*HEADER   HYPERTHERMOPHILE                        19-JAN-98   1GB4    
*TITLE    HYPERTHERMOPHILIC VARIANT OF THE B1 DOMAIN FROM             
*TITLE   2 STREPTOCOCCAL PROTEIN G, NMR, 47 STRUCTURES                
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: GB1-C3B4;                                        
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: B1 DOMAIN;                                       
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 MUTATION: V1M, Y4F, V7I, T17I, T19I, T26E, V30I, V40I;     
*COMPND  7 OTHER_DETAILS: HYPERTHERMOPHILIC VARIANT OF THE B1 DOMAIN  
*COMPND  8 FROM STREPTOCOCCAL PROTEIN G                               
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SP.;                    
*SOURCE  3 STRAIN: G148;                                              
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                      
*SOURCE  6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                    
*SOURCE  7 EXPRESSION_SYSTEM_VECTOR: PET-11;                          
*SOURCE  8 EXPRESSION_SYSTEM_PLASMID: PET-GB1C3B4;                    
*SOURCE  9 EXPRESSION_SYSTEM_GENE: GB1C3B4                            
*KEYWDS   HYPERTHERMOPHILE, STREPTOCOCCAL PROTEIN G                   
*EXPDTA   NMR, 47 STRUCTURES                                          
*AUTHOR   S.M.MALAKAUSKAS,S.L.MAYO                                    
*REVDAT  1   22-JUL-98  1GB4   0                                      
 

! residue 1    Met , intraresidue NOEs
assi (resi 1    and name HA   )  (resi 1    and name HB#  )   3.00  1.20  0.30
assi (resi 1    and name HA   )  (resi 1    and name HG#  )   4.00  2.20  1.00

! residue 1    Met , NOEs forward in sequence

! residue 2    Thr , intraresidue NOEs
! trivial: assi (resi 2    and name HN   )  (resi 2    and name HA   )   4.00  2.20  1.00
assi (resi 2    and name HN   )  (resi 2    and name HB   )   2.50  0.70  0.20
assi (resi 2    and name HN   )  (resi 2    and name HG2# )   4.00  2.20  1.00
assi (resi 2    and name HA   )  (resi 2    and name HB   )   3.00  1.20  0.30
assi (resi 2    and name HA   )  (resi 2    and name HG2# )   2.50  0.70  0.20

! residue 2    Thr , NOEs forward in sequence
assi (resi  2   and name HG2#) (resi  3   and name HA  )  4.00  2.20 1.5
assi (resi 2    and name HG2# )  (resi 21   and name HN   )   3.00  1.20  0.30
assi (resi 2    and name HG2# )  (resi 24   and name HA   )   4.00  2.20  1.00

! residue 3    Thr , intraresidue NOEs
! trivial: assi (resi 3    and name HN   )  (resi 3    and name HA   )   4.00  2.20  1.00
assi (resi 3    and name HN   )  (resi 3    and name HB   )   4.00  2.20  1.00
assi (resi 3    and name HN   )  (resi 3    and name HG2# )   4.00  2.20  1.00
assi (resi 3    and name HA   )  (resi 3    and name HB   )   3.00  1.20  0.30
assi (resi 3    and name HA   )  (resi 3    and name HG2# )   3.00  1.20  0.30
! trivial: assi (resi 3    and name HB   )  (resi 3    and name HG2# )   2.50  0.70  0.20

! residue 3    Thr , NOEs forward in sequence
assi (resi 3    and name HA   )  (resi 4    and name HN   )   4.00  2.20  1.00
assi (resi 3    and name HB   )  (resi 4    and name HN   )   4.00  2.20  1.00
assi (resi 3    and name HG2# )  (resi 19   and name HN   )   3.00  1.20  0.30

! residue 4    Phe , intraresidue NOEs
! trivial: assi (resi 4    and name HN   )  (resi 4    and name HA   )   4.00  2.20  1.00
assi (resi 4    and name HN   )  (resi 4    and name HB#  )   4.00  2.20  1.00
! trivial: assi (resi 4    and name HA   )  (resi 4    and name HB#  )   4.00  2.20  1.00
assi (resi 4    and name HA   )  (resi 4    and name HD#  )   4.00  2.20  1.00
assi (resi 4    and name HB#  )  (resi 4    and name HD#  )   3.00  1.20  0.30

! residue 4    Phe , NOEs forward in sequence
assi (resi 4    and name HN   )  (resi 5    and name HN   )   4.00  2.20  1.00
assi (resi 4    and name HA   )  (resi 5    and name HN   )   2.50  0.70  0.20
assi (resi 4    and name HB#  )  (resi 5    and name HN   )   4.00  2.20  1.00
assi (resi 4    and name HD#  )  (resi 5    and name HN   )   4.00  2.20  1.00
assi (resi 4    and name HN   )  (resi 19   and name HN   )   4.00  2.20  1.00
assi (resi  4   and name HN  ) (resi 19   and name HA  )  4.00  2.20  1.00
assi (resi 4    and name HD#  )  (resi 21   and name HN   )   4.00  2.20  1.00
assi (resi 4    and name HD#  )  (resi 21   and name HB#  )   2.50  0.70 0.7
assi (resi 4    and name HD#  )  (resi 24   and name HA   )   4.00  2.20  1.00
assi (resi 4    and name HD#  )  (resi 27   and name HB#  )   3.00  1.20 0.8
assi (resi 4    and name HA   )  (resi 31   and name HE#  )   4.00  2.20  1.00
assi (resi 4    and name HB#  )  (resi 31   and name HE#  )   3.00  1.20  0.30
assi (resi 4    and name HD#  )  (resi 46   and name HE#  )   4.00  2.20  1.00
assi (resi 4    and name HB#  )  (resi 53   and name HD#  )   4.00  2.20  1.00
assi (resi 4    and name HB#  )  (resi 53   and name HE#  )   3.00  1.20  0.30
assi (resi 4    and name HD#  )  (resi 53   and name HD#  )   4.00  2.20  1.00

! residue 5    Lys , intraresidue NOEs
! trivial: assi (resi 5    and name HN   )  (resi 5    and name HA   )   4.00  2.20  1.00
assi (resi 5    and name HN   )  (resi 5    and name HB#  )   3.00  1.20  0.30
assi (resi 5    and name HN   )  (resi 5    and name HG#  )   4.00  2.20  1.00
assi (resi 5    and name HN   )  (resi 5    and name HD#  )   4.00  2.20  1.00
assi (resi 5    and name HN   )  (resi 5    and name HE#  )   4.00  2.20  1.00
assi (resi 5    and name HA   )  (resi 5    and name HB#  )   3.00  1.20  0.30
assi (resi 5    and name HA   )  (resi 5    and name HG#  )   4.00  2.20  1.00

! residue 5    Lys , NOEs forward in sequence
assi (resi 5    and name HA   )  (resi 6    and name HB#  )   4.00  2.20  1.00
assi (resi 5    and name HB#  )  (resi 6    and name HN   )   4.00  2.20  1.00
! assi (resi 5    and name HG#  )  (resi 6    and name HN   )  undef
assi (resi 5    and name HA   )  (resi 19   and name HN   )   3.00  1.20  0.30
assi (resi 5    and name HN   )  (resi 31   and name HE#  )   4.00  2.20  1.00
assi (resi 5    and name HA   )  (resi 31   and name HZ   )   4.00  2.20  1.00
assi (resi 5    and name HA   )  (resi 31   and name HE#  )   4.00  2.20  1.00
assi (resi 5    and name HN   )  (resi 52   and name HA   )   3.00  1.20  0.30
! assi (resi 5    and name HN   )  (resi 52   and name HG2# )  undef
assi (resi 5    and name HB#  )  (resi 52   and name HA   )   3.00  1.20  0.30
assi (resi 5    and name HN   )  (resi 53   and name HN   )   4.00  2.20  1.00
assi (resi 5    and name HB#  )  (resi 53   and name HN   )   4.00  2.20  1.00

! residue 6    Leu , intraresidue NOEs
assi (resi 6    and name HN   )  (resi 6    and name HB#  )   4.00  2.20  1.00
assi (resi 6    and name HN   )  (resi 6    and name HD#  )   4.00  2.20 1.5
! trivial: assi (resi 6    and name HA   )  (resi 6    and name HB#  )   4.00  2.20  1.00
assi (resi 6    and name HA   )  (resi 6    and name HD#  )   3.00  1.20 0.8

! residue 6    Leu , NOEs forward in sequence
assi (resi 6    and name HA   )  (resi 7    and name HN   )   2.50  0.70  0.20
assi (resi 6    and name HN   )  (resi 16   and name HA   )   2.50  0.70  0.20
assi (resi 6    and name HN   )  (resi 16   and name HG#  )   4.00  2.20  1.00
assi (resi 6    and name HN   )  (resi 18   and name HA   )   4.00  2.20  1.00
assi (resi 6    and name HN   )  (resi 18   and name HG2# )   4.00  2.20  1.00
assi (resi 6    and name HN   )  (resi 31   and name HE#  )   4.00  2.20  1.00
assi (resi 6    and name HB#  )  (resi 31   and name HZ   )   4.00  2.20  1.00
assi (resi 6    and name HB#  )  (resi 31   and name HD#  )   4.00  2.20  1.00
assi (resi 6    and name HB#  )  (resi 31   and name HE#  )   4.00  2.20  1.00
assi (resi 6    and name HD#  )  (resi 31   and name HB#  )   4.00  2.20 1.5
assi (resi 6    and name HD#  )  (resi 44   and name HE3  )   4.00  2.20 1.5
assi (resi 6    and name HD#  )  (resi 44   and name HH2  )   3.00  1.20 0.8
assi (resi 6    and name HA   )  (resi 53   and name HN   )   4.00  2.20  1.00
assi (resi 6    and name HA   )  (resi 53   and name HB#  )   4.00  2.20  1.00
assi (resi 6    and name HB#  )  (resi 53   and name HB#  )   4.00  2.20  1.00
assi (resi 6    and name HB#  )  (resi 53   and name HD#  )   4.00  2.20  1.00

! residue 7    Ile , intraresidue NOEs
! trivial: assi (resi 7    and name HN   )  (resi 7    and name HA   )   4.00  2.20  1.00
assi (resi 7    and name HN   )  (resi 7    and name HB   )   3.00  1.20  0.30
assi (resi 7    and name HN   )  (resi 7    and name HG2# )   4.00  2.20  1.00
assi (resi 7    and name HA   )  (resi 7    and name HG2# )   3.00  1.20  0.30

! residue 7    Ile , NOEs forward in sequence
assi (resi 7    and name HN   )  (resi 8    and name HA   )   4.00  2.20  1.00
assi (resi 7    and name HA   )  (resi 8    and name HN   )   2.50  0.70  0.20
assi (resi  7   and name HB  ) (resi  8   and name HN  )  4.00  2.20  1.00
assi (resi 7    and name HG2# )  (resi 8    and name HN   )   4.00  2.20  1.00
assi (resi 7    and name HG2# )  (resi 9    and name HN   )   4.00  2.20  1.00
assi (resi 7    and name HG2# )  (resi 15   and name HN   )   4.00  2.20  1.00
assi (resi 7    and name HN   )  (resi 52   and name HG2# )   4.00  2.20  1.00
assi (resi 7    and name HN   )  (resi 54   and name HA   )   4.00  2.20  1.00
assi (resi 7    and name HN   )  (resi 54   and name HG2# )   4.00  2.20  1.00
assi (resi 7    and name HB   )  (resi 54   and name HA   )   3.00  1.20  0.30
assi (resi 7    and name HG2# )  (resi 54   and name HA   )   4.00  2.20  1.00
assi (resi 7    and name HN   )  (resi 55   and name HN   )   4.00  2.20  1.00
assi (resi 7    and name HB   )  (resi 55   and name HN   )   4.00  2.20  1.00

! residue 8    Ile , intraresidue NOEs
! trivial: assi (resi 8    and name HN   )  (resi 8    and name HA   )   4.00  2.20  1.00
assi (resi 8    and name HN   )  (resi 8    and name HB   )   4.00  2.20  1.00
assi (resi 8    and name HN   )  (resi 8    and name HG2# )   4.00  2.20  1.00
assi (resi 8    and name HN   )  (resi 8    and name HG1# )   4.00  2.20  1.00
assi (resi 8    and name HA   )  (resi 8    and name HG2# )   3.00  1.20  0.30
assi (resi 8    and name HA   )  (resi 8    and name HD1# )   3.00  1.20  0.30
assi (resi 8    and name HA   )  (resi 8    and name HG1# )   3.00  1.20  0.30
! trivial: assi (resi 8    and name HB   )  (resi 8    and name HG2# )   2.50  0.70  0.20
! trivial: assi (resi 8    and name HD1# )  (resi 8    and name HG1# )   2.50  0.70  0.20

! residue 8    Ile , NOEs forward in sequence
assi (resi 8    and name HA   )  (resi 9    and name HN   )   2.50  0.70  0.20
assi (resi 8    and name HB   )  (resi 9    and name HA   )   4.00  2.20  1.00
assi (resi 8    and name HG2# )  (resi 9    and name HN   )   4.00  2.20  1.00
assi (resi 8    and name HD1# )  (resi 13   and name HD#  )   2.50  0.70 0.7
assi (resi 8    and name HN   )  (resi 14   and name HA   )   4.00  2.20  1.00
assi (resi 8    and name HN   )  (resi 15   and name HN   )   4.00  2.20  1.00
assi (resi 8    and name HB   )  (resi 15   and name HN   )   3.00  1.20  0.30
assi (resi 8    and name HG2# )  (resi 15   and name HN   )   4.00  2.20  1.00
assi (resi 8    and name HA   )  (resi 55   and name HN   )   4.00  2.20  1.00
assi (resi 8    and name HA   )  (resi 55   and name HG#  )   3.00  1.20 0.8
! assi (resi 8    and name HG2# )  (resi 55   and name HN   )  undef
assi (resi 8    and name HG2# )  (resi 55   and name HG#  )   2.50  0.70 0.7

! residue 9    Asn , intraresidue NOEs
! trivial: assi (resi 9    and name HN   )  (resi 9    and name HA   )   4.00  2.20  1.00
assi (resi 9    and name HN   )  (resi 9    and name HB#  )   4.00  2.20  1.00
assi (resi 9    and name HA   )  (resi 9    and name HB#  )   3.00  1.20  0.30
assi (resi 9    and name HA   )  (resi 9    and name HD2# )   4.00  2.20  1.00
assi (resi 9    and name HB#  )  (resi 9    and name HD2# )   4.00  2.20  1.00
! trivial: assi (resi 9    and name HD2# )  (resi 9    and name HD2# )   2.50  0.70  0.20

! residue 9    Asn , NOEs forward in sequence
assi (resi 9    and name HA   )  (resi 10   and name HN   )   3.00  1.20  0.30
assi (resi 9    and name HN   )  (resi 55   and name HN   )   4.00  2.20  1.00
assi (resi 9    and name HN   )  (resi 55   and name HG#  )   4.00  2.20 1.5
assi (resi 9    and name HB#  )  (resi 56   and name HA   )   4.00  2.20  1.00
assi (resi 9    and name HD2# )  (resi 56   and name HG2# )   3.00  1.20  0.30
assi (resi 9    and name HB#  )  (resi 57   and name HN   )   4.00  2.20  1.00

! residue 10   Gly , intraresidue NOEs
assi (resi 10   and name HN   )  (resi 10   and name HA#  )   3.00  1.20  0.30

! residue 10   Gly , NOEs forward in sequence
assi (resi 10   and name HN   )  (resi 11   and name HN   )   4.00  2.20  1.00
assi (resi 10   and name HA#  )  (resi 11   and name HN   )   3.00  1.20  0.30
assi (resi 10   and name HA#  )  (resi 12   and name HN   )   4.00  2.20  1.00
assi (resi 10   and name HA#  )  (resi 57   and name HN   )   3.00  1.20  0.30

! residue 11   Lys , intraresidue NOEs
! trivial: assi (resi 11   and name HN   )  (resi 11   and name HA   )   4.00  2.20  1.00
assi (resi 11   and name HN   )  (resi 11   and name HG#  )   3.00  1.20  0.30
assi (resi 11   and name HN   )  (resi 11   and name HD#  )   4.00  2.20  1.00
assi (resi 11   and name HA   )  (resi 11   and name HB#  )   2.50  0.70  0.20
assi (resi 11   and name HA  ) (resi 11   and name HG# )  4.00  2.20  1.00
assi (resi 11   and name HG#  )  (resi 11   and name HE#  )   4.00  2.20  1.00
assi (resi 11   and name HD#  )  (resi 11   and name HE#  )   3.00  1.20  0.30

! residue 11   Lys , NOEs forward in sequence
assi (resi 11   and name HN   )  (resi 12   and name HN   )   2.50  0.70  0.20
assi (resi 11   and name HG#  )  (resi 12   and name HA   )   4.00  2.20  1.00
assi (resi 11   and name HN   )  (resi 57   and name HB#  )   4.00  2.20  1.00

! residue 12   Thr , intraresidue NOEs
assi (resi 12   and name HN   )  (resi 12   and name HA   )   3.00  1.20  0.30
assi (resi 12   and name HN   )  (resi 12   and name HG2# )   4.00  2.20  1.00
assi (resi 12   and name HA   )  (resi 12   and name HG2# )   2.50  0.70  0.20

! residue 12   Thr , NOEs forward in sequence
assi (resi 12   and name HA   )  (resi 13   and name HN   )   4.00  2.20  1.00
assi (resi 12   and name HA   )  (resi 13   and name HG   )   4.00  2.20  1.00

! residue 13   Leu , intraresidue NOEs
assi (resi 13   and name HN   )  (resi 13   and name HG   )   4.00  2.20  1.00
assi (resi 13   and name HN   )  (resi 13   and name HB#  )   4.00  2.20  1.00
assi (resi 13   and name HN   )  (resi 13   and name HD#  )   4.00  2.20 1.5
! trivial: assi (resi 13   and name HA   )  (resi 13   and name HB#  )   4.00  2.20  1.00
assi (resi 13   and name HG   )  (resi 13   and name HB#  )   2.50  0.70  0.20
assi (resi 13   and name HB#  )  (resi 13   and name HD#  )   4.00  2.20 1.5

! residue 13   Leu , NOEs forward in sequence
assi (resi 13   and name HD#  )  (resi 34   and name HD#  )   4.00  2.20 1.5
assi (resi 13   and name HD#  )  (resi 34   and name HE#  )   3.00  1.20 0.8
assi (resi 13   and name HB#  )  (resi 40   and name HD1# )   3.00  1.20  0.30
assi (resi 13   and name HD#  )  (resi 40   and name HD1# )   2.50  0.70 0.7

! residue 14   Lys , intraresidue NOEs
assi (resi 14   and name HN   )  (resi 14   and name HA   )   2.50  0.70  0.20
assi (resi 14   and name HN   )  (resi 14   and name HB#  )   4.00  2.20  1.00
assi (resi 14   and name HN   )  (resi 14   and name HG#  )   3.00  1.20  0.30
! trivial: assi (resi 14   and name HA   )  (resi 14   and name HB#  )   4.00  2.20  1.00
assi (resi 14   and name HA   )  (resi 14   and name HG#  )   4.00  2.20  1.00
assi (resi 14   and name HA   )  (resi 14   and name HD#  )   4.00  2.20  1.00
assi (resi 14   and name HA   )  (resi 14   and name HE#  )   4.00  2.20  1.00
assi (resi 14   and name HG#  )  (resi 14   and name HE#  )   4.00  2.20  1.00

! residue 14   Lys , NOEs forward in sequence
assi (resi 14   and name HN   )  (resi 15   and name HN   )   4.00  2.20  1.00
assi (resi 14   and name HA   )  (resi 15   and name HN   )   3.00  1.20  0.30

! residue 15   Gly , intraresidue NOEs
! trivial: assi (resi 15   and name HN   )  (resi 15   and name HA#  )   4.00  2.20  1.00

! residue 15   Gly , NOEs forward in sequence

! residue 16   Glu , intraresidue NOEs
! trivial: assi (resi 16   and name HN   )  (resi 16   and name HA   )   4.00  2.20  1.00
assi (resi 16   and name HN   )  (resi 16   and name HB#  )   2.50  0.70  0.20
assi (resi 16   and name HN   )  (resi 16   and name HG#  )   4.00  2.20  1.00
assi (resi 16   and name HA   )  (resi 16   and name HB#  )   3.00  1.20  0.30
assi (resi 16   and name HA   )  (resi 16   and name HG#  )   4.00  2.20  1.00

! residue 16   Glu , NOEs forward in sequence

! residue 17   Ile , intraresidue NOEs

! residue 17   Ile , NOEs forward in sequence

! residue 18   Thr , intraresidue NOEs
! trivial: assi (resi 18   and name HN   )  (resi 18   and name HA   )   4.00  2.20  1.00
assi (resi 18   and name HN   )  (resi 18   and name HG2# )   4.00  2.20  1.00
! trivial: assi (resi 18   and name HA   )  (resi 18   and name HB   )   4.00  2.20  1.00
assi (resi 18   and name HA   )  (resi 18   and name HG2# )   4.00  2.20  1.00
! trivial: assi (resi 18   and name HB   )  (resi 18   and name HG2# )   2.50  0.70  0.20

! residue 18   Thr , NOEs forward in sequence

! residue 19   Ile , intraresidue NOEs
! trivial: assi (resi 19   and name HN   )  (resi 19   and name HA   )   4.00  2.20  1.00
assi (resi 19   and name HN   )  (resi 19   and name HG1# )   4.00  2.20  1.00
assi (resi 19   and name HA   )  (resi 19   and name HD1# )   4.00  2.20  1.00
assi (resi 19   and name HA  ) (resi 19   and name HG1#)  4.00  2.20  1.00
! trivial: assi (resi 19   and name HD1# )  (resi 19   and name HG1# )   3.00  1.20  0.30

! residue 19   Ile , NOEs forward in sequence
assi (resi 19   and name HD1# )  (resi 21   and name HB#  )   3.00  1.20 0.8
assi (resi 19   and name HD1# )  (resi 27   and name HA   )   3.00  1.20  0.30
assi (resi 19   and name HD1# )  (resi 27   and name HB#  )   2.50  0.70 0.7
assi (resi 19   and name HD1# )  (resi 30   and name HB   )   4.00  2.20  1.00
assi (resi 19   and name HD1# )  (resi 30   and name HD1# )   2.50  0.70  0.20
assi (resi 19   and name HN   )  (resi 31   and name HZ   )   4.00  2.20  1.00
assi (resi 19   and name HD1# )  (resi 31   and name HN   )   4.00  2.20  1.00
assi (resi 19   and name HD1# )  (resi 31   and name HZ   )   4.00  2.20  1.00
assi (resi 19   and name HD1# )  (resi 31   and name HD#  )   4.00  2.20  1.00
assi (resi 19   and name HD1# )  (resi 31   and name HE#  )   4.00  2.20  1.00
assi (resi 19   and name HG1# )  (resi 31   and name HZ   )   4.00  2.20  1.00
assi (resi 19   and name HG1# )  (resi 31   and name HE#  )   3.00  1.20  0.30

! residue 20   Glu , intraresidue NOEs
assi (resi 20   and name HN   )  (resi 20   and name HA   )   3.00  1.20  0.30
assi (resi 20   and name HN   )  (resi 20   and name HB#  )   4.00  2.20  1.00
assi (resi 20   and name HA   )  (resi 20   and name HB#  )   3.00  1.20  0.30
assi (resi 20   and name HA   )  (resi 20   and name HG#  )   4.00  2.20  1.00

! residue 20   Glu , NOEs forward in sequence

! residue 21   Ala , intraresidue NOEs
assi (resi 21   and name HN   )  (resi 21   and name HA   )   3.00  1.20  0.30
assi (resi 21   and name HN   )  (resi 21   and name HB#  )   4.00  2.20 1.5

! residue 21   Ala , NOEs forward in sequence
assi (resi 21   and name HN   )  (resi 22   and name HN   )   4.00  2.20  1.00
assi (resi 21   and name HN   )  (resi 22   and name HA   )   4.00  2.20  1.00
assi (resi 21   and name HA   )  (resi 22   and name HN   )   2.50  0.70  0.20
assi (resi 21   and name HB#  )  (resi 22   and name HN   )   3.00  1.20 0.8
assi (resi 21   and name HB#  )  (resi 23   and name HN   )   3.00  1.20 0.8
assi (resi 21   and name HB#  )  (resi 26   and name HB#  )   4.00  2.20 1.5
assi (resi 21   and name HB#  )  (resi 27   and name HN   )   4.00  2.20 1.5

! residue 22   Val , intraresidue NOEs
assi (resi 22   and name HN   )  (resi 22   and name HA   )   2.50  0.70  0.20
assi (resi 22   and name HN   )  (resi 22   and name HB   )   2.50  0.70  0.20
assi (resi 22   and name HN   )  (resi 22   and name HG#  )   4.00  2.20 1.5
assi (resi 22   and name HA   )  (resi 22   and name HB   )   2.50  0.70  0.20
assi (resi 22   and name HA   )  (resi 22   and name HG#  )   3.00  1.20 0.8

! residue 22   Val , NOEs forward in sequence
assi (resi 22   and name HN   )  (resi 23   and name HN   )   4.00  2.20  1.00
assi (resi 22   and name HA   )  (resi 23   and name HN   )   4.00  2.20  1.00
assi (resi 22   and name HB  ) (resi 23   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HG#  )  (resi 23   and name HN   )   3.00  1.20 0.8
assi (resi 22   and name HG#  )  (resi 27   and name HN   )   4.00  2.20 1.5

! residue 23   Asp , intraresidue NOEs
! trivial: assi (resi 23   and name HN   )  (resi 23   and name HA   )   4.00  2.20  1.00
assi (resi 23   and name HN   )  (resi 23   and name HB#  )   4.00  2.20  1.00
assi (resi 23   and name HA   )  (resi 23   and name HB#  )   3.00  1.20  0.30

! residue 23   Asp , NOEs forward in sequence
assi (resi 23   and name HN   )  (resi 24   and name HN   )   4.00  2.20  1.00
assi (resi 23   and name HN   )  (resi 24   and name HA   )   4.00  2.20  1.00
assi (resi 23   and name HA   )  (resi 24   and name HN   )   3.00  1.20  0.30
assi (resi 23   and name HB#  )  (resi 24   and name HN   )   2.50  0.70  0.20
assi (resi 23   and name HN   )  (resi 25   and name HN   )   4.00  2.20  1.00
assi (resi 23   and name HA   )  (resi 25   and name HN   )   4.00  2.20  1.00
assi (resi 23   and name HB#  )  (resi 25   and name HN   )   4.00  2.20  1.00
assi (resi 23   and name HN   )  (resi 26   and name HN   )   4.00  2.20  1.00
assi (resi 23   and name HN   )  (resi 26   and name HB#  )   2.50  0.70  0.20

! residue 24   Ala , intraresidue NOEs
! trivial: assi (resi 24   and name HN   )  (resi 24   and name HA   )   4.00  2.20  1.00
assi (resi 24   and name HN   )  (resi 24   and name HB#  )   3.00  1.20 0.8
! trivial: assi (resi 24   and name HA   )  (resi 24   and name HB#  )   2.50  0.70  0.20

! residue 24   Ala , NOEs forward in sequence
assi (resi 24   and name HN   )  (resi 25   and name HN   )   4.00  2.20  1.00
assi (resi 24   and name HA   )  (resi 25   and name HN   )   4.00  2.20  1.00
assi (resi 24   and name HN   )  (resi 26   and name HN   )   4.00  2.20  1.00
assi (resi 24   and name HA   )  (resi 27   and name HB#  )   2.50  0.70 0.7
assi (resi 24   and name HA   )  (resi 46   and name HE#  )   4.00  2.20  1.00
assi (resi 24   and name HB#  )  (resi 46   and name HE#  )   4.00  2.20 1.5
assi (resi 24   and name HA   )  (resi 53   and name HZ   )   4.00  2.20  1.00
assi (resi 24   and name HB#  )  (resi 53   and name HZ   )   3.00  1.20 0.8
assi (resi 24   and name HB#  )  (resi 53   and name HE#  )   3.00  1.20 0.8

! residue 25   Ala , intraresidue NOEs
assi (resi 25   and name HN   )  (resi 25   and name HA   )   2.50  0.70  0.20
assi (resi 25   and name HN   )  (resi 25   and name HB#  )   2.50  0.70 0.7
! trivial: assi (resi 25   and name HA   )  (resi 25   and name HB#  )   2.50  0.70  0.20

! residue 25   Ala , NOEs forward in sequence
assi (resi 25   and name HN   )  (resi 26   and name HN   )   3.00  1.20  0.30
assi (resi 25   and name HN  ) (resi 26   and name HB# )  4.00  2.20  1.00
assi (resi 25   and name HB#  )  (resi 26   and name HN   )   3.00  1.20 0.8
assi (resi 25   and name HN   )  (resi 27   and name HN   )   4.00  2.20  1.00
assi (resi 25   and name HA   )  (resi 28   and name HN   )   4.00  2.20  1.00

! residue 26   Glu , intraresidue NOEs
assi (resi 26   and name HN   )  (resi 26   and name HA   )   3.00  1.20  0.30
assi (resi 26   and name HN   )  (resi 26   and name HB#  )   2.50  0.70  0.20
! trivial: assi (resi 26   and name HA   )  (resi 26   and name HB#  )   4.00  2.20  1.00

! residue 26   Glu , NOEs forward in sequence
assi (resi 26   and name HN   )  (resi 27   and name HN   )   3.00  1.20  0.30
assi (resi 26   and name HN   )  (resi 27   and name HB#  )   4.00  2.20 1.5
assi (resi 26   and name HA   )  (resi 27   and name HN   )   4.00  2.20  1.00
assi (resi 26   and name HA   )  (resi 27   and name HA   )   4.00  2.20  1.00
assi (resi 26   and name HB#  )  (resi 27   and name HN   )   3.00  1.20  0.30
assi (resi 26   and name HN   )  (resi 28   and name HN   )   4.00  2.20  1.00
assi (resi 26   and name HA   )  (resi 29   and name HN   )   3.00  1.20  0.30
assi (resi 26   and name HA   )  (resi 29   and name HD#  )   4.00  2.20  1.00
assi (resi 26   and name HA   )  (resi 30   and name HN   )   4.00  2.20  1.00

! residue 27   Ala , intraresidue NOEs
assi (resi 27   and name HN   )  (resi 27   and name HA   )   3.00  1.20  0.30
assi (resi 27   and name HN   )  (resi 27   and name HB#  )   2.50  0.70 0.7

! residue 27   Ala , NOEs forward in sequence
assi (resi 27   and name HN   )  (resi 28   and name HN   )   4.00  2.20  1.00
assi (resi 27   and name HB#  )  (resi 28   and name HN   )   3.00  1.20 0.8
assi (resi 27   and name HN   )  (resi 29   and name HN   )   4.00  2.20  1.00
assi (resi 27   and name HN   )  (resi 30   and name HB   )   4.00  2.20  1.00
assi (resi 27   and name HN   )  (resi 30   and name HD1# )   4.00  2.20  1.00
assi (resi 27   and name HA   )  (resi 30   and name HB   )   3.00  1.20  0.30
assi (resi 27   and name HA   )  (resi 30   and name HD1# )   3.00  1.20  0.30
assi (resi 27   and name HA   )  (resi 30   and name HG1# )   4.00  2.20  1.00
assi (resi 27   and name HA   )  (resi 31   and name HN   )   4.00  2.20  1.00
assi (resi 27   and name HB#  )  (resi 31   and name HN   )   4.00  2.20 1.5
assi (resi 27   and name HB#  )  (resi 31   and name HD#  )   2.50  0.70 0.7
assi (resi 27   and name HB#  )  (resi 53   and name HZ   )   4.00  2.20 1.5
assi (resi 27   and name HB#  )  (resi 53   and name HE#  )   2.50  0.70 0.7

! residue 28   Glu , intraresidue NOEs
! trivial: assi (resi 28   and name HN   )  (resi 28   and name HA   )   4.00  2.20  1.00
assi (resi 28   and name HN   )  (resi 28   and name HB#  )   3.00  1.20  0.30
assi (resi 28   and name HN  ) (resi 28   and name HG# )  4.00  2.20  1.00
assi (resi 28   and name HA   )  (resi 28   and name HB#  )   3.00  1.20  0.30
assi (resi 28   and name HA   )  (resi 28   and name HG#  )   2.50  0.70  0.20

! residue 28   Glu , NOEs forward in sequence
assi (resi 28   and name HN   )  (resi 29   and name HN   )   4.00  2.20  1.00
assi (resi 28   and name HA   )  (resi 29   and name HN   )   4.00  2.20  1.00
assi (resi 28   and name HG# ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 28   and name HA   )  (resi 32   and name HN   )   4.00  2.20  1.00
assi (resi 28   and name HG#  )  (resi 44   and name HZ3  )   4.00  2.20  1.00
assi (resi 28   and name HN   )  (resi 53   and name HZ   )   4.00  2.20  1.00
assi (resi 28   and name HN   )  (resi 53   and name HE#  )   4.00  2.20  1.00
assi (resi 28   and name HA   )  (resi 53   and name HZ   )   4.00  2.20  1.00
assi (resi 28   and name HB#  )  (resi 53   and name HZ   )   4.00  2.20  1.00
assi (resi 28   and name HB#  )  (resi 53   and name HE#  )   3.00  1.20  0.30
assi (resi 28   and name HG#  )  (resi 53   and name HZ   )   4.00  2.20  1.00
assi (resi 28   and name HG#  )  (resi 53   and name HD#  )   2.50  0.70  0.20
assi (resi 28   and name HG#  )  (resi 53   and name HE#  )   2.50  0.70  0.20

! residue 29   Lys , intraresidue NOEs
! trivial: assi (resi 29   and name HN   )  (resi 29   and name HA   )   4.00  2.20  1.00
assi (resi 29   and name HN   )  (resi 29   and name HB#  )   2.50  0.70  0.20
assi (resi 29   and name HN   )  (resi 29   and name HG#  )   3.00  1.20  0.30
assi (resi 29   and name HN   )  (resi 29   and name HD#  )   4.00  2.20  1.00
assi (resi 29   and name HA   )  (resi 29   and name HB#  )   2.50  0.70  0.20
assi (resi 29   and name HA   )  (resi 29   and name HG#  )   4.00  2.20  1.00
assi (resi 29   and name HA   )  (resi 29   and name HE#  )   3.00  1.20  0.30

! residue 29   Lys , NOEs forward in sequence
assi (resi 29   and name HN   )  (resi 30   and name HN   )   3.00  1.20  0.30
assi (resi 29   and name HN   )  (resi 30   and name HB   )   4.00  2.20  1.00
assi (resi 29   and name HA   )  (resi 30   and name HN   )   4.00  2.20  1.00
assi (resi 29   and name HB#  )  (resi 30   and name HN   )   4.00  2.20  1.00
assi (resi 29   and name HG#  )  (resi 30   and name HN   )   4.00  2.20  1.00
assi (resi 29   and name HN   )  (resi 31   and name HN   )   4.00  2.20  1.00
assi (resi 29   and name HA   )  (resi 32   and name HN   )   4.00  2.20  1.00
assi (resi 29   and name HA   )  (resi 32   and name HB#  )   4.00  2.20  1.00
assi (resi 29   and name HA   )  (resi 33   and name HN   )   4.00  2.20  1.00

! residue 30   Ile , intraresidue NOEs
! trivial: assi (resi 30   and name HN   )  (resi 30   and name HA   )   4.00  2.20  1.00
assi (resi 30   and name HN   )  (resi 30   and name HB   )   3.00  1.20  0.30
assi (resi 30   and name HN   )  (resi 30   and name HG2# )   4.00  2.20  1.00
assi (resi 30   and name HN   )  (resi 30   and name HD1# )   4.00  2.20  1.00
assi (resi 30   and name HN   )  (resi 30   and name HG1# )   3.00  1.20  0.30
! trivial: assi (resi 30   and name HA   )  (resi 30   and name HB   )   4.00  2.20  1.00
assi (resi 30   and name HA   )  (resi 30   and name HG2# )   3.00  1.20  0.30
assi (resi 30   and name HA   )  (resi 30   and name HG1# )   3.00  1.20  0.30

! residue 30   Ile , NOEs forward in sequence
assi (resi 30   and name HN   )  (resi 31   and name HN   )   4.00  2.20  1.00
assi (resi 30   and name HN   )  (resi 31   and name HB#  )   4.00  2.20  1.00
! assi (resi 30   and name HA   )  (resi 31   and name HN   )  undef
assi (resi 30   and name HB   )  (resi 31   and name HN   )   3.00  1.20  0.30
assi (resi 30   and name HG2# )  (resi 31   and name HN   )   4.00  2.20  1.00
assi (resi 30   and name HG1# )  (resi 31   and name HN   )   4.00  2.20  1.00
assi (resi 30   and name HN   )  (resi 32   and name HN   )   4.00  2.20  1.00
assi (resi 30   and name HN  ) (resi 33   and name HN  )  4.00  2.20  1.00
assi (resi 30   and name HA   )  (resi 33   and name HN   )   4.00  2.20  1.00
assi (resi 30   and name HA   )  (resi 33   and name HB#  )   4.00  2.20  1.00
assi (resi 30   and name HG2# )  (resi 34   and name HN   )   4.00  2.20  1.00

! residue 31   Phe , intraresidue NOEs
! trivial: assi (resi 31   and name HN   )  (resi 31   and name HA   )   4.00  2.20  1.00
assi (resi 31   and name HN   )  (resi 31   and name HB#  )   3.00  1.20  0.30
assi (resi 31   and name HN   )  (resi 31   and name HD#  )   4.00  2.20  1.00
assi (resi 31   and name HA   )  (resi 31   and name HB#  )   3.00  1.20  0.30
assi (resi 31   and name HA   )  (resi 31   and name HD#  )   2.50  0.70  0.20
! trivial: assi (resi 31   and name HZ   )  (resi 31   and name HD#  )   4.00  2.20  1.00
! trivial: assi (resi 31   and name HZ   )  (resi 31   and name HE#  )   2.50  0.70  0.20
assi (resi 31   and name HB#  )  (resi 31   and name HD#  )   2.50  0.70  0.20
! trivial: assi (resi 31   and name HD#  )  (resi 31   and name HE#  )   2.50  0.70  0.20

! residue 31   Phe , NOEs forward in sequence
assi (resi 31   and name HN   )  (resi 32   and name HN   )   2.50  0.70  0.20
assi (resi 31   and name HA   )  (resi 32   and name HN   )   4.00  2.20  1.00
assi (resi 31   and name HB#  )  (resi 32   and name HN   )   3.00  1.20  0.30
assi (resi 31   and name HD#  )  (resi 32   and name HN   )   4.00  2.20  1.00
assi (resi 31   and name HN   )  (resi 33   and name HN   )   4.00  2.20  1.00
assi (resi 31   and name HA   )  (resi 34   and name HB#  )   4.00  2.20  1.00
assi (resi 31   and name HA   )  (resi 34   and name HD#  )   4.00  2.20  1.00
assi (resi 31   and name HD# ) (resi 34   and name HB# )  4.00  2.20  1.00
assi (resi 31   and name HA   )  (resi 35   and name HN   )   4.00  2.20  1.00
assi (resi 31   and name HB#  )  (resi 44   and name HH2  )   4.00  2.20  1.00
assi (resi 31   and name HD#  )  (resi 53   and name HD#  )   4.00  2.20  1.00

! residue 32   Lys , intraresidue NOEs
assi (resi 32   and name HN   )  (resi 32   and name HA   )   2.50  0.70  0.20
assi (resi 32   and name HN   )  (resi 32   and name HB#  )   3.00  1.20  0.30
assi (resi 32   and name HN   )  (resi 32   and name HG#  )   4.00  2.20  1.00
assi (resi 32   and name HA   )  (resi 32   and name HB#  )   2.50  0.70  0.20
assi (resi 32   and name HA   )  (resi 32   and name HG#  )   3.00  1.20  0.30
assi (resi 32   and name HA   )  (resi 32   and name HD#  )   4.00  2.20  1.00
assi (resi 32   and name HA  ) (resi 32   and name HE# )  4.00  2.20  1.00

! residue 32   Lys , NOEs forward in sequence
assi (resi 32   and name HN   )  (resi 33   and name HN   )   4.00  2.20  1.00
assi (resi 32   and name HB#  )  (resi 33   and name HN   )   4.00  2.20  1.00
assi (resi 32   and name HG#  )  (resi 33   and name HN   )   4.00  2.20  1.00
assi (resi 32   and name HN   )  (resi 34   and name HN   )   4.00  2.20  1.00
assi (resi 32   and name HA   )  (resi 35   and name HN   )   4.00  2.20  1.00
assi (resi 32   and name HA   )  (resi 35   and name HB#  )   2.50  0.70 0.7
assi (resi 32   and name HA   )  (resi 44   and name HZ2  )   3.00  1.20  0.30
assi (resi 32   and name HA   )  (resi 44   and name HH2  )   4.00  2.20  1.00
assi (resi 32   and name HG#  )  (resi 44   and name HZ3  )   3.00  1.20  0.30

! residue 33   Gln , intraresidue NOEs
assi (resi 33   and name HN   )  (resi 33   and name HA   )   3.00  1.20  0.30
assi (resi 33   and name HN   )  (resi 33   and name HB#  )   2.50  0.70  0.20
assi (resi 33   and name HN   )  (resi 33   and name HG#  )   4.00  2.20  1.00
assi (resi 33   and name HA   )  (resi 33   and name HB#  )   2.50  0.70  0.20
assi (resi 33   and name HA   )  (resi 33   and name HG#  )   3.00  1.20  0.30

! residue 33   Gln , NOEs forward in sequence
assi (resi 33   and name HN   )  (resi 34   and name HN   )   3.00  1.20  0.30
assi (resi 33   and name HN  ) (resi 34   and name HB# )  3.00  1.20  0.30
assi (resi 33   and name HN  ) (resi 34   and name HB# )  3.00  1.20  0.30
assi (resi 33   and name HN  ) (resi 34   and name HB# )  3.00  1.20  0.30
assi (resi 33   and name HA   )  (resi 34   and name HN   )   4.00  2.20  1.00
assi (resi 33   and name HB#  )  (resi 34   and name HN   )   4.00  2.20  1.00
assi (resi 33   and name HN   )  (resi 35   and name HN   )   4.00  2.20  1.00
assi (resi 33   and name HA   )  (resi 36   and name HN   )   4.00  2.20  1.00
assi (resi 33   and name HA   )  (resi 36   and name HB#  )   3.00  1.20  0.30

! residue 34   Tyr , intraresidue NOEs
! trivial: assi (resi 34   and name HN   )  (resi 34   and name HA   )   4.00  2.20  1.00
assi (resi 34   and name HN   )  (resi 34   and name HB#  )   3.00  1.20  0.30
assi (resi 34   and name HN   )  (resi 34   and name HD#  )   4.00  2.20  1.00
assi (resi 34   and name HA   )  (resi 34   and name HB#  )   3.00  1.20  0.30
assi (resi 34   and name HA   )  (resi 34   and name HD#  )   4.00  2.20  1.00
assi (resi 34   and name HB#  )  (resi 34   and name HD#  )   3.00  1.20  0.30
! trivial: assi (resi 34   and name HD#  )  (resi 34   and name HE#  )   2.50  0.70  0.20

! residue 34   Tyr , NOEs forward in sequence
assi (resi 34   and name HN   )  (resi 35   and name HN   )   4.00  2.20  1.00
assi (resi 34   and name HA   )  (resi 35   and name HN   )   4.00  2.20  1.00
assi (resi 34   and name HB#  )  (resi 35   and name HN   )   3.00  1.20  0.30
assi (resi 34   and name HD#  )  (resi 35   and name HN   )   4.00  2.20  1.00
assi (resi 34   and name HD#  )  (resi 35   and name HA   )   4.00  2.20  1.00
assi (resi 34   and name HD#  )  (resi 35   and name HB#  )   4.00  2.20 1.5
! assi (resi 34   and name HE#  )  (resi 35   and name HA   )  undef
assi (resi 34   and name HA   )  (resi 37   and name HN   )   4.00  2.20  1.00
assi (resi 34   and name HA   )  (resi 37   and name HB#  )   4.00  2.20  1.00
! assi (resi 34   and name HD#  )  (resi 38   and name HB#  )  undef

! residue 35   Ala , intraresidue NOEs
! trivial: assi (resi 35   and name HN   )  (resi 35   and name HA   )   4.00  2.20  1.00
assi (resi 35   and name HN   )  (resi 35   and name HB#  )   3.00  1.20 0.8
! trivial: assi (resi 35   and name HA   )  (resi 35   and name HB#  )   2.50  0.70  0.20

! residue 35   Ala , NOEs forward in sequence
assi (resi 35   and name HN   )  (resi 36   and name HN   )   4.00  2.20  1.00
assi (resi 35   and name HN   )  (resi 36   and name HB#  )   4.00  2.20  1.00
assi (resi 35   and name HA   )  (resi 36   and name HN   )   4.00  2.20  1.00
assi (resi 35   and name HB#  )  (resi 36   and name HN   )   3.00  1.20 0.8
assi (resi 35   and name HB#  )  (resi 36   and name HD2# )   3.00  1.20 0.8
assi (resi 35   and name HN   )  (resi 38   and name HN   )   4.00  2.20  1.00
assi (resi 35   and name HA   )  (resi 38   and name HN   )   4.00  2.20  1.00
assi (resi 35   and name HA   )  (resi 40   and name HB   )   3.00  1.20  0.30
assi (resi 35   and name HA   )  (resi 40   and name HG2# )   3.00  1.20  0.30
assi (resi 35   and name HA   )  (resi 40   and name HD1# )   3.00  1.20  0.30
assi (resi 35   and name HB#  )  (resi 40   and name HN   )   3.00  1.20 0.8
assi (resi 35   and name HN   )  (resi 44   and name HZ2  )   4.00  2.20  1.00
assi (resi 35   and name HN   )  (resi 44   and name HH2  )   4.00  2.20  1.00
assi (resi 35   and name HB#  )  (resi 44   and name HE1  )   4.00  2.20 1.5
assi (resi 35   and name HB#  )  (resi 44   and name HZ2  )   2.50  0.70 0.7
assi (resi 35   and name HB#  )  (resi 44   and name HH2  )   3.00  1.20 0.8
assi (resi 35   and name HB#  )  (resi 55   and name HG#  )   3.00  1.20 0.8
assi (resi 35   and name HB#  )  (resi 55   and name HG#  )   3.00  1.20 0.8

! residue 36   Asn , intraresidue NOEs
assi (resi 36   and name HN   )  (resi 36   and name HA   )   3.00  1.20  0.30
assi (resi 36   and name HN   )  (resi 36   and name HB#  )   3.00  1.20  0.30
assi (resi 36   and name HA   )  (resi 36   and name HB#  )   2.50  0.70  0.20
assi (resi 36   and name HB#  )  (resi 36   and name HD2# )   4.00  2.20  1.00
! trivial: assi (resi 36   and name HD2# )  (resi 36   and name HD2# )   2.50  0.70  0.20

! residue 36   Asn , NOEs forward in sequence
assi (resi 36   and name HA   )  (resi 37   and name HN   )   4.00  2.20  1.00
assi (resi 36   and name HB#  )  (resi 37   and name HN   )   2.50  0.70  0.20
assi (resi 36   and name HB#  )  (resi 38   and name HN   )   4.00  2.20  1.00
assi (resi 36   and name HA   )  (resi 39   and name HN   )   4.00  2.20  1.00

! residue 37   Asp , intraresidue NOEs
assi (resi 37   and name HN   )  (resi 37   and name HA   )   3.00  1.20  0.30
assi (resi 37   and name HA   )  (resi 37   and name HB#  )   3.00  1.20  0.30

! residue 37   Asp , NOEs forward in sequence
assi (resi 37   and name HN   )  (resi 38   and name HN   )   4.00  2.20  1.00
assi (resi 37   and name HA   )  (resi 38   and name HN   )   3.00  1.20  0.30
assi (resi 37   and name HB#  )  (resi 38   and name HB#  )   4.00  2.20  1.00

! residue 38   Asn , intraresidue NOEs
assi (resi 38   and name HN   )  (resi 38   and name HA   )   2.50  0.70  0.20
assi (resi 38   and name HN   )  (resi 38   and name HB#  )   3.00  1.20  0.30
! trivial: assi (resi 38   and name HA   )  (resi 38   and name HB#  )   4.00  2.20  1.00

! residue 38   Asn , NOEs forward in sequence
assi (resi 38   and name HN   )  (resi 39   and name HN   )   3.00  1.20  0.30
assi (resi 38   and name HA   )  (resi 39   and name HN   )   4.00  2.20  1.00
assi (resi 38   and name HB#  )  (resi 39   and name HN   )   4.00  2.20  1.00
assi (resi 38   and name HN   )  (resi 40   and name HN   )   4.00  2.20  1.00

! residue 39   Gly , intraresidue NOEs
assi (resi 39   and name HN   )  (resi 39   and name HA#  )   2.50  0.70  0.20

! residue 39   Gly , NOEs forward in sequence
assi (resi 39   and name HN   )  (resi 40   and name HN   )   4.00  2.20  1.00
assi (resi 39   and name HN   )  (resi 40   and name HD1# )   4.00  2.20  1.00
assi (resi 39   and name HA#  )  (resi 40   and name HN   )   3.00  1.20  0.30

! residue 40   Ile , intraresidue NOEs
assi (resi 40   and name HN   )  (resi 40   and name HA   )   3.00  1.20  0.30
assi (resi 40   and name HN   )  (resi 40   and name HB   )   3.00  1.20  0.30
assi (resi 40   and name HN   )  (resi 40   and name HG2# )   4.00  2.20  1.00
assi (resi 40   and name HN   )  (resi 40   and name HD1# )   4.00  2.20  1.00
assi (resi 40   and name HN   )  (resi 40   and name HG1# )   4.00  2.20  1.00
! trivial: assi (resi 40   and name HA   )  (resi 40   and name HB   )   4.00  2.20  1.00
assi (resi 40   and name HA   )  (resi 40   and name HG2# )   3.00  1.20  0.30
assi (resi 40   and name HA   )  (resi 40   and name HD1# )   3.00  1.20  0.30
assi (resi 40   and name HA   )  (resi 40   and name HG1# )   3.00  1.20  0.30

! residue 40   Ile , NOEs forward in sequence
assi (resi 40   and name HA   )  (resi 41   and name HN   )   2.50  0.70  0.20
assi (resi 40   and name HD1# )  (resi 41   and name HN   )   4.00  2.20  1.00
assi (resi 40   and name HG1# )  (resi 41   and name HN   )   4.00  2.20  1.00
assi (resi 40   and name HG2# )  (resi 44   and name HZ2  )   4.00  2.20  1.00

! residue 41   Asp , intraresidue NOEs
assi (resi 41   and name HN   )  (resi 41   and name HA   )   3.00  1.20  0.30
assi (resi 41   and name HN   )  (resi 41   and name HB#  )   4.00  2.20  1.00
assi (resi 41   and name HA   )  (resi 41   and name HB#  )   3.00  1.20  0.30

! residue 41   Asp , NOEs forward in sequence
assi (resi 41   and name HA   )  (resi 42   and name HN   )   2.50  0.70  0.20
assi (resi 41   and name HB#  )  (resi 42   and name HN   )   4.00  2.20  1.00
assi (resi 41   and name HA   )  (resi 44   and name HE1  )   4.00  2.20  1.00
assi (resi 41   and name HA   )  (resi 55   and name HG#  )   4.00  2.20 1.5
assi (resi 41   and name HN   )  (resi 57   and name HB#  )   4.00  2.20  1.00
assi (resi 41   and name HN   )  (resi 57   and name HG#  )   4.00  2.20  1.00

! residue 42   Gly , intraresidue NOEs
! trivial: assi (resi 42   and name HN   )  (resi 42   and name HA#  )   4.00  2.20  1.00

! residue 42   Gly , NOEs forward in sequence
assi (resi 42   and name HA#  )  (resi 43   and name HN   )   3.00  1.20  0.30
assi (resi 42   and name HN   )  (resi 44   and name HD1  )   4.00  2.20  1.00
assi (resi 42   and name HN   )  (resi 44   and name HE1  )   4.00  2.20  1.00
assi (resi 42   and name HN   )  (resi 55   and name HG#  )   4.00  2.20 1.5
assi (resi 42   and name HN   )  (resi 57   and name HA   )   3.00  1.20  0.30
assi (resi 42   and name HA#  )  (resi 57   and name HA   )   4.00  2.20  1.00

! residue 43   Glu , intraresidue NOEs
! trivial: assi (resi 43   and name HN   )  (resi 43   and name HA   )   4.00  2.20  1.00
assi (resi 43   and name HN   )  (resi 43   and name HB#  )   3.00  1.20  0.30
assi (resi 43   and name HN   )  (resi 43   and name HG#  )   4.00  2.20  1.00

! residue 43   Glu , NOEs forward in sequence
assi (resi 43   and name HN   )  (resi 44   and name HN   )   4.00  2.20  1.00
assi (resi 43   and name HA   )  (resi 44   and name HN   )   2.50  0.70  0.20
assi (resi 43   and name HA   )  (resi 44   and name HD1  )   4.00  2.20  1.00
assi (resi 43   and name HB#  )  (resi 44   and name HN   )   4.00  2.20  1.00
assi (resi 43   and name HN   )  (resi 55   and name HG#  )   4.00  2.20 1.5
assi (resi 43   and name HN   )  (resi 56   and name HN   )   4.00  2.20  1.00
assi (resi 43   and name HN   )  (resi 56   and name HG2# )   2.50  0.70  0.20
assi (resi 43   and name HB#  )  (resi 56   and name HN   )   3.00  1.20  0.30
assi (resi 43   and name HB#  )  (resi 56   and name HB   )   3.00  1.20  0.30
assi (resi 43   and name HN  ) (resi 57   and name HA  )  4.00  2.20  1.00

! residue 44   Trp , intraresidue NOEs
! trivial: assi (resi 44   and name HN   )  (resi 44   and name HA   )   4.00  2.20  1.00
assi (resi 44   and name HN   )  (resi 44   and name HD1  )   4.00  2.20  1.00
assi (resi 44   and name HN   )  (resi 44   and name HB#  )   3.00  1.20  0.30
assi (resi 44   and name HA   )  (resi 44   and name HD1  )   4.00  2.20  1.00
assi (resi 44   and name HA   )  (resi 44   and name HE3  )   4.00  2.20  1.00
! trivial: assi (resi 44   and name HA   )  (resi 44   and name HB#  )   4.00  2.20  1.00
! trivial: assi (resi 44   and name HD1  )  (resi 44   and name HE1  )   3.00  1.20  0.30
assi (resi 44   and name HD1  )  (resi 44   and name HB#  )   3.00  1.20  0.30
! trivial: assi (resi 44   and name HE1  )  (resi 44   and name HZ2  )   4.00  2.20  1.00
! trivial: assi (resi 44   and name HE3  )  (resi 44   and name HZ3  )   3.00  1.20  0.30
! trivial: assi (resi 44   and name HE3  )  (resi 44   and name HH2  )   4.00  2.20  1.00
assi (resi 44   and name HE3  )  (resi 44   and name HB#  )   2.50  0.70  0.20
! trivial: assi (resi 44   and name HZ2  )  (resi 44   and name HZ3  )   4.00  2.20  1.00
! trivial: assi (resi 44   and name HZ2  )  (resi 44   and name HH2  )   2.50  0.70  0.20
! trivial: assi (resi 44   and name HZ3  )  (resi 44   and name HH2  )   2.50  0.70  0.20

! residue 44   Trp , NOEs forward in sequence
assi (resi 44   and name HN  ) (resi 45   and name HN  )  4.00  2.20  1.00
assi (resi 44   and name HA   )  (resi 45   and name HN   )   2.50  0.70  0.20
assi (resi 44   and name HE3  )  (resi 45   and name HN   )   4.00  2.20  1.00
assi (resi 44   and name HB#  )  (resi 45   and name HN   )   4.00  2.20  1.00
assi (resi 44   and name HE3  )  (resi 53   and name HB#  )   3.00  1.20  0.30
assi (resi 44   and name HE3 ) (resi 53   and name HD# )  3.00  1.20  0.30
assi (resi 44   and name HA   )  (resi 54   and name HN   )   3.00  1.20  0.30
assi (resi 44   and name HA   )  (resi 55   and name HA   )   3.00  1.20  0.30
assi (resi 44   and name HA   )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 44   and name HA   )  (resi 55   and name HG#  )   4.00  2.20 1.5
assi (resi 44   and name HD1  )  (resi 55   and name HA   )   4.00  2.20  1.00
assi (resi 44   and name HD1  )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 44   and name HD1  )  (resi 55   and name HG#  )   4.00  2.20 1.5
assi (resi 44   and name HE1  )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 44   and name HE1  )  (resi 55   and name HG#  )   4.00  2.20 1.5
assi (resi 44   and name HE3  )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 44   and name HZ2  )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 44   and name HZ2  )  (resi 55   and name HG#  )   4.00  2.20 1.5
assi (resi 44   and name HZ3  )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 44   and name HH2  )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 44   and name HA   )  (resi 56   and name HN   )   4.00  2.20  1.00

! residue 45   Thr , intraresidue NOEs
! trivial: assi (resi 45   and name HN   )  (resi 45   and name HA   )   4.00  2.20  1.00
assi (resi 45   and name HN   )  (resi 45   and name HB   )   4.00  2.20  1.00
assi (resi 45   and name HN   )  (resi 45   and name HG2# )   4.00  2.20  1.00
assi (resi 45   and name HA   )  (resi 45   and name HB   )   2.50  0.70  0.20
assi (resi 45   and name HA   )  (resi 45   and name HG2# )   3.00  1.20  0.30
! trivial: assi (resi 45   and name HB   )  (resi 45   and name HG2# )   2.50  0.70  0.20

! residue 45   Thr , NOEs forward in sequence
assi (resi 45   and name HN   )  (resi 46   and name HN   )   4.00  2.20  1.00
assi (resi 45   and name HA   )  (resi 46   and name HN   )   3.00  1.20  0.30
assi (resi 45   and name HB   )  (resi 46   and name HN   )   3.00  1.20  0.30
assi (resi 45   and name HG2# )  (resi 46   and name HN   )   4.00  2.20  1.00
assi (resi 45   and name HN   )  (resi 54   and name HB   )   3.00  1.20  0.30
assi (resi 45   and name HG2# )  (resi 54   and name HN   )   4.00  2.20  1.00
assi (resi 45   and name HN   )  (resi 55   and name HA   )   4.00  2.20  1.00

! residue 46   Tyr , intraresidue NOEs
! trivial: assi (resi 46   and name HN   )  (resi 46   and name HA   )   4.00  2.20  1.00
assi (resi 46   and name HN   )  (resi 46   and name HB#  )   2.50  0.70  0.20
! trivial: assi (resi 46   and name HA   )  (resi 46   and name HB#  )   4.00  2.20  1.00
assi (resi 46   and name HA   )  (resi 46   and name HD#  )   4.00  2.20  1.00
assi (resi 46   and name HA   )  (resi 46   and name HE#  )   4.00  2.20  1.00
assi (resi 46   and name HB#  )  (resi 46   and name HD#  )   3.00  1.20  0.30
assi (resi 46   and name HB#  )  (resi 46   and name HE#  )   4.00  2.20  1.00
! trivial: assi (resi 46   and name HD#  )  (resi 46   and name HE#  )   2.50  0.70  0.20

! residue 46   Tyr , NOEs forward in sequence
assi (resi 46   and name HN   )  (resi 47   and name HN   )   4.00  2.20  1.00
assi (resi 46   and name HA   )  (resi 47   and name HN   )   2.50  0.70  0.20
assi (resi 46   and name HA  ) (resi 47   and name HB# )  4.00  2.20  1.00
assi (resi 46   and name HB#  )  (resi 47   and name HN   )   4.00  2.20  1.00
assi (resi 46   and name HD#  )  (resi 47   and name HN   )   4.00  2.20  1.00
assi (resi 46   and name HE#  )  (resi 48   and name HA   )   3.00  1.20  0.30
assi (resi 46   and name HE#  )  (resi 48   and name HB#  )   3.00  1.20  0.30
assi (resi 46   and name HE#  )  (resi 51   and name HN   )   4.00  2.20  1.00
assi (resi 46   and name HE#  )  (resi 51   and name HA   )   3.00  1.20  0.30
assi (resi 46   and name HE#  )  (resi 51   and name HB#  )   4.00  2.20  1.00
assi (resi 46   and name HE#  )  (resi 51   and name HD#  )   4.00  2.20  1.00
assi (resi 46   and name HE#  )  (resi 52   and name HN   )   4.00  2.20  1.00
! assi (resi 46   and name HE#  )  (resi 52   and name HA   )  undef
assi (resi 46   and name HA   )  (resi 53   and name HA   )   3.00  1.20  0.30
assi (resi 46   and name HA   )  (resi 53   and name HD#  )   3.00  1.20  0.30
assi (resi 46   and name HB#  )  (resi 53   and name HA   )   4.00  2.20  1.00
assi (resi 46   and name HB#  )  (resi 53   and name HD#  )   3.00  1.20  0.30
assi (resi 46   and name HB#  )  (resi 53   and name HE#  )   4.00  2.20  1.00
assi (resi 46   and name HD#  )  (resi 53   and name HA   )   4.00  2.20  1.00
assi (resi 46   and name HD#  )  (resi 53   and name HD#  )   4.00  2.20  1.00
assi (resi 46   and name HD#  )  (resi 53   and name HE#  )   4.00  2.20  1.00
assi (resi 46   and name HE#  )  (resi 53   and name HZ   )   4.00  2.20  1.00
assi (resi 46   and name HE#  )  (resi 53   and name HD#  )   4.00  2.20  1.00
assi (resi 46   and name HE#  )  (resi 53   and name HE#  )   4.00  2.20  1.00
assi (resi 46   and name HA   )  (resi 54   and name HN   )   4.00  2.20  1.00

! residue 47   Asp , intraresidue NOEs
! trivial: assi (resi 47   and name HN   )  (resi 47   and name HA   )   4.00  2.20  1.00
assi (resi 47   and name HN   )  (resi 47   and name HB#  )   3.00  1.20  0.30

! residue 47   Asp , NOEs forward in sequence
assi (resi 47   and name HN   )  (resi 48   and name HN   )   4.00  2.20  1.00
assi (resi 47   and name HA   )  (resi 48   and name HN   )   2.50  0.70  0.20
assi (resi 47   and name HB#  )  (resi 48   and name HN   )   4.00  2.20  1.00
assi (resi 47   and name HA   )  (resi 49   and name HN   )   4.00  2.20  1.00
assi (resi 47   and name HB#  )  (resi 49   and name HN   )   4.00  2.20  1.00
assi (resi 47   and name HB#  )  (resi 51   and name HN   )   4.00  2.20  1.00
assi (resi 47   and name HN   )  (resi 52   and name HN   )   3.00  1.20  0.30
assi (resi 47   and name HB#  )  (resi 52   and name HN   )   4.00  2.20  1.00
assi (resi 47   and name HB#  )  (resi 52   and name HB   )   3.00  1.20  0.30
assi (resi 47   and name HN   )  (resi 53   and name HA   )   4.00  2.20  1.00

! residue 48   Asp , intraresidue NOEs
assi (resi 48   and name HN   )  (resi 48   and name HA   )   3.00  1.20  0.30
assi (resi 48   and name HN   )  (resi 48   and name HB#  )   4.00  2.20  1.00
assi (resi 48   and name HA   )  (resi 48   and name HB#  )   2.50  0.70  0.20

! residue 48   Asp , NOEs forward in sequence
assi (resi 48   and name HN   )  (resi 49   and name HN   )   4.00  2.20  1.00
assi (resi 48   and name HN   )  (resi 49   and name HB#  )   4.00  2.20 1.5
assi (resi 48   and name HA   )  (resi 49   and name HN   )   3.00  1.20  0.30
assi (resi 48   and name HB#  )  (resi 49   and name HN   )   4.00  2.20  1.00
assi (resi 48   and name HA   )  (resi 50   and name HN   )   4.00  2.20  1.00
assi (resi 48   and name HA   )  (resi 51   and name HN   )   3.00  1.20  0.30
assi (resi 48   and name HA   )  (resi 51   and name HD#  )   4.00  2.20  1.00

! residue 49   Ala , intraresidue NOEs
assi (resi 49   and name HN   )  (resi 49   and name HA   )   3.00  1.20  0.30
assi (resi 49   and name HN   )  (resi 49   and name HB#  )   2.50  0.70 0.7
! trivial: assi (resi 49   and name HA   )  (resi 49   and name HB#  )   2.50  0.70  0.20

! residue 49   Ala , NOEs forward in sequence
assi (resi 49   and name HN   )  (resi 50   and name HN   )   4.00  2.20  1.00
assi (resi 49   and name HN   )  (resi 50   and name HG2# )   4.00  2.20  1.00
assi (resi 49   and name HA   )  (resi 50   and name HN   )   4.00  2.20  1.00
assi (resi 49   and name HB#  )  (resi 50   and name HN   )   4.00  2.20 1.5
assi (resi 49   and name HB#  )  (resi 50   and name HA   )   4.00  2.20 1.5
assi (resi 49   and name HN   )  (resi 51   and name HN   )   3.00  1.20  0.30

! residue 50   Thr , intraresidue NOEs
! trivial: assi (resi 50   and name HN   )  (resi 50   and name HA   )   4.00  2.20  1.00
assi (resi 50   and name HN   )  (resi 50   and name HG2# )   4.00  2.20  1.00
assi (resi 50   and name HA   )  (resi 50   and name HG2# )   2.50  0.70  0.20

! residue 50   Thr , NOEs forward in sequence
assi (resi 50   and name HN   )  (resi 51   and name HN   )   3.00  1.20  0.30
assi (resi 50   and name HA   )  (resi 51   and name HN   )   4.00  2.20  1.00
assi (resi 50   and name HG2# )  (resi 51   and name HN   )   4.00  2.20  1.00
assi (resi 50   and name HN  ) (resi 52   and name HN  )  3.00  1.20  0.30

! residue 51   Lys , intraresidue NOEs
assi (resi 51   and name HN   )  (resi 51   and name HA   )   2.50  0.70  0.20
assi (resi 51   and name HN   )  (resi 51   and name HG#  )   3.00  1.20  0.30
assi (resi 51   and name HN   )  (resi 51   and name HD#  )   4.00  2.20  1.00
assi (resi 51   and name HA   )  (resi 51   and name HD#  )   3.00  1.20  0.30

! residue 51   Lys , NOEs forward in sequence
assi (resi 51   and name HN   )  (resi 52   and name HN   )   3.00  1.20  0.30
assi (resi 51   and name HA   )  (resi 52   and name HN   )   3.00  1.20  0.30

! residue 52   Thr , intraresidue NOEs
! trivial: assi (resi 52   and name HN   )  (resi 52   and name HA   )   4.00  2.20  1.00
assi (resi 52   and name HN   )  (resi 52   and name HB   )   3.00  1.20  0.30
assi (resi 52   and name HN   )  (resi 52   and name HG2# )   4.00  2.20  1.00
! trivial: assi (resi 52   and name HA   )  (resi 52   and name HB   )   4.00  2.20  1.00
assi (resi 52   and name HA   )  (resi 52   and name HG2# )   3.00  1.20  0.30
! trivial: assi (resi 52   and name HB   )  (resi 52   and name HG2# )   3.00  1.20  0.30

! residue 52   Thr , NOEs forward in sequence
assi (resi 52   and name HA   )  (resi 53   and name HN   )   2.50  0.70  0.20
assi (resi 52   and name HA   )  (resi 53   and name HD#  )   4.00  2.20  1.00
assi (resi 52   and name HG2# )  (resi 53   and name HN   )   4.00  2.20  1.00

! residue 53   Phe , intraresidue NOEs
! trivial: assi (resi 53   and name HN   )  (resi 53   and name HA   )   4.00  2.20  1.00
assi (resi 53   and name HN   )  (resi 53   and name HB#  )   4.00  2.20  1.00
assi (resi 53   and name HN   )  (resi 53   and name HD#  )   3.00  1.20  0.30
! trivial: assi (resi 53   and name HA   )  (resi 53   and name HB#  )   4.00  2.20  1.00
assi (resi 53   and name HA   )  (resi 53   and name HD#  )   4.00  2.20  1.00
! trivial: assi (resi 53   and name HZ   )  (resi 53   and name HD#  )   4.00  2.20  1.00
! trivial: assi (resi 53   and name HZ   )  (resi 53   and name HE#  )   2.50  0.70  0.20
assi (resi 53   and name HB#  )  (resi 53   and name HD#  )   2.50  0.70  0.20
! trivial: assi (resi 53   and name HD#  )  (resi 53   and name HE#  )   2.50  0.70  0.20

! residue 53   Phe , NOEs forward in sequence
assi (resi 53   and name HN   )  (resi 54   and name HN   )   4.00  2.20  1.00
assi (resi 53   and name HA   )  (resi 54   and name HN   )   3.00  1.20  0.30
assi (resi 53   and name HD#  )  (resi 54   and name HN   )   4.00  2.20  1.00

! residue 54   Thr , intraresidue NOEs
! trivial: assi (resi 54   and name HN   )  (resi 54   and name HA   )   4.00  2.20  1.00
assi (resi 54   and name HN   )  (resi 54   and name HB   )   3.00  1.20  0.30
assi (resi 54   and name HN   )  (resi 54   and name HG2# )   4.00  2.20  1.00
! trivial: assi (resi 54   and name HA   )  (resi 54   and name HB   )   4.00  2.20  1.00
assi (resi 54   and name HA   )  (resi 54   and name HG2# )   3.00  1.20  0.30
! trivial: assi (resi 54   and name HB   )  (resi 54   and name HG2# )   2.50  0.70  0.20

! residue 54   Thr , NOEs forward in sequence
assi (resi 54   and name HN   )  (resi 55   and name HN   )   4.00  2.20  1.00
assi (resi 54   and name HN   )  (resi 55   and name HG#  )   4.00  2.20 1.5
assi (resi 54   and name HA   )  (resi 55   and name HN   )   2.50  0.70  0.20
assi (resi 54   and name HA   )  (resi 55   and name HG#  )   4.00  2.20 1.5
assi (resi 54   and name HB   )  (resi 55   and name HN   )   4.00  2.20  1.00
assi (resi 54   and name HG2# )  (resi 55   and name HN   )   4.00  2.20  1.00

! residue 55   Val , intraresidue NOEs
assi (resi 55   and name HN   )  (resi 55   and name HA   )   3.00  1.20  0.30
assi (resi 55   and name HN   )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 55   and name HN   )  (resi 55   and name HG#  )   3.00  1.20 0.8
! trivial: assi (resi 55   and name HA   )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 55   and name HA   )  (resi 55   and name HG#  )   4.00  2.20 1.5

! residue 55   Val , NOEs forward in sequence
assi (resi 55   and name HA   )  (resi 56   and name HN   )   2.50  0.70  0.20
assi (resi 55   and name HB   )  (resi 56   and name HN   )   4.00  2.20  1.00
assi (resi 55   and name HG#  )  (resi 56   and name HN   )   4.00  2.20 1.5

! residue 56   Thr , intraresidue NOEs
! trivial: assi (resi 56   and name HN   )  (resi 56   and name HA   )   4.00  2.20  1.00
assi (resi 56   and name HN   )  (resi 56   and name HB   )   3.00  1.20  0.30
assi (resi 56   and name HN   )  (resi 56   and name HG2# )   4.00  2.20  1.00
assi (resi 56   and name HA   )  (resi 56   and name HB   )   3.00  1.20  0.30
! trivial: assi (resi 56   and name HB   )  (resi 56   and name HG2# )   2.50  0.70  0.20

! residue 56   Thr , NOEs forward in sequence
assi (resi 56   and name HA   )  (resi 57   and name HN   )   2.50  0.70  0.20
assi (resi 56   and name HB   )  (resi 57   and name HN   )   4.00  2.20  1.00
assi (resi 56   and name HG2# )  (resi 57   and name HN   )   4.00  2.20  1.00

! residue 57   Glu , intraresidue NOEs
assi (resi 57   and name HN   )  (resi 57   and name HA   )   3.00  1.20  0.30
assi (resi 57   and name HN   )  (resi 57   and name HB#  )   3.00  1.20  0.30
assi (resi 57   and name HN   )  (resi 57   and name HG#  )   4.00  2.20  1.00
! trivial: assi (resi 57   and name HA   )  (resi 57   and name HB#  )   4.00  2.20  1.00
!
!Hydrogen bond restraints
assi (resi 45   and name O   ) (resi 54   and name HN  )  2.00  0.30  0.40
assi (resi 45   and name O   ) (resi 54   and name N   )  3.00  0.50  0.40
assi (resi 5    and name O   ) (resi 53   and name HN  )  2.00  0.30  0.40
assi (resi 5    and name O   ) (resi 53   and name N   )  3.00  0.50  0.40
assi (resi 51   and name O   ) (resi 5    and name HN  )  2.00  0.30  0.40
assi (resi 51   and name O   ) (resi 5    and name N   )  3.00  0.50  0.40
assi (resi 54   and name O   ) (resi 45   and name HN  )  2.00  0.30  0.40
assi (resi 54   and name O   ) (resi 45   and name N   )  3.00  0.50  0.40
assi (resi 53   and name O   ) (resi 7    and name HN  )  2.00  0.30  0.40
assi (resi 53   and name O   ) (resi 7    and name N   )  3.00  0.50  0.40
assi (resi 47   and name O   ) (resi 52   and name HN  )  2.00  0.30  0.40
assi (resi 47   and name O   ) (resi 52   and name N   )  3.00  0.50  0.40
assi (resi 25   and name O   ) (resi 29   and name HN  )  2.00  0.30  0.40
assi (resi 25   and name O   ) (resi 29   and name N   )  3.00  0.50  0.40
assi (resi 26   and name O   ) (resi 30   and name HN  )  2.00  0.30  0.40
assi (resi 26   and name O   ) (resi 30   and name N   )  3.00  0.50  0.40
assi (resi 23   and name O   ) (resi 27   and name HN  )  2.00  0.30  0.40
assi (resi 23   and name O   ) (resi 27   and name N   )  3.00  0.50  0.40
assi (resi 52   and name O   ) (resi 47   and name HN  )  2.00  0.30  0.40
assi (resi 52   and name O   ) (resi 47   and name N   )  3.00  0.50  0.40
assi (resi 28   and name O   ) (resi 32   and name HN  )  2.00  0.30  0.40
assi (resi 28   and name O   ) (resi 32   and name N   )  3.00  0.50  0.40
assi (resi 15   and name O   ) (resi 8    and name HN  )  2.00  0.30  0.40
assi (resi 15   and name O   ) (resi 8    and name N   )  3.00  0.50  0.40
assi (resi 43   and name O   ) (resi 56   and name HN  )  2.00  0.30  0.40
assi (resi 43   and name O   ) (resi 56   and name N   )  3.00  0.50  0.40
assi (resi 7    and name O   ) (resi 55   and name HN  )  2.00  0.30  0.40
assi (resi 7    and name O   ) (resi 55   and name N   )  3.00  0.50  0.40
assi (resi 19   and name O   ) (resi 4    and name HN  )  2.00  0.30  0.40
assi (resi 19   and name O   ) (resi 4    and name N   )  3.00  0.50  0.40
assi (resi 55   and name O   ) (resi 9    and name HN  )  2.00  0.30  0.40
assi (resi 55   and name O   ) (resi 9    and name N   )  3.00  0.50  0.40
assi (resi 47   and name O   ) (resi 51   and name HN  )  2.00  0.30  0.40
assi (resi 47   and name O   ) (resi 51   and name N   )  3.00  0.50  0.40
assi (resi 29   and name O   ) (resi 33   and name HN  )  2.00  0.30  0.40
assi (resi 29   and name O   ) (resi 33   and name N   )  3.00  0.50  0.40
assi (resi 35   and name O   ) (resi 40   and name HN  )  2.00  0.30  0.40
assi (resi 35   and name O   ) (resi 40   and name N   )  3.00  0.50  0.40
assi (resi 56   and name O   ) (resi 43   and name HN  )  2.00  0.30  0.40
assi (resi 56   and name O   ) (resi 43   and name N   )  3.00  0.50  0.40
assi (resi 47   and name O   ) (resi 50   and name HN  )  2.00  0.30  0.40
assi (resi 47   and name O   ) (resi 50   and name N   )  3.00  0.50  0.40


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1  -3.204 -15.556   7.220
    2   2H    MET   1          3HT       MET   1  -3.091 -15.595   8.912
    3   3H    MET   1          2HT       MET   1  -4.114 -14.468   8.156
    4    HA   MET   1           HA       MET   1  -2.122 -13.342   8.892
    5   1HB   MET   1          2HB       MET   1  -0.893 -15.574   8.855
    6   2HB   MET   1          1HB       MET   1  -0.692 -15.341   7.118
    7   1HG   MET   1          2HG       MET   1   0.780 -13.576   7.383
    8   2HG   MET   1          1HG       MET   1   0.088 -13.096   8.933
    9   1HE   MET   1          2HE       MET   1   2.314 -14.785   6.879
   10   2HE   MET   1          1HE       MET   1   3.639 -14.306   7.937
   11   3HE   MET   1          3HE       MET   1   3.221 -16.015   7.754
   12    QB   MET   1           QB       MET   1  -0.793 -15.457   7.986
   13    QG   MET   1           QG       MET   1   0.434 -13.336   8.158
   14    QE   MET   1           QE       MET   1   3.058 -15.035   7.524
   15    H    THR   2           H        THR   2  -3.254 -11.761   7.609
   16    HA   THR   2           HA       THR   2  -2.697 -11.774   4.670
   17    HB   THR   2           HB       THR   2  -4.632 -10.160   6.367
   18    HG1  THR   2          1HG       THR   2  -5.106 -12.371   4.660
   19   1HG2  THR   2          3HG2      THR   2  -3.953 -10.237   3.470
   20   2HG2  THR   2          2HG2      THR   2  -5.661 -10.110   3.885
   21   3HG2  THR   2          1HG2      THR   2  -4.521  -8.890   4.456
   22    QG2  THR   2           QG2      THR   2  -4.712  -9.746   3.937
   23    H    THR   3           H        THR   3  -0.400 -11.081   5.318
   24    HA   THR   3           HA       THR   3  -0.196  -8.239   6.191
   25    HB   THR   3           HB       THR   3   1.893 -10.381   5.663
   26    HG1  THR   3          1HG       THR   3   0.688 -11.008   7.384
   27   1HG2  THR   3          2HG2      THR   3   2.014  -7.532   6.430
   28   2HG2  THR   3          1HG2      THR   3   2.962  -8.612   7.454
   29   3HG2  THR   3          3HG2      THR   3   3.255  -8.564   5.717
   30    QG2  THR   3           QG2      THR   3   2.744  -8.236   6.534
   31    H    PHE   4           H        PHE   4  -0.600  -6.935   4.407
   32    HA   PHE   4           HA       PHE   4   0.483  -7.652   1.747
   33   1HB   PHE   4          2HB       PHE   4  -1.382  -5.611   2.930
   34   2HB   PHE   4          1HB       PHE   4  -0.724  -5.350   1.313
   35    HD1  PHE   4          1HD       PHE   4  -0.848  -7.419  -0.312
   36    HD2  PHE   4          2HD       PHE   4  -3.307  -6.915   3.173
   37    HE1  PHE   4          1HE       PHE   4  -2.493  -9.021  -1.244
   38    HE2  PHE   4          2HE       PHE   4  -4.953  -8.516   2.236
   39   1HZ   PHE   4           HZ       PHE   4  -4.546  -9.571   0.032
   40    QB   PHE   4           QB       PHE   4  -1.053  -5.480   2.121
   41    QG   PHE   4           QD       PHE   4  -2.078  -7.167   1.430
   42    QZ   PHE   4           QE       PHE   4  -3.723  -8.769   0.496
   43    QZ   PHE   4           QR       PHE   4  -3.230  -8.289   0.777
   44    H    LYS   5           H        LYS   5   1.975  -6.280   0.619
   45    HA   LYS   5           HA       LYS   5   3.628  -4.536   2.414
   46   1HB   LYS   5          2HB       LYS   5   4.324  -6.071  -0.116
   47   2HB   LYS   5          1HB       LYS   5   5.465  -5.153   0.866
   48   1HG   LYS   5          2HG       LYS   5   4.617  -6.659   2.822
   49   2HG   LYS   5          1HG       LYS   5   4.036  -7.715   1.536
   50   1HD   LYS   5          2HD       LYS   5   6.525  -7.256   0.613
   51   2HD   LYS   5          1HD       LYS   5   6.829  -7.077   2.342
   52   1HE   LYS   5          2HE       LYS   5   5.751  -9.294   2.737
   53   2HE   LYS   5          1HE       LYS   5   5.560  -9.481   0.983
   54   1HZ   LYS   5          2HZ       LYS   5   8.151  -8.899   2.315
   55   2HZ   LYS   5          1HZ       LYS   5   7.651 -10.462   1.872
   56   3HZ   LYS   5          3HZ       LYS   5   7.902  -9.283   0.679
   57    QB   LYS   5           QB       LYS   5   4.894  -5.612   0.375
   58    QG   LYS   5           QG       LYS   5   4.327  -7.187   2.179
   59    QD   LYS   5           QD       LYS   5   6.677  -7.166   1.477
   60    QE   LYS   5           QE       LYS   5   5.655  -9.388   1.860
   61    QZ   LYS   5           QZ       LYS   5   7.901  -9.548   1.622
   62    H    LEU   6           H        LEU   6   5.037  -3.064   0.642
   63    HA   LEU   6           HA       LEU   6   3.385  -1.969  -1.518
   64   1HB   LEU   6          2HB       LEU   6   2.269  -1.057   0.459
   65   2HB   LEU   6          1HB       LEU   6   3.806  -0.491   1.104
   66    HG   LEU   6           HG       LEU   6   3.984   0.873  -1.108
   67   1HD1  LEU   6          3HD1      LEU   6   1.082   0.044  -1.068
   68   2HD1  LEU   6          2HD1      LEU   6   1.611   1.527  -1.863
   69   3HD1  LEU   6          1HD1      LEU   6   2.225  -0.033  -2.410
   70   1HD2  LEU   6          2HD2      LEU   6   3.259   1.552   1.376
   71   2HD2  LEU   6          1HD2      LEU   6   3.198   2.707   0.046
   72   3HD2  LEU   6          3HD2      LEU   6   1.728   1.883   0.565
   73    QB   LEU   6           QB       LEU   6   3.038  -0.774   0.781
   74    QD1  LEU   6           QD1      LEU   6   1.639   0.513  -1.781
   75    QD2  LEU   6           QD2      LEU   6   2.728   2.048   0.663
   76    QQD  LEU   6           QQD      LEU   6   2.184   1.280  -0.559
   77    H    ILE   7           H        ILE   7   5.109  -1.853  -2.957
   78    HA   ILE   7           HA       ILE   7   7.766  -0.924  -2.084
   79    HB   ILE   7           HB       ILE   7   6.588  -1.618  -4.803
   80   1HG1  ILE   7          2HG1      ILE   7   8.502  -3.325  -3.227
   81   2HG1  ILE   7          1HG1      ILE   7   6.773  -3.401  -2.884
   82   1HG2  ILE   7          1HG2      ILE   7   9.381  -0.989  -3.849
   83   2HG2  ILE   7          3HG2      ILE   7   9.109  -1.975  -5.286
   84   3HG2  ILE   7          2HG2      ILE   7   8.514  -0.314  -5.229
   85   1HD1  ILE   7          1HD1      ILE   7   8.042  -3.830  -5.605
   86   2HD1  ILE   7          3HD1      ILE   7   7.427  -5.105  -4.553
   87   3HD1  ILE   7          2HD1      ILE   7   6.318  -3.923  -5.248
   88    QG1  ILE   7           QG1      ILE   7   7.638  -3.363  -3.056
   89    QG2  ILE   7           QG2      ILE   7   9.001  -1.093  -4.788
   90    QD1  ILE   7           QD1      ILE   7   7.263  -4.286  -5.135
   91    H    ILE   8           H        ILE   8   8.253   1.251  -2.070
   92    HA   ILE   8           HA       ILE   8   6.313   3.110  -3.283
   93    HB   ILE   8           HB       ILE   8   8.869   3.860  -1.863
   94   1HG1  ILE   8          2HG1      ILE   8   7.485   2.135  -0.514
   95   2HG1  ILE   8          1HG1      ILE   8   7.863   3.646   0.286
   96   1HG2  ILE   8          2HG2      ILE   8   6.203   5.129  -2.447
   97   2HG2  ILE   8          1HG2      ILE   8   7.206   5.724  -1.119
   98   3HG2  ILE   8          3HG2      ILE   8   7.829   5.750  -2.770
   99   1HD1  ILE   8          3HD1      ILE   8   5.366   3.887  -1.149
  100   2HD1  ILE   8          2HD1      ILE   8   5.314   2.495  -0.076
  101   3HD1  ILE   8          1HD1      ILE   8   5.678   4.096   0.572
  102    QG1  ILE   8           QG1      ILE   8   7.674   2.890  -0.114
  103    QG2  ILE   8           QG2      ILE   8   7.079   5.534  -2.112
  104    QD1  ILE   8           QD1      ILE   8   5.453   3.493  -0.218
  105    H    ASN   9           H        ASN   9   6.614   3.665  -5.409
  106    HA   ASN   9           HA       ASN   9   9.376   3.608  -6.548
  107   1HB   ASN   9          2HB       ASN   9   7.574   2.243  -7.571
  108   2HB   ASN   9          1HB       ASN   9   6.626   3.707  -7.834
  109   1HD2  ASN   9          2HD2      ASN   9   8.362   4.592 -10.769
  110   2HD2  ASN   9          1HD2      ASN   9   7.077   4.922  -9.710
  111    QB   ASN   9           QB       ASN   9   7.100   2.975  -7.702
  112    QD2  ASN   9           QD2      ASN   9   7.720   4.757 -10.239
  113    H    GLY  10           H        GLY  10   9.520   5.787  -5.200
  114   1HA   GLY  10          2HA       GLY  10   9.348   7.973  -7.108
  115   2HA   GLY  10          1HA       GLY  10   8.180   8.147  -5.798
  116    QA   GLY  10           QA       GLY  10   8.764   8.060  -6.453
  117    H    LYS  11           H        LYS  11  10.148  10.053  -6.038
  118    HA   LYS  11           HA       LYS  11  12.582   9.597  -4.630
  119   1HB   LYS  11          2HB       LYS  11  12.564  12.064  -4.393
  120   2HB   LYS  11          1HB       LYS  11  12.067  11.578  -6.012
  121   1HG   LYS  11          2HG       LYS  11   9.702  11.856  -5.386
  122   2HG   LYS  11          1HG       LYS  11  10.179  12.304  -3.749
  123   1HD   LYS  11          2HD       LYS  11  11.028  13.800  -6.246
  124   2HD   LYS  11          1HD       LYS  11   9.691  14.284  -5.203
  125   1HE   LYS  11          2HE       LYS  11  11.639  14.005  -3.334
  126   2HE   LYS  11          1HE       LYS  11  12.615  14.501  -4.731
  127   1HZ   LYS  11          2HZ       LYS  11  11.046  16.309  -5.129
  128   2HZ   LYS  11          1HZ       LYS  11  10.161  15.860  -3.749
  129   3HZ   LYS  11          3HZ       LYS  11  11.746  16.440  -3.586
  130    QB   LYS  11           QB       LYS  11  12.315  11.821  -5.203
  131    QG   LYS  11           QG       LYS  11   9.941  12.080  -4.568
  132    QD   LYS  11           QD       LYS  11  10.360  14.042  -5.725
  133    QE   LYS  11           QE       LYS  11  12.127  14.253  -4.032
  134    QZ   LYS  11           QZ       LYS  11  10.984  16.203  -4.155
  135    H    THR  12           H        THR  12   9.319  10.325  -3.470
  136    HA   THR  12           HA       THR  12  10.149  10.694  -0.681
  137    HB   THR  12           HB       THR  12   7.558  10.527  -0.458
  138    HG1  THR  12          1HG       THR  12   6.462  10.589  -2.364
  139   1HG2  THR  12          1HG2      THR  12   8.866  12.608  -2.231
  140   2HG2  THR  12          3HG2      THR  12   7.294  12.792  -1.450
  141   3HG2  THR  12          2HG2      THR  12   8.756  12.657  -0.472
  142    QG2  THR  12           QG2      THR  12   8.305  12.686  -1.385
  143    H    LEU  13           H        LEU  13  10.295   9.071   0.843
  144    HA   LEU  13           HA       LEU  13  10.282   6.908   1.783
  145   1HB   LEU  13          2HB       LEU  13   7.750   7.252   0.285
  146   2HB   LEU  13          1HB       LEU  13   8.194   5.577   0.596
  147    HG   LEU  13           HG       LEU  13   8.117   7.722   2.731
  148   1HD1  LEU  13          3HD1      LEU  13   6.062   5.692   1.822
  149   2HD1  LEU  13          2HD1      LEU  13   6.032   6.402   3.438
  150   3HD1  LEU  13          1HD1      LEU  13   5.856   7.436   2.019
  151   1HD2  LEU  13          1HD2      LEU  13   9.478   5.393   2.786
  152   2HD2  LEU  13          3HD2      LEU  13   8.700   6.065   4.218
  153   3HD2  LEU  13          2HD2      LEU  13   7.895   4.803   3.286
  154    QB   LEU  13           QB       LEU  13   7.972   6.414   0.441
  155    QD1  LEU  13           QD1      LEU  13   5.983   6.510   2.427
  156    QD2  LEU  13           QD2      LEU  13   8.691   5.420   3.430
  157    QQD  LEU  13           QQD      LEU  13   7.337   5.965   2.928
  158    H    LYS  14           H        LYS  14  10.643   4.576   1.193
  159    HA   LYS  14           HA       LYS  14  10.966   3.681  -1.496
  160   1HB   LYS  14          2HB       LYS  14  13.483   3.746  -1.549
  161   2HB   LYS  14          1HB       LYS  14  12.750   5.347  -1.572
  162   1HG   LYS  14          2HG       LYS  14  13.024   4.798   1.149
  163   2HG   LYS  14          1HG       LYS  14  14.492   4.126   0.442
  164   1HD   LYS  14          2HD       LYS  14  13.478   6.934  -0.086
  165   2HD   LYS  14          1HD       LYS  14  14.730   6.533   1.091
  166   1HE   LYS  14          2HE       LYS  14  15.939   5.365  -0.892
  167   2HE   LYS  14          1HE       LYS  14  14.849   6.319  -1.919
  168   1HZ   LYS  14          2HZ       LYS  14  15.507   8.297  -0.614
  169   2HZ   LYS  14          1HZ       LYS  14  16.672   7.354   0.187
  170   3HZ   LYS  14          3HZ       LYS  14  16.799   7.619  -1.483
  171    QB   LYS  14           QB       LYS  14  13.116   4.546  -1.561
  172    QG   LYS  14           QG       LYS  14  13.758   4.462   0.795
  173    QD   LYS  14           QD       LYS  14  14.104   6.734   0.502
  174    QE   LYS  14           QE       LYS  14  15.394   5.842  -1.406
  175    QZ   LYS  14           QZ       LYS  14  16.326   7.757  -0.636
  176    H    GLY  15           H        GLY  15   9.979   1.826  -0.463
  177   1HA   GLY  15          2HA       GLY  15  11.735  -0.243   0.320
  178   2HA   GLY  15          1HA       GLY  15  11.131   0.490   1.805
  179    QA   GLY  15           QA       GLY  15  11.433   0.123   1.063
  180    H    GLU  16           H        GLU  16  10.147  -1.696   2.115
  181    HA   GLU  16           HA       GLU  16   7.483  -1.855   0.751
  182   1HB   GLU  16          2HB       GLU  16   9.646  -3.903   1.171
  183   2HB   GLU  16          1HB       GLU  16   7.963  -4.422   1.043
  184   1HG   GLU  16          2HG       GLU  16   7.752  -3.631  -1.157
  185   2HG   GLU  16          1HG       GLU  16   9.130  -2.542  -0.997
  186    QB   GLU  16           QB       GLU  16   8.805  -4.163   1.107
  187    QG   GLU  16           QG       GLU  16   8.441  -3.086  -1.077
  188    H    ILE  17           H        ILE  17   7.074  -0.631   2.931
  189    HA   ILE  17           HA       ILE  17   7.274  -1.972   5.453
  190    HB   ILE  17           HB       ILE  17   6.879   0.445   5.134
  191   1HG1  ILE  17          2HG1      ILE  17   4.666   0.493   6.635
  192   2HG1  ILE  17          1HG1      ILE  17   5.001  -1.235   6.744
  193   1HG2  ILE  17          1HG2      ILE  17   5.009  -0.356   3.259
  194   2HG2  ILE  17          3HG2      ILE  17   4.001   0.205   4.594
  195   3HG2  ILE  17          2HG2      ILE  17   5.196   1.285   3.877
  196   1HD1  ILE  17          3HD1      ILE  17   7.191   0.777   7.209
  197   2HD1  ILE  17          2HD1      ILE  17   6.082   0.344   8.508
  198   3HD1  ILE  17          1HD1      ILE  17   7.092  -0.894   7.762
  199    QG1  ILE  17           QG1      ILE  17   4.833  -0.371   6.689
  200    QG2  ILE  17           QG2      ILE  17   4.735   0.378   3.910
  201    QD1  ILE  17           QD1      ILE  17   6.788   0.076   7.826
  202    H    THR  18           H        THR  18   6.335  -3.918   5.883
  203    HA   THR  18           HA       THR  18   3.961  -4.853   4.428
  204    HB   THR  18           HB       THR  18   4.399  -6.900   5.748
  205    HG1  THR  18          1HG       THR  18   5.545  -6.814   7.506
  206   1HG2  THR  18          1HG2      THR  18   6.079  -5.773   3.850
  207   2HG2  THR  18          3HG2      THR  18   7.182  -6.217   5.152
  208   3HG2  THR  18          2HG2      THR  18   6.146  -7.439   4.419
  209    QG2  THR  18           QG2      THR  18   6.469  -6.476   4.473
  210    H    ILE  19           H        ILE  19   1.876  -4.941   5.247
  211    HA   ILE  19           HA       ILE  19   1.443  -4.317   8.134
  212    HB   ILE  19           HB       ILE  19  -0.258  -2.634   7.488
  213   1HG1  ILE  19          2HG1      ILE  19   0.158  -1.909   4.926
  214   2HG1  ILE  19          1HG1      ILE  19   0.449  -3.642   4.770
  215   1HG2  ILE  19          1HG2      ILE  19   2.164  -2.030   7.862
  216   2HG2  ILE  19          3HG2      ILE  19   2.386  -2.085   6.113
  217   3HG2  ILE  19          2HG2      ILE  19   1.287  -0.903   6.825
  218   1HD1  ILE  19          1HD1      ILE  19  -1.800  -3.691   6.274
  219   2HD1  ILE  19          3HD1      ILE  19  -2.068  -2.186   5.393
  220   3HD1  ILE  19          2HD1      ILE  19  -1.828  -3.695   4.510
  221    QG1  ILE  19           QG1      ILE  19   0.303  -2.776   4.848
  222    QG2  ILE  19           QG2      ILE  19   1.946  -1.673   6.933
  223    QD1  ILE  19           QD1      ILE  19  -1.899  -3.191   5.392
  224    H    GLU  20           H        GLU  20  -0.529  -5.164   8.957
  225    HA   GLU  20           HA       GLU  20  -1.669  -7.392   7.377
  226   1HB   GLU  20          2HB       GLU  20  -2.688  -7.960   9.568
  227   2HB   GLU  20          1HB       GLU  20  -0.954  -7.692   9.716
  228   1HG   GLU  20          2HG       GLU  20  -1.356  -6.127  11.285
  229   2HG   GLU  20          1HG       GLU  20  -2.185  -5.155  10.071
  230    QB   GLU  20           QB       GLU  20  -1.821  -7.826   9.642
  231    QG   GLU  20           QG       GLU  20  -1.771  -5.641  10.678
  232    H    ALA  21           H        ALA  21  -3.910  -7.544   6.858
  233    HA   ALA  21           HA       ALA  21  -5.787  -5.410   7.592
  234   1HB   ALA  21          2HB       ALA  21  -4.500  -5.646   4.866
  235   2HB   ALA  21          1HB       ALA  21  -6.055  -4.842   5.086
  236   3HB   ALA  21          3HB       ALA  21  -4.618  -4.218   5.897
  237    QB   ALA  21           QB       ALA  21  -5.058  -4.902   5.283
  238    H    VAL  22           H        VAL  22  -7.964  -5.877   6.752
  239    HA   VAL  22           HA       VAL  22  -8.788  -8.557   6.854
  240    HB   VAL  22           HB       VAL  22 -10.225  -6.574   7.139
  241   1HG1  VAL  22          3HG1      VAL  22  -9.086  -5.335   5.199
  242   2HG1  VAL  22          2HG1      VAL  22 -10.157  -6.245   4.133
  243   3HG1  VAL  22          1HG1      VAL  22 -10.835  -5.146   5.334
  244   1HG2  VAL  22          1HG2      VAL  22 -11.062  -8.896   6.241
  245   2HG2  VAL  22          3HG2      VAL  22 -12.163  -7.519   6.230
  246   3HG2  VAL  22          2HG2      VAL  22 -11.346  -8.009   4.745
  247    QG1  VAL  22           QG1      VAL  22 -10.026  -5.575   4.889
  248    QG2  VAL  22           QG2      VAL  22 -11.524  -8.141   5.739
  249    QQG  VAL  22           QQG      VAL  22 -10.775  -6.858   5.314
  250    H    ASP  23           H        ASP  23  -7.935  -6.594   4.028
  251    HA   ASP  23           HA       ASP  23  -7.368  -8.996   2.432
  252   1HB   ASP  23          2HB       ASP  23  -9.805  -7.280   2.145
  253   2HB   ASP  23          1HB       ASP  23  -9.042  -7.871   0.668
  254    QB   ASP  23           QB       ASP  23  -9.424  -7.575   1.407
  255    H    ALA  24           H        ALA  24  -6.731  -8.145   0.088
  256    HA   ALA  24           HA       ALA  24  -4.632  -6.226   0.383
  257   1HB   ALA  24          2HB       ALA  24  -5.287  -8.104  -1.432
  258   2HB   ALA  24          1HB       ALA  24  -5.893  -6.684  -2.284
  259   3HB   ALA  24          3HB       ALA  24  -4.193  -6.771  -1.817
  260    QB   ALA  24           QB       ALA  24  -5.124  -7.186  -1.845
  261    H    ALA  25           H        ALA  25  -8.001  -5.919  -0.656
  262    HA   ALA  25           HA       ALA  25  -8.016  -3.348  -1.789
  263   1HB   ALA  25          3HB       ALA  25  -9.957  -4.972  -0.158
  264   2HB   ALA  25          2HB       ALA  25 -10.399  -3.358  -0.717
  265   3HB   ALA  25          1HB       ALA  25  -9.999  -4.617  -1.884
  266    QB   ALA  25           QB       ALA  25 -10.118  -4.316  -0.920
  267    H    GLU  26           H        GLU  26  -8.533  -4.222   1.641
  268    HA   GLU  26           HA       GLU  26  -8.638  -1.528   2.644
  269   1HB   GLU  26          2HB       GLU  26  -8.464  -4.297   3.627
  270   2HB   GLU  26          1HB       GLU  26  -7.664  -3.139   4.691
  271   1HG   GLU  26          2HG       GLU  26  -9.945  -1.777   4.162
  272   2HG   GLU  26          1HG       GLU  26 -10.547  -3.429   4.034
  273    QB   GLU  26           QB       GLU  26  -8.064  -3.718   4.159
  274    QG   GLU  26           QG       GLU  26 -10.246  -2.603   4.098
  275    H    ALA  27           H        ALA  27  -5.977  -3.868   2.241
  276    HA   ALA  27           HA       ALA  27  -3.861  -2.470   3.500
  277   1HB   ALA  27          3HB       ALA  27  -4.224  -4.501   1.377
  278   2HB   ALA  27          2HB       ALA  27  -2.692  -3.625   1.295
  279   3HB   ALA  27          1HB       ALA  27  -3.128  -4.510   2.760
  280    QB   ALA  27           QB       ALA  27  -3.348  -4.212   1.811
  281    H    GLU  28           H        GLU  28  -5.040  -2.229   0.134
  282    HA   GLU  28           HA       GLU  28  -3.219  -0.251  -0.808
  283   1HB   GLU  28          2HB       GLU  28  -5.041  -1.718  -1.985
  284   2HB   GLU  28          1HB       GLU  28  -6.127  -0.380  -1.605
  285   1HG   GLU  28          2HG       GLU  28  -4.132   1.056  -2.644
  286   2HG   GLU  28          1HG       GLU  28  -3.798  -0.459  -3.485
  287    QB   GLU  28           QB       GLU  28  -5.584  -1.049  -1.795
  288    QG   GLU  28           QG       GLU  28  -3.965   0.298  -3.065
  289    H    LYS  29           H        LYS  29  -6.258   0.025   1.019
  290    HA   LYS  29           HA       LYS  29  -6.451   2.918   0.895
  291   1HB   LYS  29          2HB       LYS  29  -7.487   0.910   2.933
  292   2HB   LYS  29          1HB       LYS  29  -8.076   2.557   2.729
  293   1HG   LYS  29          2HG       LYS  29  -8.136   0.467   0.537
  294   2HG   LYS  29          1HG       LYS  29  -9.501   0.818   1.595
  295   1HD   LYS  29          2HD       LYS  29  -8.120   2.846  -0.186
  296   2HD   LYS  29          1HD       LYS  29  -9.645   2.046  -0.558
  297   1HE   LYS  29          2HE       LYS  29 -10.039   3.059   2.024
  298   2HE   LYS  29          1HE       LYS  29  -9.163   4.346   1.174
  299   1HZ   LYS  29          3HZ       LYS  29 -10.705   4.084  -0.691
  300   2HZ   LYS  29          2HZ       LYS  29 -11.577   2.919   0.186
  301   3HZ   LYS  29          1HZ       LYS  29 -11.521   4.528   0.728
  302    QB   LYS  29           QB       LYS  29  -7.781   1.733   2.831
  303    QG   LYS  29           QG       LYS  29  -8.819   0.643   1.066
  304    QD   LYS  29           QD       LYS  29  -8.883   2.446  -0.372
  305    QE   LYS  29           QE       LYS  29  -9.601   3.702   1.599
  306    QZ   LYS  29           QZ       LYS  29 -11.268   3.844   0.074
  307    H    ILE  30           H        ILE  30  -5.293   0.646   3.402
  308    HA   ILE  30           HA       ILE  30  -4.307   2.564   5.273
  309    HB   ILE  30           HB       ILE  30  -3.354  -0.242   4.570
  310   1HG1  ILE  30          2HG1      ILE  30  -5.162   0.530   6.856
  311   2HG1  ILE  30          1HG1      ILE  30  -5.828   0.222   5.254
  312   1HG2  ILE  30          3HG2      ILE  30  -2.690   1.665   6.780
  313   2HG2  ILE  30          2HG2      ILE  30  -2.836  -0.047   7.182
  314   3HG2  ILE  30          1HG2      ILE  30  -1.661   0.480   5.978
  315   1HD1  ILE  30          3HD1      ILE  30  -3.956  -1.872   5.916
  316   2HD1  ILE  30          2HD1      ILE  30  -5.126  -1.692   7.225
  317   3HD1  ILE  30          1HD1      ILE  30  -5.685  -2.000   5.583
  318    QG1  ILE  30           QG1      ILE  30  -5.495   0.376   6.055
  319    QG2  ILE  30           QG2      ILE  30  -2.396   0.700   6.647
  320    QD1  ILE  30           QD1      ILE  30  -4.922  -1.855   6.241
  321    H    PHE  31           H        PHE  31  -2.859   1.055   2.421
  322    HA   PHE  31           HA       PHE  31  -0.226   2.256   2.754
  323   1HB   PHE  31          2HB       PHE  31  -1.763   0.772   0.626
  324   2HB   PHE  31          1HB       PHE  31  -0.225   1.528   0.217
  325    HD1  PHE  31          1HD       PHE  31   1.492   1.156   2.461
  326    HD2  PHE  31          2HD       PHE  31  -1.501  -1.515   0.926
  327    HE1  PHE  31          1HE       PHE  31   2.703  -0.770   3.449
  328    HE2  PHE  31          2HE       PHE  31  -0.289  -3.440   1.914
  329   1HZ   PHE  31           HZ       PHE  31   1.812  -3.067   3.176
  330    QB   PHE  31           QB       PHE  31  -0.994   1.150   0.421
  331    QG   PHE  31           QD       PHE  31  -0.005  -0.180   1.694
  332    QZ   PHE  31           QE       PHE  31   1.207  -2.105   2.681
  333    QZ   PHE  31           QR       PHE  31   0.843  -1.527   2.385
  334    H    LYS  32           H        LYS  32  -3.190   3.028   0.969
  335    HA   LYS  32           HA       LYS  32  -2.097   5.302  -0.432
  336   1HB   LYS  32          2HB       LYS  32  -4.816   4.122   0.047
  337   2HB   LYS  32          1HB       LYS  32  -4.642   5.663  -0.790
  338   1HG   LYS  32          2HG       LYS  32  -2.842   3.499  -1.729
  339   2HG   LYS  32          1HG       LYS  32  -4.560   3.257  -2.055
  340   1HD   LYS  32          2HD       LYS  32  -3.020   5.773  -2.762
  341   2HD   LYS  32          1HD       LYS  32  -3.406   4.481  -3.899
  342   1HE   LYS  32          2HE       LYS  32  -5.882   4.871  -3.076
  343   2HE   LYS  32          1HE       LYS  32  -5.256   6.463  -2.600
  344   1HZ   LYS  32          2HZ       LYS  32  -4.878   5.222  -5.276
  345   2HZ   LYS  32          1HZ       LYS  32  -6.028   6.422  -4.923
  346   3HZ   LYS  32          3HZ       LYS  32  -4.374   6.775  -4.803
  347    QB   LYS  32           QB       LYS  32  -4.729   4.893  -0.372
  348    QG   LYS  32           QG       LYS  32  -3.701   3.378  -1.892
  349    QD   LYS  32           QD       LYS  32  -3.213   5.127  -3.330
  350    QE   LYS  32           QE       LYS  32  -5.569   5.667  -2.838
  351    QZ   LYS  32           QZ       LYS  32  -5.093   6.140  -5.001
  352    H    GLN  33           H        GLN  33  -2.749   4.947   2.830
  353    HA   GLN  33           HA       GLN  33  -3.630   7.820   3.129
  354   1HB   GLN  33          2HB       GLN  33  -5.022   5.952   4.142
  355   2HB   GLN  33          1HB       GLN  33  -3.622   5.518   5.125
  356   1HG   GLN  33          2HG       GLN  33  -3.621   7.933   5.951
  357   2HG   GLN  33          1HG       GLN  33  -5.206   8.093   5.193
  358   1HE2  GLN  33          2HE2      GLN  33  -4.821   5.950   8.645
  359   2HE2  GLN  33          1HE2      GLN  33  -3.446   6.526   7.834
  360    QB   GLN  33           QB       GLN  33  -4.322   5.735   4.634
  361    QG   GLN  33           QG       GLN  33  -4.414   8.013   5.572
  362    QE2  GLN  33           QE2      GLN  33  -4.134   6.238   8.240
  363    H    TYR  34           H        TYR  34  -1.559   5.257   4.256
  364    HA   TYR  34           HA       TYR  34   0.311   6.552   5.916
  365   1HB   TYR  34          2HB       TYR  34   0.263   4.203   5.755
  366   2HB   TYR  34          1HB       TYR  34   0.133   4.239   3.992
  367    HD1  TYR  34          2HD       TYR  34   2.496   4.941   6.832
  368    HD2  TYR  34          1HD       TYR  34   2.085   3.943   2.675
  369    HE1  TYR  34          2HE       TYR  34   4.945   4.585   6.675
  370    HE2  TYR  34          1HE       TYR  34   4.534   3.583   2.519
  371    HH   TYR  34           HH       TYR  34   6.695   4.634   4.872
  372    QB   TYR  34           QB       TYR  34   0.198   4.221   4.874
  373    QG   TYR  34           QD       TYR  34   2.290   4.442   4.754
  374    QZ   TYR  34           QE       TYR  34   4.739   4.084   4.597
  375    QR   TYR  34           QR       TYR  34   3.515   4.263   4.675
  376    H    ALA  35           H        ALA  35   0.046   6.375   2.392
  377    HA   ALA  35           HA       ALA  35   2.605   7.565   1.714
  378   1HB   ALA  35          1HB       ALA  35  -0.017   6.947   0.381
  379   2HB   ALA  35          3HB       ALA  35   1.126   8.003  -0.452
  380   3HB   ALA  35          2HB       ALA  35   1.600   6.361  -0.012
  381    QB   ALA  35           QB       ALA  35   0.903   7.104  -0.028
  382    H    ASN  36           H        ASN  36  -0.729   8.876   1.883
  383    HA   ASN  36           HA       ASN  36  -0.156  11.569   1.178
  384   1HB   ASN  36          2HB       ASN  36  -2.237  10.117   2.765
  385   2HB   ASN  36          1HB       ASN  36  -2.241  11.879   2.772
  386   1HD2  ASN  36          2HD2      ASN  36  -2.721  10.096  -0.912
  387   2HD2  ASN  36          1HD2      ASN  36  -1.638   9.407   0.197
  388    QB   ASN  36           QB       ASN  36  -2.239  10.998   2.769
  389    QD2  ASN  36           QD2      ASN  36  -2.180   9.752  -0.357
  390    H    ASP  37           H        ASP  37  -0.280  10.047   4.408
  391    HA   ASP  37           HA       ASP  37   0.277  12.302   6.004
  392   1HB   ASP  37          2HB       ASP  37   0.884   9.360   6.207
  393   2HB   ASP  37          1HB       ASP  37   1.356  10.466   7.499
  394    QB   ASP  37           QB       ASP  37   1.120   9.913   6.853
  395    H    ASN  38           H        ASN  38   2.409  10.548   3.907
  396    HA   ASN  38           HA       ASN  38   4.771  11.929   5.016
  397   1HB   ASN  38          2HB       ASN  38   4.185   9.360   3.716
  398   2HB   ASN  38          1HB       ASN  38   5.652  10.136   3.119
  399   1HD2  ASN  38          2HD2      ASN  38   7.498   9.320   5.998
  400   2HD2  ASN  38          1HD2      ASN  38   7.503   9.840   4.382
  401    QB   ASN  38           QB       ASN  38   4.918   9.748   3.417
  402    QD2  ASN  38           QD2      ASN  38   7.500   9.580   5.190
  403    H    GLY  39           H        GLY  39   2.730  11.696   2.183
  404   1HA   GLY  39          2HA       GLY  39   2.645  13.648   0.664
  405   2HA   GLY  39          1HA       GLY  39   4.389  13.815   0.879
  406    QA   GLY  39           QA       GLY  39   3.517  13.732   0.771
  407    H    ILE  40           H        ILE  40   2.833  10.706   0.438
  408    HA   ILE  40           HA       ILE  40   4.402  10.300  -2.050
  409    HB   ILE  40           HB       ILE  40   3.142   8.677   0.121
  410   1HG1  ILE  40          2HG1      ILE  40   5.369   7.521  -0.064
  411   2HG1  ILE  40          1HG1      ILE  40   5.798   8.709  -1.299
  412   1HG2  ILE  40          1HG2      ILE  40   2.300   7.651  -2.034
  413   2HG2  ILE  40          3HG2      ILE  40   3.987   7.374  -2.470
  414   3HG2  ILE  40          2HG2      ILE  40   3.301   6.596  -1.041
  415   1HD1  ILE  40          1HD1      ILE  40   4.790   9.478   1.441
  416   2HD1  ILE  40          3HD1      ILE  40   6.509   9.308   1.066
  417   3HD1  ILE  40          2HD1      ILE  40   5.539  10.525   0.228
  418    QG1  ILE  40           QG1      ILE  40   5.584   8.115  -0.681
  419    QG2  ILE  40           QG2      ILE  40   3.196   7.207  -1.848
  420    QD1  ILE  40           QD1      ILE  40   5.613   9.770   0.912
  421    H    ASP  41           H        ASP  41   3.279  11.101  -3.768
  422    HA   ASP  41           HA       ASP  41   0.497  10.086  -4.217
  423   1HB   ASP  41          2HB       ASP  41   0.993  12.566  -3.248
  424   2HB   ASP  41          1HB       ASP  41   1.089  12.896  -4.978
  425    QB   ASP  41           QB       ASP  41   1.041  12.731  -4.113
  426    H    GLY  42           H        GLY  42   0.735   8.919  -6.088
  427   1HA   GLY  42          2HA       GLY  42   1.491  10.262  -8.548
  428   2HA   GLY  42          1HA       GLY  42   2.688   9.063  -8.060
  429    QA   GLY  42           QA       GLY  42   2.090   9.663  -8.304
  430    H    GLU  43           H        GLU  43   2.300   6.960  -8.629
  431    HA   GLU  43           HA       GLU  43  -0.418   6.303  -9.733
  432   1HB   GLU  43          2HB       GLU  43   2.036   6.206 -10.902
  433   2HB   GLU  43          1HB       GLU  43   1.936   4.570 -10.253
  434   1HG   GLU  43          2HG       GLU  43   0.959   4.390 -12.398
  435   2HG   GLU  43          1HG       GLU  43  -0.424   4.504 -11.312
  436    QB   GLU  43           QB       GLU  43   1.986   5.388 -10.577
  437    QG   GLU  43           QG       GLU  43   0.268   4.447 -11.855
  438    H    TRP  44           H        TRP  44  -0.891   3.825  -9.507
  439    HA   TRP  44           HA       TRP  44   0.170   2.576  -7.010
  440   1HB   TRP  44          2HB       TRP  44  -2.581   3.722  -7.463
  441   2HB   TRP  44          1HB       TRP  44  -2.397   2.292  -6.443
  442    HD1  TRP  44           HD       TRP  44  -1.467   5.994  -6.602
  443    HE1  TRP  44          1HE       TRP  44  -0.681   6.728  -4.258
  444    HE3  TRP  44          3HE       TRP  44  -1.383   1.471  -4.280
  445    HZ2  TRP  44          2HZ       TRP  44  -0.087   5.535  -1.726
  446    HZ3  TRP  44          3HZ       TRP  44  -0.706   1.292  -1.897
  447    HH2  TRP  44           HH       TRP  44  -0.048   3.316  -0.631
  448    QB   TRP  44           QB       TRP  44  -2.489   3.007  -6.953
  449    H    THR  45           H        THR  45   0.320   0.407  -7.359
  450    HA   THR  45           HA       THR  45  -1.631  -0.917  -9.191
  451    HB   THR  45           HB       THR  45   0.069  -1.859 -10.549
  452    HG1  THR  45          1HG       THR  45   1.618  -2.552  -9.270
  453   1HG2  THR  45          3HG2      THR  45  -0.245   0.548 -10.993
  454   2HG2  THR  45          2HG2      THR  45   1.053   0.917  -9.855
  455   3HG2  THR  45          1HG2      THR  45   1.407   0.038 -11.345
  456    QG2  THR  45           QG2      THR  45   0.738   0.501 -10.731
  457    H    TYR  46           H        TYR  46  -2.247  -2.872  -8.383
  458    HA   TYR  46           HA       TYR  46  -0.911  -3.824  -5.900
  459   1HB   TYR  46          2HB       TYR  46  -3.284  -3.456  -5.754
  460   2HB   TYR  46          1HB       TYR  46  -3.578  -4.373  -7.235
  461    HD1  TYR  46          1HD       TYR  46  -1.663  -4.947  -4.052
  462    HD2  TYR  46          2HD       TYR  46  -4.539  -6.465  -6.856
  463    HE1  TYR  46          1HE       TYR  46  -1.846  -7.034  -2.731
  464    HE2  TYR  46          2HE       TYR  46  -4.723  -8.556  -5.532
  465    HH   TYR  46           HH       TYR  46  -2.734  -9.704  -3.624
  466    QB   TYR  46           QB       TYR  46  -3.431  -3.914  -6.495
  467    QG   TYR  46           QD       TYR  46  -3.101  -5.706  -5.454
  468    QZ   TYR  46           QE       TYR  46  -3.284  -7.795  -4.131
  469    QR   TYR  46           QR       TYR  46  -3.193  -6.750  -4.793
  470    H    ASP  47           H        ASP  47  -0.012  -5.883  -5.755
  471    HA   ASP  47           HA       ASP  47   0.274  -7.402  -8.325
  472   1HB   ASP  47          2HB       ASP  47   2.226  -6.225  -6.967
  473   2HB   ASP  47          1HB       ASP  47   2.108  -7.667  -5.960
  474    QB   ASP  47           QB       ASP  47   2.167  -6.946  -6.464
  475    H    ASP  48           H        ASP  48  -1.472  -8.851  -8.071
  476    HA   ASP  48           HA       ASP  48  -2.152 -10.163  -5.594
  477   1HB   ASP  48          2HB       ASP  48  -3.572 -11.539  -7.104
  478   2HB   ASP  48          1HB       ASP  48  -3.720  -9.817  -7.445
  479    QB   ASP  48           QB       ASP  48  -3.646 -10.678  -7.275
  480    H    ALA  49           H        ALA  49   0.498 -10.663  -7.646
  481    HA   ALA  49           HA       ALA  49   0.694 -13.575  -7.178
  482   1HB   ALA  49          2HB       ALA  49   1.256 -12.555  -9.364
  483   2HB   ALA  49          1HB       ALA  49   2.487 -11.563  -8.582
  484   3HB   ALA  49          3HB       ALA  49   2.675 -13.315  -8.644
  485    QB   ALA  49           QB       ALA  49   2.139 -12.478  -8.864
  486    H    THR  50           H        THR  50   1.996 -10.525  -6.008
  487    HA   THR  50           HA       THR  50   3.732 -12.042  -4.089
  488    HB   THR  50           HB       THR  50   5.197 -10.026  -4.207
  489    HG1  THR  50          1HG       THR  50   4.696  -8.557  -5.936
  490   1HG2  THR  50          1HG2      THR  50   5.279 -12.065  -5.827
  491   2HG2  THR  50          3HG2      THR  50   4.660 -10.929  -7.025
  492   3HG2  THR  50          2HG2      THR  50   6.209 -10.623  -6.237
  493    QG2  THR  50           QG2      THR  50   5.383 -11.206  -6.363
  494    H    LYS  51           H        LYS  51   0.868 -10.410  -4.272
  495    HA   LYS  51           HA       LYS  51  -0.450  -9.220  -2.722
  496   1HB   LYS  51          2HB       LYS  51   1.606 -10.476  -0.869
  497   2HB   LYS  51          1HB       LYS  51   0.052  -9.817  -0.360
  498   1HG   LYS  51          2HG       LYS  51   0.122 -11.889  -2.530
  499   2HG   LYS  51          1HG       LYS  51   0.280 -12.394  -0.847
  500   1HD   LYS  51          2HD       LYS  51  -1.811 -11.046  -0.355
  501   2HD   LYS  51          1HD       LYS  51  -2.008 -10.858  -2.098
  502   1HE   LYS  51          2HE       LYS  51  -3.227 -12.801  -1.868
  503   2HE   LYS  51          1HE       LYS  51  -1.622 -13.555  -1.940
  504   1HZ   LYS  51          1HZ       LYS  51  -1.455 -13.314   0.472
  505   2HZ   LYS  51          3HZ       LYS  51  -3.019 -12.658   0.527
  506   3HZ   LYS  51          2HZ       LYS  51  -2.793 -14.271   0.045
  507    QB   LYS  51           QB       LYS  51   0.829 -10.146  -0.614
  508    QG   LYS  51           QG       LYS  51   0.201 -12.142  -1.689
  509    QD   LYS  51           QD       LYS  51  -1.909 -10.952  -1.227
  510    QE   LYS  51           QE       LYS  51  -2.425 -13.178  -1.904
  511    QZ   LYS  51           QZ       LYS  51  -2.422 -13.414   0.348
  512    H    THR  52           H        THR  52   1.739  -7.786  -4.002
  513    HA   THR  52           HA       THR  52   2.343  -5.775  -1.844
  514    HB   THR  52           HB       THR  52   4.098  -6.421  -4.220
  515    HG1  THR  52          1HG       THR  52   5.206  -7.809  -2.851
  516   1HG2  THR  52          2HG2      THR  52   4.314  -4.830  -1.700
  517   2HG2  THR  52          1HG2      THR  52   5.770  -5.611  -2.320
  518   3HG2  THR  52          3HG2      THR  52   4.898  -4.449  -3.320
  519    QG2  THR  52           QG2      THR  52   4.994  -4.963  -2.446
  520    H    PHE  53           H        PHE  53   2.057  -3.604  -2.434
  521    HA   PHE  53           HA       PHE  53   0.662  -3.126  -5.012
  522   1HB   PHE  53          2HB       PHE  53   1.009  -1.613  -2.418
  523   2HB   PHE  53          1HB       PHE  53   0.223  -0.890  -3.822
  524    HD1  PHE  53          2HD       PHE  53   0.059  -3.744  -1.429
  525    HD2  PHE  53          1HD       PHE  53  -2.033  -1.452  -4.408
  526    HE1  PHE  53          2HE       PHE  53  -2.065  -4.891  -0.828
  527    HE2  PHE  53          1HE       PHE  53  -4.141  -2.596  -3.803
  528   1HZ   PHE  53           HZ       PHE  53  -4.157  -4.315  -2.019
  529    QB   PHE  53           QB       PHE  53   0.616  -1.252  -3.120
  530    QG   PHE  53           QD       PHE  53  -0.987  -2.598  -2.918
  531    QZ   PHE  53           QE       PHE  53  -3.103  -3.744  -2.315
  532    QZ   PHE  53           QR       PHE  53  -2.467  -3.400  -2.497
  533    H    THR  54           H        THR  54   1.303  -0.435  -5.526
  534    HA   THR  54           HA       THR  54   4.233  -0.116  -5.488
  535    HB   THR  54           HB       THR  54   2.880  -0.125  -8.173
  536    HG1  THR  54          1HG       THR  54   3.533  -2.355  -8.328
  537   1HG2  THR  54          2HG2      THR  54   5.644  -0.374  -7.059
  538   2HG2  THR  54          1HG2      THR  54   5.295  -1.102  -8.627
  539   3HG2  THR  54          3HG2      THR  54   5.056   0.629  -8.387
  540    QG2  THR  54           QG2      THR  54   5.332  -0.282  -8.024
  541    H    VAL  55           H        VAL  55   3.707   1.815  -4.410
  542    HA   VAL  55           HA       VAL  55   1.920   3.726  -5.771
  543    HB   VAL  55           HB       VAL  55   1.520   3.458  -3.434
  544   1HG1  VAL  55          2HG1      VAL  55   4.496   3.937  -3.070
  545   2HG1  VAL  55          1HG1      VAL  55   3.327   3.979  -1.751
  546   3HG1  VAL  55          3HG1      VAL  55   3.567   2.486  -2.655
  547   1HG2  VAL  55          2HG2      VAL  55   1.455   5.796  -4.302
  548   2HG2  VAL  55          1HG2      VAL  55   1.836   5.715  -2.582
  549   3HG2  VAL  55          3HG2      VAL  55   3.117   6.013  -3.756
  550    QG1  VAL  55           QG1      VAL  55   3.797   3.467  -2.492
  551    QG2  VAL  55           QG2      VAL  55   2.136   5.842  -3.547
  552    QQG  VAL  55           QQG      VAL  55   2.966   4.654  -3.019
  553    H    THR  56           H        THR  56   2.860   4.826  -7.365
  554    HA   THR  56           HA       THR  56   5.689   5.672  -7.208
  555    HB   THR  56           HB       THR  56   3.473   5.494  -9.239
  556    HG1  THR  56          1HG       THR  56   4.813   4.107 -10.107
  557   1HG2  THR  56          2HG2      THR  56   5.962   7.191  -9.587
  558   2HG2  THR  56          1HG2      THR  56   4.907   6.685 -10.906
  559   3HG2  THR  56          3HG2      THR  56   4.288   7.749  -9.641
  560    QG2  THR  56           QG2      THR  56   5.053   7.208 -10.045
  561    H    GLU  57           H        GLU  57   6.056   8.088  -7.816
  562    HA   GLU  57           HA       GLU  57   3.907   9.842  -6.688
  563   1HB   GLU  57          2HB       GLU  57   5.649   9.216  -4.999
  564   2HB   GLU  57          1HB       GLU  57   6.873   9.940  -6.042
  565   1HG   GLU  57          2HG       GLU  57   4.550  11.684  -5.487
  566   2HG   GLU  57          1HG       GLU  57   5.527  11.294  -4.073
  567    QB   GLU  57           QB       GLU  57   6.261   9.578  -5.520
  568    QG   GLU  57           QG       GLU  57   5.039  11.489  -4.780
   
  No H/Q in entry =         568
  Start of MODEL    2
    1   1H    MET   1          3HT       MET   1  -1.353 -12.279   8.580
    2   2H    MET   1          2HT       MET   1  -0.988 -13.758   9.331
    3   3H    MET   1          1HT       MET   1  -0.079 -13.234   7.995
    4    HA   MET   1           HA       MET   1  -1.599 -14.934   7.257
    5   1HB   MET   1          2HB       MET   1  -3.050 -14.125   9.355
    6   2HB   MET   1          1HB       MET   1  -3.897 -13.216   8.104
    7   1HG   MET   1          2HG       MET   1  -3.791 -15.563   6.841
    8   2HG   MET   1          1HG       MET   1  -3.694 -16.172   8.493
    9   1HE   MET   1          2HE       MET   1  -5.442 -16.116  10.211
   10   2HE   MET   1          1HE       MET   1  -5.243 -14.367  10.281
   11   3HE   MET   1          3HE       MET   1  -6.863 -15.074  10.215
   12    QB   MET   1           QB       MET   1  -3.473 -13.671   8.730
   13    QG   MET   1           QG       MET   1  -3.742 -15.868   7.667
   14    QE   MET   1           QE       MET   1  -5.849 -15.186  10.236
   15    H    THR   2           H        THR   2  -2.681 -11.512   7.294
   16    HA   THR   2           HA       THR   2  -2.681 -11.577   4.292
   17    HB   THR   2           HB       THR   2  -4.311  -9.878   6.208
   18    HG1  THR   2          1HG       THR   2  -5.033 -12.160   4.686
   19   1HG2  THR   2          2HG2      THR   2  -4.033 -10.055   3.251
   20   2HG2  THR   2          1HG2      THR   2  -5.666  -9.860   3.885
   21   3HG2  THR   2          3HG2      THR   2  -4.426  -8.665   4.263
   22    QG2  THR   2           QG2      THR   2  -4.708  -9.527   3.800
   23    H    THR   3           H        THR   3  -0.370 -10.930   6.013
   24    HA   THR   3           HA       THR   3   0.034  -8.122   6.341
   25    HB   THR   3           HB       THR   3   2.065 -10.269   5.655
   26    HG1  THR   3          1HG       THR   3   2.011 -10.804   7.766
   27   1HG2  THR   3          1HG2      THR   3   2.484  -7.599   5.928
   28   2HG2  THR   3          3HG2      THR   3   2.629  -8.114   7.609
   29   3HG2  THR   3          2HG2      THR   3   3.675  -8.820   6.376
   30    QG2  THR   3           QG2      THR   3   2.929  -8.178   6.638
   31    H    PHE   4           H        PHE   4  -0.665  -6.966   4.487
   32    HA   PHE   4           HA       PHE   4   0.368  -7.636   1.816
   33   1HB   PHE   4          2HB       PHE   4  -1.546  -5.756   3.102
   34   2HB   PHE   4          1HB       PHE   4  -0.842  -5.223   1.574
   35    HD1  PHE   4          1HD       PHE   4  -0.835  -6.977  -0.364
   36    HD2  PHE   4          2HD       PHE   4  -3.386  -7.215   3.082
   37    HE1  PHE   4          1HE       PHE   4  -2.353  -8.497  -1.597
   38    HE2  PHE   4          2HE       PHE   4  -4.909  -8.733   1.841
   39   1HZ   PHE   4           HZ       PHE   4  -4.391  -9.376  -0.494
   40    QB   PHE   4           QB       PHE   4  -1.194  -5.490   2.338
   41    QG   PHE   4           QD       PHE   4  -2.110  -7.096   1.359
   42    QZ   PHE   4           QE       PHE   4  -3.631  -8.615   0.122
   43    QZ   PHE   4           QR       PHE   4  -3.175  -8.160   0.494
   44    H    LYS   5           H        LYS   5   2.004  -6.506   0.733
   45    HA   LYS   5           HA       LYS   5   3.660  -4.680   2.415
   46   1HB   LYS   5          2HB       LYS   5   4.222  -6.243  -0.126
   47   2HB   LYS   5          1HB       LYS   5   5.416  -5.297   0.761
   48   1HG   LYS   5          2HG       LYS   5   4.660  -6.757   2.804
   49   2HG   LYS   5          1HG       LYS   5   4.063  -7.857   1.561
   50   1HD   LYS   5          2HD       LYS   5   6.880  -6.764   1.514
   51   2HD   LYS   5          1HD       LYS   5   6.465  -8.253   2.365
   52   1HE   LYS   5          2HE       LYS   5   5.490  -9.139   0.216
   53   2HE   LYS   5          1HE       LYS   5   6.126  -7.699  -0.602
   54   1HZ   LYS   5          3HZ       LYS   5   7.770  -9.511   1.081
   55   2HZ   LYS   5          2HZ       LYS   5   7.687  -9.616  -0.613
   56   3HZ   LYS   5          1HZ       LYS   5   8.324  -8.224   0.125
   57    QB   LYS   5           QB       LYS   5   4.819  -5.770   0.317
   58    QG   LYS   5           QG       LYS   5   4.361  -7.307   2.183
   59    QD   LYS   5           QD       LYS   5   6.672  -7.508   1.940
   60    QE   LYS   5           QE       LYS   5   5.808  -8.419  -0.193
   61    QZ   LYS   5           QZ       LYS   5   7.927  -9.117   0.198
   62    H    LEU   6           H        LEU   6   4.980  -3.128   0.762
   63    HA   LEU   6           HA       LEU   6   3.375  -2.037  -1.435
   64   1HB   LEU   6          2HB       LEU   6   2.194  -1.198   0.562
   65   2HB   LEU   6          1HB       LEU   6   3.704  -0.540   1.191
   66    HG   LEU   6           HG       LEU   6   3.709   0.656  -1.223
   67   1HD1  LEU   6          2HD1      LEU   6   0.945  -0.285  -0.761
   68   2HD1  LEU   6          1HD1      LEU   6   1.095   1.416  -1.200
   69   3HD1  LEU   6          3HD1      LEU   6   1.747   0.174  -2.264
   70   1HD2  LEU   6          2HD2      LEU   6   3.505   1.495   1.324
   71   2HD2  LEU   6          1HD2      LEU   6   3.301   2.587  -0.046
   72   3HD2  LEU   6          3HD2      LEU   6   1.887   1.921   0.765
   73    QB   LEU   6           QB       LEU   6   2.949  -0.869   0.877
   74    QD1  LEU   6           QD1      LEU   6   1.262   0.435  -1.408
   75    QD2  LEU   6           QD2      LEU   6   2.898   2.001   0.681
   76    QQD  LEU   6           QQD      LEU   6   2.080   1.218  -0.364
   77    H    ILE   7           H        ILE   7   5.090  -1.780  -2.825
   78    HA   ILE   7           HA       ILE   7   7.729  -0.872  -1.870
   79    HB   ILE   7           HB       ILE   7   6.593  -1.511  -4.622
   80   1HG1  ILE   7          2HG1      ILE   7   8.379  -3.186  -2.830
   81   2HG1  ILE   7          1HG1      ILE   7   6.632  -3.400  -2.948
   82   1HG2  ILE   7          2HG2      ILE   7   8.607  -0.041  -4.658
   83   2HG2  ILE   7          1HG2      ILE   7   9.477  -1.252  -3.716
   84   3HG2  ILE   7          3HG2      ILE   7   8.924  -1.634  -5.346
   85   1HD1  ILE   7          1HD1      ILE   7   8.443  -3.467  -5.369
   86   2HD1  ILE   7          3HD1      ILE   7   8.035  -4.915  -4.449
   87   3HD1  ILE   7          2HD1      ILE   7   6.764  -3.997  -5.258
   88    QG1  ILE   7           QG1      ILE   7   7.505  -3.293  -2.889
   89    QG2  ILE   7           QG2      ILE   7   9.003  -0.976  -4.573
   90    QD1  ILE   7           QD1      ILE   7   7.747  -4.126  -5.026
   91    H    ILE   8           H        ILE   8   8.025   1.327  -1.607
   92    HA   ILE   8           HA       ILE   8   6.194   3.193  -2.958
   93    HB   ILE   8           HB       ILE   8   8.622   3.949  -1.332
   94   1HG1  ILE   8          2HG1      ILE   8   6.994   2.160  -0.184
   95   2HG1  ILE   8          1HG1      ILE   8   7.603   3.528   0.722
   96   1HG2  ILE   8          1HG2      ILE   8   6.049   5.195  -2.212
   97   2HG2  ILE   8          3HG2      ILE   8   6.763   5.737  -0.688
   98   3HG2  ILE   8          2HG2      ILE   8   7.684   5.874  -2.187
   99   1HD1  ILE   8          1HD1      ILE   8   4.994   3.774  -0.742
  100   2HD1  ILE   8          3HD1      ILE   8   5.048   2.939   0.808
  101   3HD1  ILE   8          2HD1      ILE   8   5.545   4.627   0.698
  102    QG1  ILE   8           QG1      ILE   8   7.298   2.844   0.269
  103    QG2  ILE   8           QG2      ILE   8   6.832   5.602  -1.696
  104    QD1  ILE   8           QD1      ILE   8   5.196   3.780   0.255
  105    H    ASN   9           H        ASN   9   6.648   3.840  -5.022
  106    HA   ASN   9           HA       ASN   9   9.487   3.836  -5.951
  107   1HB   ASN   9          2HB       ASN   9   7.755   2.526  -7.167
  108   2HB   ASN   9          1HB       ASN   9   6.850   4.014  -7.448
  109   1HD2  ASN   9          2HD2      ASN   9   8.716   4.754 -10.329
  110   2HD2  ASN   9          1HD2      ASN   9   7.252   4.884  -9.479
  111    QB   ASN   9           QB       ASN   9   7.303   3.270  -7.307
  112    QD2  ASN   9           QD2      ASN   9   7.984   4.819  -9.904
  113    H    GLY  10           H        GLY  10   9.392   5.945  -4.424
  114   1HA   GLY  10          2HA       GLY  10   8.903   8.252  -6.258
  115   2HA   GLY  10          1HA       GLY  10   8.366   8.328  -4.579
  116    QA   GLY  10           QA       GLY  10   8.634   8.290  -5.418
  117    H    LYS  11           H        LYS  11   9.733   9.747  -3.594
  118    HA   LYS  11           HA       LYS  11  12.674   9.218  -3.830
  119   1HB   LYS  11          2HB       LYS  11  12.974  11.689  -3.796
  120   2HB   LYS  11          1HB       LYS  11  12.030  11.161  -5.186
  121   1HG   LYS  11          2HG       LYS  11   9.941  11.690  -3.902
  122   2HG   LYS  11          1HG       LYS  11  10.950  12.351  -2.615
  123   1HD   LYS  11          2HD       LYS  11  12.012  13.785  -4.522
  124   2HD   LYS  11          1HD       LYS  11  10.541  13.384  -5.410
  125   1HE   LYS  11          2HE       LYS  11   9.199  14.251  -3.461
  126   2HE   LYS  11          1HE       LYS  11  10.719  14.806  -2.732
  127   1HZ   LYS  11          3HZ       LYS  11   9.803  15.509  -5.471
  128   2HZ   LYS  11          2HZ       LYS  11   9.658  16.527  -4.118
  129   3HZ   LYS  11          1HZ       LYS  11  11.195  16.088  -4.694
  130    QB   LYS  11           QB       LYS  11  12.502  11.425  -4.491
  131    QG   LYS  11           QG       LYS  11  10.445  12.020  -3.259
  132    QD   LYS  11           QD       LYS  11  11.277  13.584  -4.966
  133    QE   LYS  11           QE       LYS  11   9.959  14.529  -3.096
  134    QZ   LYS  11           QZ       LYS  11  10.218  16.041  -4.761
  135    H    THR  12           H        THR  12  10.060  10.660  -1.869
  136    HA   THR  12           HA       THR  12  11.661  11.046   0.512
  137    HB   THR  12           HB       THR  12   9.260  11.097   1.509
  138    HG1  THR  12          1HG       THR  12   7.695  11.319  -0.201
  139   1HG2  THR  12          1HG2      THR  12  10.082  12.895  -0.785
  140   2HG2  THR  12          3HG2      THR  12   8.791  13.267   0.357
  141   3HG2  THR  12          2HG2      THR  12  10.456  13.128   0.922
  142    QG2  THR  12           QG2      THR  12   9.776  13.097   0.164
  143    H    LEU  13           H        LEU  13   9.341   8.527  -0.493
  144    HA   LEU  13           HA       LEU  13  10.375   6.758   1.694
  145   1HB   LEU  13          2HB       LEU  13   7.760   7.241   0.340
  146   2HB   LEU  13          1HB       LEU  13   8.096   5.587   0.851
  147    HG   LEU  13           HG       LEU  13   8.283   8.021   2.651
  148   1HD1  LEU  13          1HD1      LEU  13   6.085   6.111   1.991
  149   2HD1  LEU  13          3HD1      LEU  13   6.266   6.582   3.681
  150   3HD1  LEU  13          2HD1      LEU  13   5.995   7.813   2.448
  151   1HD2  LEU  13          2HD2      LEU  13   8.798   5.082   2.978
  152   2HD2  LEU  13          1HD2      LEU  13   9.690   6.451   3.641
  153   3HD2  LEU  13          3HD2      LEU  13   8.142   5.983   4.345
  154    QB   LEU  13           QB       LEU  13   7.928   6.414   0.595
  155    QD1  LEU  13           QD1      LEU  13   6.115   6.835   2.707
  156    QD2  LEU  13           QD2      LEU  13   8.877   5.839   3.655
  157    QQD  LEU  13           QQD      LEU  13   7.496   6.337   3.181
  158    H    LYS  14           H        LYS  14  10.744   4.489   1.097
  159    HA   LYS  14           HA       LYS  14  10.591   3.553  -1.609
  160   1HB   LYS  14          2HB       LYS  14  13.052   3.556  -2.048
  161   2HB   LYS  14          1HB       LYS  14  12.394   5.183  -1.901
  162   1HG   LYS  14          2HG       LYS  14  13.035   4.814   0.668
  163   2HG   LYS  14          1HG       LYS  14  14.194   3.691  -0.040
  164   1HD   LYS  14          2HD       LYS  14  15.471   5.588  -0.196
  165   2HD   LYS  14          1HD       LYS  14  14.561   5.788  -1.694
  166   1HE   LYS  14          2HE       LYS  14  12.934   7.231  -0.550
  167   2HE   LYS  14          1HE       LYS  14  13.788   6.995   0.989
  168   1HZ   LYS  14          1HZ       LYS  14  15.031   8.071  -1.487
  169   2HZ   LYS  14          3HZ       LYS  14  14.507   9.025  -0.185
  170   3HZ   LYS  14          2HZ       LYS  14  15.775   7.915   0.032
  171    QB   LYS  14           QB       LYS  14  12.723   4.369  -1.974
  172    QG   LYS  14           QG       LYS  14  13.615   4.252   0.314
  173    QD   LYS  14           QD       LYS  14  15.016   5.688  -0.945
  174    QE   LYS  14           QE       LYS  14  13.361   7.113   0.219
  175    QZ   LYS  14           QZ       LYS  14  15.105   8.337  -0.547
  176    H    GLY  15           H        GLY  15   9.660   1.788  -0.364
  177   1HA   GLY  15          2HA       GLY  15  11.452  -0.360   0.171
  178   2HA   GLY  15          1HA       GLY  15  10.998   0.375   1.709
  179    QA   GLY  15           QA       GLY  15  11.225   0.007   0.940
  180    H    GLU  16           H        GLU  16  10.277  -2.269   1.026
  181    HA   GLU  16           HA       GLU  16   7.478  -2.269   0.123
  182   1HB   GLU  16          2HB       GLU  16   7.783  -4.704   0.356
  183   2HB   GLU  16          1HB       GLU  16   9.141  -3.983  -0.503
  184   1HG   GLU  16          2HG       GLU  16   9.906  -3.842   2.178
  185   2HG   GLU  16          1HG       GLU  16   9.116  -5.412   2.045
  186    QB   GLU  16           QB       GLU  16   8.462  -4.344  -0.073
  187    QG   GLU  16           QG       GLU  16   9.511  -4.627   2.112
  188    H    ILE  17           H        ILE  17   6.877  -0.785   2.038
  189    HA   ILE  17           HA       ILE  17   6.967  -1.565   4.764
  190    HB   ILE  17           HB       ILE  17   4.835  -0.054   3.210
  191   1HG1  ILE  17          2HG1      ILE  17   6.849   1.381   4.843
  192   2HG1  ILE  17          1HG1      ILE  17   7.498   0.565   3.421
  193   1HG2  ILE  17          1HG2      ILE  17   4.230  -0.830   5.563
  194   2HG2  ILE  17          3HG2      ILE  17   5.540   0.197   6.144
  195   3HG2  ILE  17          2HG2      ILE  17   4.167   0.912   5.300
  196   1HD1  ILE  17          3HD1      ILE  17   4.995   2.180   3.114
  197   2HD1  ILE  17          2HD1      ILE  17   6.536   3.030   3.243
  198   3HD1  ILE  17          1HD1      ILE  17   6.277   1.865   1.944
  199    QG1  ILE  17           QG1      ILE  17   7.173   0.973   4.132
  200    QG2  ILE  17           QG2      ILE  17   4.646   0.093   5.669
  201    QD1  ILE  17           QD1      ILE  17   5.936   2.359   2.767
  202    H    THR  18           H        THR  18   6.128  -3.374   5.704
  203    HA   THR  18           HA       THR  18   3.915  -4.844   4.359
  204    HB   THR  18           HB       THR  18   4.660  -6.659   5.881
  205    HG1  THR  18          1HG       THR  18   5.529  -5.935   7.643
  206   1HG2  THR  18          2HG2      THR  18   6.031  -5.627   3.707
  207   2HG2  THR  18          1HG2      THR  18   7.286  -5.758   4.939
  208   3HG2  THR  18          3HG2      THR  18   6.354  -7.181   4.476
  209    QG2  THR  18           QG2      THR  18   6.557  -6.189   4.374
  210    H    ILE  19           H        ILE  19   1.881  -4.919   5.241
  211    HA   ILE  19           HA       ILE  19   1.503  -4.263   8.118
  212    HB   ILE  19           HB       ILE  19  -0.220  -2.579   7.514
  213   1HG1  ILE  19          2HG1      ILE  19   0.178  -1.829   4.952
  214   2HG1  ILE  19          1HG1      ILE  19   0.458  -3.562   4.782
  215   1HG2  ILE  19          3HG2      ILE  19   2.279  -2.051   7.812
  216   2HG2  ILE  19          2HG2      ILE  19   2.341  -1.921   6.055
  217   3HG2  ILE  19          1HG2      ILE  19   1.304  -0.839   6.983
  218   1HD1  ILE  19          1HD1      ILE  19  -1.771  -3.661   6.273
  219   2HD1  ILE  19          3HD1      ILE  19  -2.044  -2.101   5.498
  220   3HD1  ILE  19          2HD1      ILE  19  -1.831  -3.549   4.514
  221    QG1  ILE  19           QG1      ILE  19   0.318  -2.695   4.867
  222    QG2  ILE  19           QG2      ILE  19   1.975  -1.604   6.950
  223    QD1  ILE  19           QD1      ILE  19  -1.882  -3.104   5.428
  224    H    GLU  20           H        GLU  20  -0.268  -5.328   9.008
  225    HA   GLU  20           HA       GLU  20  -1.496  -7.466   7.420
  226   1HB   GLU  20          2HB       GLU  20  -0.756  -7.107  10.029
  227   2HB   GLU  20          1HB       GLU  20  -2.494  -6.820  10.134
  228   1HG   GLU  20          2HG       GLU  20  -3.026  -8.983   9.570
  229   2HG   GLU  20          1HG       GLU  20  -1.615  -9.168   8.526
  230    QB   GLU  20           QB       GLU  20  -1.625  -6.963  10.082
  231    QG   GLU  20           QG       GLU  20  -2.321  -9.076   9.048
  232    H    ALA  21           H        ALA  21  -3.630  -7.527   6.709
  233    HA   ALA  21           HA       ALA  21  -5.546  -5.424   7.527
  234   1HB   ALA  21          1HB       ALA  21  -4.430  -5.764   4.724
  235   2HB   ALA  21          3HB       ALA  21  -5.832  -4.765   5.112
  236   3HB   ALA  21          2HB       ALA  21  -4.248  -4.353   5.769
  237    QB   ALA  21           QB       ALA  21  -4.837  -4.961   5.202
  238    H    VAL  22           H        VAL  22  -7.730  -5.907   6.699
  239    HA   VAL  22           HA       VAL  22  -8.501  -8.617   6.836
  240    HB   VAL  22           HB       VAL  22  -9.965  -6.672   7.220
  241   1HG1  VAL  22          1HG1      VAL  22  -8.872  -5.510   5.099
  242   2HG1  VAL  22          3HG1      VAL  22 -10.239  -6.248   4.266
  243   3HG1  VAL  22          2HG1      VAL  22 -10.518  -5.116   5.589
  244   1HG2  VAL  22          3HG2      VAL  22 -10.899  -8.416   4.917
  245   2HG2  VAL  22          2HG2      VAL  22 -11.017  -8.820   6.629
  246   3HG2  VAL  22          1HG2      VAL  22 -11.949  -7.473   5.974
  247    QG1  VAL  22           QG1      VAL  22  -9.877  -5.625   4.985
  248    QG2  VAL  22           QG2      VAL  22 -11.288  -8.236   5.840
  249    QQG  VAL  22           QQG      VAL  22 -10.582  -6.931   5.412
  250    H    ASP  23           H        ASP  23  -7.601  -6.633   4.068
  251    HA   ASP  23           HA       ASP  23  -7.092  -8.972   2.405
  252   1HB   ASP  23          2HB       ASP  23  -8.825  -8.328   0.694
  253   2HB   ASP  23          1HB       ASP  23  -9.521  -8.880   2.214
  254    QB   ASP  23           QB       ASP  23  -9.173  -8.604   1.454
  255    H    ALA  24           H        ALA  24  -6.784  -7.957  -0.038
  256    HA   ALA  24           HA       ALA  24  -4.633  -6.047   0.221
  257   1HB   ALA  24          2HB       ALA  24  -5.420  -7.897  -1.611
  258   2HB   ALA  24          1HB       ALA  24  -5.974  -6.422  -2.403
  259   3HB   ALA  24          3HB       ALA  24  -4.273  -6.606  -1.973
  260    QB   ALA  24           QB       ALA  24  -5.222  -6.975  -1.996
  261    H    ALA  25           H        ALA  25  -8.069  -5.786  -0.513
  262    HA   ALA  25           HA       ALA  25  -8.170  -3.185  -1.621
  263   1HB   ALA  25          2HB       ALA  25  -9.949  -5.130  -0.338
  264   2HB   ALA  25          1HB       ALA  25 -10.459  -3.463  -0.072
  265   3HB   ALA  25          3HB       ALA  25 -10.260  -4.072  -1.715
  266    QB   ALA  25           QB       ALA  25 -10.223  -4.222  -0.708
  267    H    GLU  26           H        GLU  26  -8.340  -4.239   1.783
  268    HA   GLU  26           HA       GLU  26  -8.501  -1.564   2.891
  269   1HB   GLU  26          2HB       GLU  26  -9.211  -3.740   3.963
  270   2HB   GLU  26          1HB       GLU  26  -7.504  -4.146   4.145
  271   1HG   GLU  26          2HG       GLU  26  -7.895  -3.154   6.200
  272   2HG   GLU  26          1HG       GLU  26  -7.412  -1.736   5.269
  273    QB   GLU  26           QB       GLU  26  -8.358  -3.943   4.054
  274    QG   GLU  26           QG       GLU  26  -7.654  -2.445   5.734
  275    H    ALA  27           H        ALA  27  -5.852  -3.862   2.273
  276    HA   ALA  27           HA       ALA  27  -3.710  -2.441   3.501
  277   1HB   ALA  27          2HB       ALA  27  -4.087  -4.465   1.350
  278   2HB   ALA  27          1HB       ALA  27  -2.533  -3.625   1.365
  279   3HB   ALA  27          3HB       ALA  27  -3.065  -4.530   2.785
  280    QB   ALA  27           QB       ALA  27  -3.228  -4.207   1.834
  281    H    GLU  28           H        GLU  28  -4.968  -2.270   0.156
  282    HA   GLU  28           HA       GLU  28  -3.185  -0.283  -0.844
  283   1HB   GLU  28          2HB       GLU  28  -5.013  -1.793  -1.966
  284   2HB   GLU  28          1HB       GLU  28  -6.101  -0.455  -1.598
  285   1HG   GLU  28          2HG       GLU  28  -4.182   0.996  -2.700
  286   2HG   GLU  28          1HG       GLU  28  -3.761  -0.530  -3.479
  287    QB   GLU  28           QB       GLU  28  -5.557  -1.124  -1.782
  288    QG   GLU  28           QG       GLU  28  -3.972   0.233  -3.089
  289    H    LYS  29           H        LYS  29  -6.193  -0.033   1.028
  290    HA   LYS  29           HA       LYS  29  -6.415   2.862   0.871
  291   1HB   LYS  29          2HB       LYS  29  -7.514   0.700   2.687
  292   2HB   LYS  29          1HB       LYS  29  -7.951   2.399   2.868
  293   1HG   LYS  29          2HG       LYS  29  -8.351   2.072   0.193
  294   2HG   LYS  29          1HG       LYS  29  -8.751   0.457   0.778
  295   1HD   LYS  29          2HD       LYS  29 -10.773   1.800   0.796
  296   2HD   LYS  29          1HD       LYS  29 -10.279   1.513   2.466
  297   1HE   LYS  29          2HE       LYS  29  -9.837   3.725   2.839
  298   2HE   LYS  29          1HE       LYS  29  -9.118   3.946   1.231
  299   1HZ   LYS  29          3HZ       LYS  29 -12.020   3.608   1.778
  300   2HZ   LYS  29          2HZ       LYS  29 -11.262   5.085   1.422
  301   3HZ   LYS  29          1HZ       LYS  29 -11.315   3.852   0.255
  302    QB   LYS  29           QB       LYS  29  -7.732   1.549   2.777
  303    QG   LYS  29           QG       LYS  29  -8.551   1.265   0.485
  304    QD   LYS  29           QD       LYS  29 -10.526   1.656   1.631
  305    QE   LYS  29           QE       LYS  29  -9.477   3.835   2.035
  306    QZ   LYS  29           QZ       LYS  29 -11.532   4.182   1.151
  307    H    ILE  30           H        ILE  30  -5.285   0.617   3.425
  308    HA   ILE  30           HA       ILE  30  -4.348   2.561   5.292
  309    HB   ILE  30           HB       ILE  30  -3.322  -0.226   4.621
  310   1HG1  ILE  30          2HG1      ILE  30  -5.150   0.426   6.910
  311   2HG1  ILE  30          1HG1      ILE  30  -5.836   0.263   5.293
  312   1HG2  ILE  30          2HG2      ILE  30  -2.753   1.705   6.832
  313   2HG2  ILE  30          1HG2      ILE  30  -2.870  -0.006   7.245
  314   3HG2  ILE  30          3HG2      ILE  30  -1.681   0.537   6.061
  315   1HD1  ILE  30          1HD1      ILE  30  -3.920  -1.857   6.098
  316   2HD1  ILE  30          3HD1      ILE  30  -5.458  -1.842   6.962
  317   3HD1  ILE  30          2HD1      ILE  30  -5.436  -1.987   5.205
  318    QG1  ILE  30           QG1      ILE  30  -5.493   0.345   6.102
  319    QG2  ILE  30           QG2      ILE  30  -2.435   0.745   6.713
  320    QD1  ILE  30           QD1      ILE  30  -4.938  -1.896   6.088
  321    H    PHE  31           H        PHE  31  -2.876   1.085   2.447
  322    HA   PHE  31           HA       PHE  31  -0.251   2.311   2.801
  323   1HB   PHE  31          2HB       PHE  31  -1.752   0.774   0.689
  324   2HB   PHE  31          1HB       PHE  31  -0.237   1.567   0.263
  325    HD1  PHE  31          2HD       PHE  31   1.452   1.264   2.588
  326    HD2  PHE  31          1HD       PHE  31  -1.378  -1.506   0.925
  327    HE1  PHE  31          2HE       PHE  31   2.721  -0.622   3.579
  328    HE2  PHE  31          1HE       PHE  31  -0.108  -3.395   1.915
  329   1HZ   PHE  31           HZ       PHE  31   1.941  -2.952   3.241
  330    QB   PHE  31           QB       PHE  31  -0.995   1.170   0.476
  331    QG   PHE  31           QD       PHE  31   0.037  -0.121   1.757
  332    QZ   PHE  31           QE       PHE  31   1.306  -2.009   2.747
  333    QZ   PHE  31           QR       PHE  31   0.926  -1.442   2.450
  334    H    LYS  32           H        LYS  32  -3.232   3.037   1.022
  335    HA   LYS  32           HA       LYS  32  -2.134   5.347  -0.343
  336   1HB   LYS  32          2HB       LYS  32  -4.835   4.071  -0.034
  337   2HB   LYS  32          1HB       LYS  32  -4.659   5.626  -0.844
  338   1HG   LYS  32          2HG       LYS  32  -3.190   4.710  -2.497
  339   2HG   LYS  32          1HG       LYS  32  -3.023   3.200  -1.601
  340   1HD   LYS  32          2HD       LYS  32  -4.575   2.815  -3.418
  341   2HD   LYS  32          1HD       LYS  32  -5.491   2.823  -1.912
  342   1HE   LYS  32          2HE       LYS  32  -6.824   4.390  -2.885
  343   2HE   LYS  32          1HE       LYS  32  -5.462   5.516  -2.718
  344   1HZ   LYS  32          2HZ       LYS  32  -5.823   3.615  -4.976
  345   2HZ   LYS  32          1HZ       LYS  32  -6.201   5.270  -5.043
  346   3HZ   LYS  32          3HZ       LYS  32  -4.592   4.777  -4.821
  347    QB   LYS  32           QB       LYS  32  -4.747   4.848  -0.439
  348    QG   LYS  32           QG       LYS  32  -3.107   3.955  -2.049
  349    QD   LYS  32           QD       LYS  32  -5.033   2.819  -2.665
  350    QE   LYS  32           QE       LYS  32  -6.143   4.953  -2.801
  351    QZ   LYS  32           QZ       LYS  32  -5.538   4.554  -4.946
  352    H    GLN  33           H        GLN  33  -2.788   4.958   2.870
  353    HA   GLN  33           HA       GLN  33  -3.880   7.759   3.177
  354   1HB   GLN  33          2HB       GLN  33  -5.240   5.943   4.193
  355   2HB   GLN  33          1HB       GLN  33  -3.817   5.350   5.049
  356   1HG   GLN  33          2HG       GLN  33  -4.463   8.221   5.443
  357   2HG   GLN  33          1HG       GLN  33  -5.595   7.072   6.155
  358   1HE2  GLN  33          2HE2      GLN  33  -2.870   5.573   8.173
  359   2HE2  GLN  33          1HE2      GLN  33  -4.035   5.017   7.070
  360    QB   GLN  33           QB       GLN  33  -4.529   5.646   4.621
  361    QG   GLN  33           QG       GLN  33  -5.029   7.647   5.799
  362    QE2  GLN  33           QE2      GLN  33  -3.452   5.295   7.621
  363    H    TYR  34           H        TYR  34  -1.667   5.320   4.319
  364    HA   TYR  34           HA       TYR  34   0.095   6.762   5.993
  365   1HB   TYR  34          2HB       TYR  34   0.134   4.398   5.884
  366   2HB   TYR  34          1HB       TYR  34   0.103   4.398   4.116
  367    HD1  TYR  34          2HD       TYR  34   2.218   4.897   7.136
  368    HD2  TYR  34          1HD       TYR  34   2.182   4.581   2.852
  369    HE1  TYR  34          2HE       TYR  34   4.689   4.694   7.132
  370    HE2  TYR  34          1HE       TYR  34   4.655   4.380   2.848
  371    HH   TYR  34           HH       TYR  34   6.456   3.798   5.680
  372    QB   TYR  34           QB       TYR  34   0.118   4.398   5.000
  373    QG   TYR  34           QD       TYR  34   2.200   4.739   4.994
  374    QZ   TYR  34           QE       TYR  34   4.672   4.537   4.990
  375    QR   TYR  34           QR       TYR  34   3.436   4.638   4.992
  376    H    ALA  35           H        ALA  35   0.113   6.237   2.465
  377    HA   ALA  35           HA       ALA  35   2.537   7.571   1.766
  378   1HB   ALA  35          1HB       ALA  35  -0.081   6.915   0.436
  379   2HB   ALA  35          3HB       ALA  35   1.086   7.928  -0.416
  380   3HB   ALA  35          2HB       ALA  35   1.530   6.293   0.082
  381    QB   ALA  35           QB       ALA  35   0.845   7.045   0.034
  382    H    ASN  36           H        ASN  36  -0.814   8.830   1.928
  383    HA   ASN  36           HA       ASN  36  -0.314  11.503   1.125
  384   1HB   ASN  36          2HB       ASN  36  -2.323  10.064   2.807
  385   2HB   ASN  36          1HB       ASN  36  -2.359  11.825   2.778
  386   1HD2  ASN  36          2HD2      ASN  36  -2.881   9.970  -0.863
  387   2HD2  ASN  36          1HD2      ASN  36  -1.742   9.339   0.225
  388    QB   ASN  36           QB       ASN  36  -2.341  10.945   2.792
  389    QD2  ASN  36           QD2      ASN  36  -2.311   9.654  -0.319
  390    H    ASP  37           H        ASP  37  -0.390  10.162   4.445
  391    HA   ASP  37           HA       ASP  37   0.226  12.524   5.867
  392   1HB   ASP  37          2HB       ASP  37   0.629   9.582   6.276
  393   2HB   ASP  37          1HB       ASP  37   1.305  10.710   7.453
  394    QB   ASP  37           QB       ASP  37   0.967  10.146   6.865
  395    H    ASN  38           H        ASN  38   2.289  10.526   3.929
  396    HA   ASN  38           HA       ASN  38   4.723  11.822   4.963
  397   1HB   ASN  38          2HB       ASN  38   3.997   9.336   3.502
  398   2HB   ASN  38          1HB       ASN  38   5.598  10.007   3.186
  399   1HD2  ASN  38          2HD2      ASN  38   6.652   9.579   6.648
  400   2HD2  ASN  38          1HD2      ASN  38   6.765  10.710   5.387
  401    QB   ASN  38           QB       ASN  38   4.797   9.671   3.344
  402    QD2  ASN  38           QD2      ASN  38   6.708  10.144   6.018
  403    H    GLY  39           H        GLY  39   2.616  11.755   2.177
  404   1HA   GLY  39          2HA       GLY  39   2.622  13.640   0.610
  405   2HA   GLY  39          1HA       GLY  39   4.364  13.782   0.856
  406    QA   GLY  39           QA       GLY  39   3.493  13.711   0.733
  407    H    ILE  40           H        ILE  40   2.756  10.697   0.415
  408    HA   ILE  40           HA       ILE  40   4.362  10.236  -2.040
  409    HB   ILE  40           HB       ILE  40   3.059   8.658   0.139
  410   1HG1  ILE  40          2HG1      ILE  40   5.270   7.476   0.013
  411   2HG1  ILE  40          1HG1      ILE  40   5.731   8.617  -1.254
  412   1HG2  ILE  40          1HG2      ILE  40   2.236   7.611  -2.021
  413   2HG2  ILE  40          3HG2      ILE  40   3.927   7.297  -2.413
  414   3HG2  ILE  40          2HG2      ILE  40   3.195   6.559  -0.985
  415   1HD1  ILE  40          1HD1      ILE  40   4.716   9.487   1.452
  416   2HD1  ILE  40          3HD1      ILE  40   6.435   9.275   1.096
  417   3HD1  ILE  40          2HD1      ILE  40   5.494  10.482   0.214
  418    QG1  ILE  40           QG1      ILE  40   5.501   8.047  -0.620
  419    QG2  ILE  40           QG2      ILE  40   3.120   7.156  -1.806
  420    QD1  ILE  40           QD1      ILE  40   5.548   9.748   0.921
  421    H    ASP  41           H        ASP  41   3.268  11.020  -3.784
  422    HA   ASP  41           HA       ASP  41   0.516   9.975  -4.289
  423   1HB   ASP  41          2HB       ASP  41  -0.198  12.277  -4.920
  424   2HB   ASP  41          1HB       ASP  41   0.276  12.170  -3.227
  425    QB   ASP  41           QB       ASP  41   0.039  12.224  -4.074
  426    H    GLY  42           H        GLY  42   0.868   8.838  -6.152
  427   1HA   GLY  42          2HA       GLY  42   1.630  10.249  -8.579
  428   2HA   GLY  42          1HA       GLY  42   2.847   9.078  -8.075
  429    QA   GLY  42           QA       GLY  42   2.238   9.663  -8.327
  430    H    GLU  43           H        GLU  43   2.514   6.947  -8.608
  431    HA   GLU  43           HA       GLU  43  -0.125   6.255  -9.865
  432   1HB   GLU  43          2HB       GLU  43   2.391   6.146 -10.877
  433   2HB   GLU  43          1HB       GLU  43   2.270   4.524 -10.192
  434   1HG   GLU  43          2HG       GLU  43   0.470   3.935 -11.567
  435   2HG   GLU  43          1HG       GLU  43   0.020   5.615 -11.863
  436    QB   GLU  43           QB       GLU  43   2.330   5.335 -10.535
  437    QG   GLU  43           QG       GLU  43   0.245   4.775 -11.715
  438    H    TRP  44           H        TRP  44  -0.562   3.763  -9.651
  439    HA   TRP  44           HA       TRP  44   0.305   2.557  -7.063
  440   1HB   TRP  44          2HB       TRP  44  -2.409   3.694  -7.716
  441   2HB   TRP  44          1HB       TRP  44  -2.298   2.268  -6.679
  442    HD1  TRP  44           HD       TRP  44  -1.428   5.978  -6.770
  443    HE1  TRP  44          1HE       TRP  44  -0.793   6.721  -4.386
  444    HE3  TRP  44          3HE       TRP  44  -1.360   1.445  -4.465
  445    HZ2  TRP  44          2HZ       TRP  44  -0.312   5.533  -1.827
  446    HZ3  TRP  44          3HZ       TRP  44  -0.804   1.271  -2.048
  447    HH2  TRP  44           HH       TRP  44  -0.278   3.312  -0.735
  448    QB   TRP  44           QB       TRP  44  -2.353   2.981  -7.198
  449    H    THR  45           H        THR  45   0.474   0.383  -7.378
  450    HA   THR  45           HA       THR  45  -1.342  -0.954  -9.333
  451    HB   THR  45           HB       THR  45   0.453  -1.923 -10.549
  452    HG1  THR  45          1HG       THR  45   2.146  -2.485  -9.491
  453   1HG2  THR  45          2HG2      THR  45   0.149   0.482 -11.048
  454   2HG2  THR  45          1HG2      THR  45   1.386   0.867  -9.848
  455   3HG2  THR  45          3HG2      THR  45   1.816  -0.037 -11.303
  456    QG2  THR  45           QG2      THR  45   1.117   0.437 -10.733
  457    H    TYR  46           H        TYR  46  -2.034  -2.878  -8.531
  458    HA   TYR  46           HA       TYR  46  -0.829  -3.831  -5.977
  459   1HB   TYR  46          2HB       TYR  46  -3.195  -3.374  -5.921
  460   2HB   TYR  46          1HB       TYR  46  -3.468  -4.303  -7.398
  461    HD1  TYR  46          2HD       TYR  46  -1.658  -4.910  -4.162
  462    HD2  TYR  46          1HD       TYR  46  -4.541  -6.338  -7.005
  463    HE1  TYR  46          2HE       TYR  46  -1.956  -6.972  -2.822
  464    HE2  TYR  46          1HE       TYR  46  -4.832  -8.408  -5.668
  465    HH   TYR  46           HH       TYR  46  -3.076  -9.673  -3.834
  466    QB   TYR  46           QB       TYR  46  -3.332  -3.839  -6.659
  467    QG   TYR  46           QD       TYR  46  -3.100  -5.624  -5.583
  468    QZ   TYR  46           QE       TYR  46  -3.394  -7.690  -4.245
  469    QR   TYR  46           QR       TYR  46  -3.247  -6.657  -4.914
  470    H    ASP  47           H        ASP  47  -0.024  -5.939  -5.787
  471    HA   ASP  47           HA       ASP  47   0.255  -7.493  -8.338
  472   1HB   ASP  47          2HB       ASP  47   2.230  -6.377  -6.928
  473   2HB   ASP  47          1HB       ASP  47   2.055  -7.846  -5.969
  474    QB   ASP  47           QB       ASP  47   2.142  -7.111  -6.448
  475    H    ASP  48           H        ASP  48  -1.528  -8.878  -8.105
  476    HA   ASP  48           HA       ASP  48  -2.315 -10.122  -5.623
  477   1HB   ASP  48          2HB       ASP  48  -3.762 -11.457  -7.145
  478   2HB   ASP  48          1HB       ASP  48  -3.826  -9.734  -7.513
  479    QB   ASP  48           QB       ASP  48  -3.794 -10.595  -7.329
  480    H    ALA  49           H        ALA  49   0.385 -10.751  -7.554
  481    HA   ALA  49           HA       ALA  49   0.425 -13.671  -7.103
  482   1HB   ALA  49          2HB       ALA  49   1.797 -11.630  -8.748
  483   2HB   ALA  49          1HB       ALA  49   2.834 -12.945  -8.195
  484   3HB   ALA  49          3HB       ALA  49   1.391 -13.300  -9.143
  485    QB   ALA  49           QB       ALA  49   2.007 -12.625  -8.695
  486    H    THR  50           H        THR  50   1.796 -10.695  -5.825
  487    HA   THR  50           HA       THR  50   3.295 -12.312  -3.792
  488    HB   THR  50           HB       THR  50   4.980 -10.464  -3.896
  489    HG1  THR  50          1HG       THR  50   3.491  -8.889  -4.694
  490   1HG2  THR  50          3HG2      THR  50   4.872 -12.592  -5.446
  491   2HG2  THR  50          2HG2      THR  50   4.564 -11.404  -6.712
  492   3HG2  THR  50          1HG2      THR  50   6.053 -11.324  -5.771
  493    QG2  THR  50           QG2      THR  50   5.163 -11.773  -5.976
  494    H    LYS  51           H        LYS  51   0.635 -10.433  -4.179
  495    HA   LYS  51           HA       LYS  51  -0.633  -9.047  -2.754
  496   1HB   LYS  51          2HB       LYS  51   1.220 -10.376  -0.744
  497   2HB   LYS  51          1HB       LYS  51  -0.291  -9.559  -0.345
  498   1HG   LYS  51          2HG       LYS  51  -0.458 -11.641  -2.458
  499   2HG   LYS  51          1HG       LYS  51  -0.138 -12.220  -0.823
  500   1HD   LYS  51          2HD       LYS  51  -2.094 -10.731  -0.082
  501   2HD   LYS  51          1HD       LYS  51  -2.495 -10.600  -1.795
  502   1HE   LYS  51          2HE       LYS  51  -2.669 -13.058  -1.958
  503   2HE   LYS  51          1HE       LYS  51  -2.258 -13.201  -0.238
  504   1HZ   LYS  51          2HZ       LYS  51  -4.505 -11.556  -1.267
  505   2HZ   LYS  51          1HZ       LYS  51  -4.694 -13.144  -0.694
  506   3HZ   LYS  51          3HZ       LYS  51  -4.160 -11.922   0.356
  507    QB   LYS  51           QB       LYS  51   0.465  -9.968  -0.545
  508    QG   LYS  51           QG       LYS  51  -0.298 -11.931  -1.641
  509    QD   LYS  51           QD       LYS  51  -2.295 -10.665  -0.938
  510    QE   LYS  51           QE       LYS  51  -2.463 -13.130  -1.098
  511    QZ   LYS  51           QZ       LYS  51  -4.453 -12.207  -0.535
  512    H    THR  52           H        THR  52   1.618  -7.811  -4.026
  513    HA   THR  52           HA       THR  52   2.427  -5.828  -1.911
  514    HB   THR  52           HB       THR  52   3.980  -6.845  -4.315
  515    HG1  THR  52          1HG       THR  52   4.212  -8.412  -2.900
  516   1HG2  THR  52          1HG2      THR  52   4.444  -4.693  -2.294
  517   2HG2  THR  52          3HG2      THR  52   5.831  -5.647  -2.821
  518   3HG2  THR  52          2HG2      THR  52   4.884  -4.742  -4.001
  519    QG2  THR  52           QG2      THR  52   5.053  -5.027  -3.039
  520    H    PHE  53           H        PHE  53   2.028  -3.694  -2.420
  521    HA   PHE  53           HA       PHE  53   0.715  -3.103  -5.011
  522   1HB   PHE  53          2HB       PHE  53   1.051  -1.681  -2.367
  523   2HB   PHE  53          1HB       PHE  53   0.268  -0.917  -3.749
  524    HD1  PHE  53          2HD       PHE  53   0.091  -3.773  -1.376
  525    HD2  PHE  53          1HD       PHE  53  -1.976  -1.511  -4.397
  526    HE1  PHE  53          2HE       PHE  53  -2.033  -4.927  -0.793
  527    HE2  PHE  53          1HE       PHE  53  -4.086  -2.666  -3.809
  528   1HZ   PHE  53           HZ       PHE  53  -4.116  -4.373  -2.011
  529    QB   PHE  53           QB       PHE  53   0.659  -1.299  -3.058
  530    QG   PHE  53           QD       PHE  53  -0.942  -2.642  -2.886
  531    QZ   PHE  53           QE       PHE  53  -3.060  -3.797  -2.301
  532    QZ   PHE  53           QR       PHE  53  -2.424  -3.450  -2.477
  533    H    THR  54           H        THR  54   1.397  -0.438  -5.491
  534    HA   THR  54           HA       THR  54   4.317  -0.090  -5.290
  535    HB   THR  54           HB       THR  54   3.134  -0.129  -8.054
  536    HG1  THR  54          1HG       THR  54   4.135  -2.394  -6.670
  537   1HG2  THR  54          3HG2      THR  54   5.866  -0.690  -6.878
  538   2HG2  THR  54          2HG2      THR  54   5.478  -0.825  -8.593
  539   3HG2  THR  54          1HG2      THR  54   5.379   0.741  -7.787
  540    QG2  THR  54           QG2      THR  54   5.574  -0.258  -7.753
  541    H    VAL  55           H        VAL  55   3.761   1.871  -4.284
  542    HA   VAL  55           HA       VAL  55   2.012   3.734  -5.770
  543    HB   VAL  55           HB       VAL  55   1.456   3.460  -3.466
  544   1HG1  VAL  55          1HG1      VAL  55   4.386   4.011  -2.905
  545   2HG1  VAL  55          3HG1      VAL  55   3.132   4.040  -1.664
  546   3HG1  VAL  55          2HG1      VAL  55   3.465   2.545  -2.536
  547   1HG2  VAL  55          1HG2      VAL  55   1.362   5.784  -4.326
  548   2HG2  VAL  55          3HG2      VAL  55   1.685   5.735  -2.592
  549   3HG2  VAL  55          2HG2      VAL  55   2.997   6.056  -3.726
  550    QG1  VAL  55           QG1      VAL  55   3.661   3.532  -2.369
  551    QG2  VAL  55           QG2      VAL  55   2.015   5.858  -3.548
  552    QQG  VAL  55           QQG      VAL  55   2.838   4.695  -2.958
  553    H    THR  56           H        THR  56   3.042   4.830  -7.308
  554    HA   THR  56           HA       THR  56   5.838   5.731  -6.981
  555    HB   THR  56           HB       THR  56   3.753   5.488  -9.138
  556    HG1  THR  56          1HG       THR  56   5.030   3.871  -9.413
  557   1HG2  THR  56          1HG2      THR  56   6.221   7.238  -9.362
  558   2HG2  THR  56          3HG2      THR  56   5.255   6.692 -10.733
  559   3HG2  THR  56          2HG2      THR  56   4.541   7.757  -9.522
  560    QG2  THR  56           QG2      THR  56   5.339   7.229  -9.873
  561    H    GLU  57           H        GLU  57   6.214   8.138  -7.597
  562    HA   GLU  57           HA       GLU  57   4.042   9.851  -6.423
  563   1HB   GLU  57          2HB       GLU  57   6.021   9.475  -4.957
  564   2HB   GLU  57          1HB       GLU  57   7.061  10.127  -6.224
  565   1HG   GLU  57          2HG       GLU  57   6.011  12.291  -6.079
  566   2HG   GLU  57          1HG       GLU  57   4.757  11.668  -5.006
  567    QB   GLU  57           QB       GLU  57   6.541   9.801  -5.590
  568    QG   GLU  57           QG       GLU  57   5.384  11.980  -5.543
   
  No H/Q in entry =         568
  Start of MODEL    3
    1   1H    MET   1          2HT       MET   1  -3.953 -13.463   8.161
    2   2H    MET   1          1HT       MET   1  -3.067 -14.266   9.369
    3   3H    MET   1          3HT       MET   1  -2.706 -12.654   8.983
    4    HA   MET   1           HA       MET   1  -1.030 -13.952   7.951
    5   1HB   MET   1          2HB       MET   1  -1.719 -15.904   6.563
    6   2HB   MET   1          1HB       MET   1  -2.253 -16.065   8.236
    7   1HG   MET   1          2HG       MET   1  -4.497 -15.307   7.632
    8   2HG   MET   1          1HG       MET   1  -3.980 -15.021   5.970
    9   1HE   MET   1          2HE       MET   1  -3.408 -16.314   4.431
   10   2HE   MET   1          1HE       MET   1  -2.592 -17.849   4.718
   11   3HE   MET   1          3HE       MET   1  -4.245 -17.825   4.090
   12    QB   MET   1           QB       MET   1  -1.986 -15.985   7.400
   13    QG   MET   1           QG       MET   1  -4.238 -15.164   6.801
   14    QE   MET   1           QE       MET   1  -3.415 -17.329   4.413
   15    H    THR   2           H        THR   2  -2.414 -11.524   7.307
   16    HA   THR   2           HA       THR   2  -2.298 -11.613   4.310
   17    HB   THR   2           HB       THR   2  -4.208 -10.041   6.073
   18    HG1  THR   2          1HG       THR   2  -4.675 -12.253   6.055
   19   1HG2  THR   2          3HG2      THR   2  -3.649 -10.142   3.143
   20   2HG2  THR   2          2HG2      THR   2  -5.328  -9.977   3.653
   21   3HG2  THR   2          1HG2      THR   2  -4.135  -8.776   4.146
   22    QG2  THR   2           QG2      THR   2  -4.371  -9.632   3.647
   23    H    THR   3           H        THR   3  -0.051 -10.945   5.803
   24    HA   THR   3           HA       THR   3   0.153  -8.122   6.424
   25    HB   THR   3           HB       THR   3   2.438  -9.938   5.654
   26    HG1  THR   3          1HG       THR   3   2.286 -10.816   7.737
   27   1HG2  THR   3          2HG2      THR   3   2.604  -7.454   6.437
   28   2HG2  THR   3          1HG2      THR   3   2.244  -8.111   8.033
   29   3HG2  THR   3          3HG2      THR   3   3.681  -8.647   7.163
   30    QG2  THR   3           QG2      THR   3   2.843  -8.070   7.211
   31    H    PHE   4           H        PHE   4  -0.795  -7.226   4.407
   32    HA   PHE   4           HA       PHE   4   0.389  -7.598   1.809
   33   1HB   PHE   4          2HB       PHE   4  -1.469  -5.704   3.178
   34   2HB   PHE   4          1HB       PHE   4  -0.784  -5.188   1.637
   35    HD1  PHE   4          1HD       PHE   4  -0.818  -7.002  -0.276
   36    HD2  PHE   4          2HD       PHE   4  -3.391  -7.038   3.159
   37    HE1  PHE   4          1HE       PHE   4  -2.407  -8.468  -1.484
   38    HE2  PHE   4          2HE       PHE   4  -4.985  -8.502   1.948
   39   1HZ   PHE   4           HZ       PHE   4  -4.493  -9.218  -0.373
   40    QB   PHE   4           QB       PHE   4  -1.127  -5.446   2.407
   41    QG   PHE   4           QD       PHE   4  -2.104  -7.020   1.442
   42    QZ   PHE   4           QE       PHE   4  -3.696  -8.485   0.232
   43    QZ   PHE   4           QR       PHE   4  -3.219  -8.046   0.595
   44    H    LYS   5           H        LYS   5   1.995  -6.392   0.752
   45    HA   LYS   5           HA       LYS   5   3.653  -4.618   2.505
   46   1HB   LYS   5          2HB       LYS   5   4.271  -6.237   0.010
   47   2HB   LYS   5          1HB       LYS   5   5.445  -5.258   0.885
   48   1HG   LYS   5          2HG       LYS   5   5.860  -7.142   2.080
   49   2HG   LYS   5          1HG       LYS   5   4.348  -6.777   2.908
   50   1HD   LYS   5          2HD       LYS   5   3.767  -8.873   2.211
   51   2HD   LYS   5          1HD       LYS   5   3.394  -8.044   0.698
   52   1HE   LYS   5          2HE       LYS   5   4.836  -9.604  -0.187
   53   2HE   LYS   5          1HE       LYS   5   6.081  -8.480   0.393
   54   1HZ   LYS   5          2HZ       LYS   5   6.046  -9.625   2.537
   55   2HZ   LYS   5          1HZ       LYS   5   4.909 -10.736   1.936
   56   3HZ   LYS   5          3HZ       LYS   5   6.473 -10.688   1.282
   57    QB   LYS   5           QB       LYS   5   4.858  -5.748   0.447
   58    QG   LYS   5           QG       LYS   5   5.104  -6.959   2.494
   59    QD   LYS   5           QD       LYS   5   3.580  -8.458   1.454
   60    QE   LYS   5           QE       LYS   5   5.458  -9.042   0.103
   61    QZ   LYS   5           QZ       LYS   5   5.809 -10.349   1.918
   62    H    LEU   6           H        LEU   6   4.987  -3.008   0.936
   63    HA   LEU   6           HA       LEU   6   3.372  -1.979  -1.312
   64   1HB   LEU   6          2HB       LEU   6   2.270  -1.104   0.723
   65   2HB   LEU   6          1HB       LEU   6   3.806  -0.429   1.266
   66    HG   LEU   6           HG       LEU   6   3.746   0.736  -1.128
   67   1HD1  LEU   6          2HD1      LEU   6   1.012  -0.311  -0.706
   68   2HD1  LEU   6          1HD1      LEU   6   1.095   1.390  -1.167
   69   3HD1  LEU   6          3HD1      LEU   6   1.822   0.161  -2.200
   70   1HD2  LEU   6          1HD2      LEU   6   3.519   1.635   1.366
   71   2HD2  LEU   6          3HD2      LEU   6   3.166   2.683  -0.009
   72   3HD2  LEU   6          2HD2      LEU   6   1.850   1.911   0.869
   73    QB   LEU   6           QB       LEU   6   3.038  -0.766   0.994
   74    QD1  LEU   6           QD1      LEU   6   1.310   0.413  -1.358
   75    QD2  LEU   6           QD2      LEU   6   2.845   2.077   0.742
   76    QQD  LEU   6           QQD      LEU   6   2.077   1.245  -0.308
   77    H    ILE   7           H        ILE   7   5.020  -1.715  -2.772
   78    HA   ILE   7           HA       ILE   7   7.696  -0.810  -1.883
   79    HB   ILE   7           HB       ILE   7   6.528  -1.591  -4.582
   80   1HG1  ILE   7          2HG1      ILE   7   8.487  -3.206  -2.966
   81   2HG1  ILE   7          1HG1      ILE   7   6.763  -3.303  -2.605
   82   1HG2  ILE   7          1HG2      ILE   7   9.352  -0.979  -3.676
   83   2HG2  ILE   7          3HG2      ILE   7   8.996  -1.873  -5.155
   84   3HG2  ILE   7          2HG2      ILE   7   8.445  -0.206  -4.977
   85   1HD1  ILE   7          1HD1      ILE   7   6.403  -3.751  -5.093
   86   2HD1  ILE   7          3HD1      ILE   7   8.150  -3.971  -5.208
   87   3HD1  ILE   7          2HD1      ILE   7   7.192  -5.042  -4.186
   88    QG1  ILE   7           QG1      ILE   7   7.625  -3.255  -2.786
   89    QG2  ILE   7           QG2      ILE   7   8.931  -1.019  -4.603
   90    QD1  ILE   7           QD1      ILE   7   7.248  -4.255  -4.829
   91    H    ILE   8           H        ILE   8   8.113   1.375  -1.840
   92    HA   ILE   8           HA       ILE   8   6.218   3.201  -3.169
   93    HB   ILE   8           HB       ILE   8   8.714   3.996  -1.681
   94   1HG1  ILE   8          2HG1      ILE   8   7.222   2.283  -0.359
   95   2HG1  ILE   8          1HG1      ILE   8   7.716   3.762   0.438
   96   1HG2  ILE   8          1HG2      ILE   8   6.094   5.226  -2.460
   97   2HG2  ILE   8          3HG2      ILE   8   6.945   5.844  -1.040
   98   3HG2  ILE   8          2HG2      ILE   8   7.734   5.876  -2.614
   99   1HD1  ILE   8          3HD1      ILE   8   5.185   4.043  -1.013
  100   2HD1  ILE   8          2HD1      ILE   8   5.124   2.821   0.252
  101   3HD1  ILE   8          1HD1      ILE   8   5.580   4.480   0.648
  102    QG1  ILE   8           QG1      ILE   8   7.469   3.022   0.040
  103    QG2  ILE   8           QG2      ILE   8   6.924   5.649  -2.038
  104    QD1  ILE   8           QD1      ILE   8   5.296   3.781  -0.038
  105    H    ASN   9           H        ASN   9   6.601   3.774  -5.272
  106    HA   ASN   9           HA       ASN   9   9.411   3.714  -6.293
  107   1HB   ASN   9          2HB       ASN   9   7.653   2.322  -7.379
  108   2HB   ASN   9          1HB       ASN   9   6.734   3.789  -7.727
  109   1HD2  ASN   9          2HD2      ASN   9   8.652   4.600 -10.568
  110   2HD2  ASN   9          1HD2      ASN   9   7.299   4.948  -9.605
  111    QB   ASN   9           QB       ASN   9   7.193   3.056  -7.553
  112    QD2  ASN   9           QD2      ASN   9   7.976   4.774 -10.086
  113    H    GLY  10           H        GLY  10   9.443   5.894  -4.940
  114   1HA   GLY  10          2HA       GLY  10   9.297   8.081  -6.866
  115   2HA   GLY  10          1HA       GLY  10   8.123   8.238  -5.558
  116    QA   GLY  10           QA       GLY  10   8.710   8.159  -6.212
  117    H    LYS  11           H        LYS  11  10.126  10.148  -5.820
  118    HA   LYS  11           HA       LYS  11  12.533   9.682  -4.367
  119   1HB   LYS  11          2HB       LYS  11  12.530  12.160  -4.157
  120   2HB   LYS  11          1HB       LYS  11  12.085  11.646  -5.783
  121   1HG   LYS  11          2HG       LYS  11   9.745  12.037  -5.349
  122   2HG   LYS  11          1HG       LYS  11  10.054  12.304  -3.634
  123   1HD   LYS  11          2HD       LYS  11  11.211  14.349  -4.059
  124   2HD   LYS  11          1HD       LYS  11  11.301  14.017  -5.789
  125   1HE   LYS  11          2HE       LYS  11   8.607  14.206  -4.450
  126   2HE   LYS  11          1HE       LYS  11   9.464  15.681  -4.945
  127   1HZ   LYS  11          3HZ       LYS  11   8.948  13.333  -6.693
  128   2HZ   LYS  11          2HZ       LYS  11   8.083  14.794  -6.746
  129   3HZ   LYS  11          1HZ       LYS  11   9.733  14.765  -7.151
  130    QB   LYS  11           QB       LYS  11  12.308  11.903  -4.970
  131    QG   LYS  11           QG       LYS  11   9.900  12.170  -4.491
  132    QD   LYS  11           QD       LYS  11  11.256  14.183  -4.924
  133    QE   LYS  11           QE       LYS  11   9.036  14.944  -4.697
  134    QZ   LYS  11           QZ       LYS  11   8.921  14.297  -6.864
  135    H    THR  12           H        THR  12   9.249  10.300  -3.267
  136    HA   THR  12           HA       THR  12  10.115  10.667  -0.453
  137    HB   THR  12           HB       THR  12   7.577  10.910  -0.203
  138    HG1  THR  12          1HG       THR  12   6.377  10.847  -1.994
  139   1HG2  THR  12          2HG2      THR  12   9.445  12.714  -0.886
  140   2HG2  THR  12          1HG2      THR  12   8.439  12.800  -2.332
  141   3HG2  THR  12          3HG2      THR  12   7.738  13.133  -0.749
  142    QG2  THR  12           QG2      THR  12   8.541  12.883  -1.322
  143    H    LEU  13           H        LEU  13  10.163   8.966   0.958
  144    HA   LEU  13           HA       LEU  13   9.878   6.815   1.864
  145   1HB   LEU  13          2HB       LEU  13   7.350   7.447   0.429
  146   2HB   LEU  13          1HB       LEU  13   7.614   5.748   0.804
  147    HG   LEU  13           HG       LEU  13   7.751   8.012   2.814
  148   1HD1  LEU  13          3HD1      LEU  13   5.604   6.083   1.967
  149   2HD1  LEU  13          2HD1      LEU  13   5.675   6.619   3.649
  150   3HD1  LEU  13          1HD1      LEU  13   5.470   7.801   2.354
  151   1HD2  LEU  13          1HD2      LEU  13   8.123   5.018   2.967
  152   2HD2  LEU  13          3HD2      LEU  13   9.150   6.287   3.632
  153   3HD2  LEU  13          2HD2      LEU  13   7.592   5.936   4.375
  154    QB   LEU  13           QB       LEU  13   7.482   6.597   0.617
  155    QD1  LEU  13           QD1      LEU  13   5.583   6.834   2.657
  156    QD2  LEU  13           QD2      LEU  13   8.289   5.747   3.658
  157    QQD  LEU  13           QQD      LEU  13   6.936   6.291   3.157
  158    H    LYS  14           H        LYS  14  11.004   5.008   1.292
  159    HA   LYS  14           HA       LYS  14  10.687   3.847  -1.389
  160   1HB   LYS  14          2HB       LYS  14  13.316   4.777  -0.202
  161   2HB   LYS  14          1HB       LYS  14  13.147   3.902  -1.724
  162   1HG   LYS  14          2HG       LYS  14  11.605   5.780  -2.487
  163   2HG   LYS  14          1HG       LYS  14  12.137   6.674  -1.063
  164   1HD   LYS  14          2HD       LYS  14  14.042   5.525  -3.120
  165   2HD   LYS  14          1HD       LYS  14  13.451   7.186  -3.163
  166   1HE   LYS  14          2HE       LYS  14  14.446   7.656  -0.988
  167   2HE   LYS  14          1HE       LYS  14  14.927   5.957  -0.808
  168   1HZ   LYS  14          3HZ       LYS  14  16.141   6.197  -2.950
  169   2HZ   LYS  14          2HZ       LYS  14  15.832   7.866  -2.895
  170   3HZ   LYS  14          1HZ       LYS  14  16.786   7.136  -1.694
  171    QB   LYS  14           QB       LYS  14  13.232   4.339  -0.963
  172    QG   LYS  14           QG       LYS  14  11.871   6.227  -1.775
  173    QD   LYS  14           QD       LYS  14  13.746   6.355  -3.141
  174    QE   LYS  14           QE       LYS  14  14.687   6.807  -0.898
  175    QZ   LYS  14           QZ       LYS  14  16.253   7.066  -2.513
  176    H    GLY  15           H        GLY  15   9.815   1.962  -0.347
  177   1HA   GLY  15          2HA       GLY  15  11.659  -0.044   0.428
  178   2HA   GLY  15          1HA       GLY  15  11.041   0.685   1.909
  179    QA   GLY  15           QA       GLY  15  11.350   0.321   1.168
  180    H    GLU  16           H        GLU  16  10.310  -1.697   2.030
  181    HA   GLU  16           HA       GLU  16   7.598  -2.004   0.762
  182   1HB   GLU  16          2HB       GLU  16   9.639  -3.516   0.157
  183   2HB   GLU  16          1HB       GLU  16   9.385  -4.229   1.750
  184   1HG   GLU  16          2HG       GLU  16   7.416  -5.226   1.143
  185   2HG   GLU  16          1HG       GLU  16   6.971  -3.919   0.045
  186    QB   GLU  16           QB       GLU  16   9.512  -3.872   0.954
  187    QG   GLU  16           QG       GLU  16   7.193  -4.572   0.594
  188    H    ILE  17           H        ILE  17   6.414  -1.125   2.533
  189    HA   ILE  17           HA       ILE  17   6.920  -2.087   5.275
  190    HB   ILE  17           HB       ILE  17   4.819  -0.266   4.047
  191   1HG1  ILE  17          2HG1      ILE  17   6.427   1.337   5.519
  192   2HG1  ILE  17          1HG1      ILE  17   7.599   0.106   5.045
  193   1HG2  ILE  17          3HG2      ILE  17   5.447  -1.084   6.875
  194   2HG2  ILE  17          2HG2      ILE  17   4.798   0.524   6.550
  195   3HG2  ILE  17          1HG2      ILE  17   3.875  -0.908   6.094
  196   1HD1  ILE  17          1HD1      ILE  17   5.764   1.232   2.958
  197   2HD1  ILE  17          3HD1      ILE  17   7.151   2.189   3.480
  198   3HD1  ILE  17          2HD1      ILE  17   7.398   0.589   2.781
  199    QG1  ILE  17           QG1      ILE  17   7.013   0.722   5.282
  200    QG2  ILE  17           QG2      ILE  17   4.707  -0.489   6.506
  201    QD1  ILE  17           QD1      ILE  17   6.771   1.337   3.073
  202    H    THR  18           H        THR  18   6.122  -4.060   5.838
  203    HA   THR  18           HA       THR  18   3.811  -5.233   4.414
  204    HB   THR  18           HB       THR  18   4.464  -7.220   5.750
  205    HG1  THR  18          1HG       THR  18   5.448  -6.864   7.546
  206   1HG2  THR  18          1HG2      THR  18   6.156  -5.800   3.891
  207   2HG2  THR  18          3HG2      THR  18   7.151  -6.671   5.058
  208   3HG2  THR  18          2HG2      THR  18   5.956  -7.539   4.098
  209    QG2  THR  18           QG2      THR  18   6.421  -6.670   4.349
  210    H    ILE  19           H        ILE  19   1.755  -5.084   5.215
  211    HA   ILE  19           HA       ILE  19   1.368  -4.760   8.161
  212    HB   ILE  19           HB       ILE  19  -0.263  -2.945   7.694
  213   1HG1  ILE  19          2HG1      ILE  19   0.263  -2.001   5.196
  214   2HG1  ILE  19          1HG1      ILE  19   0.371  -3.735   4.900
  215   1HG2  ILE  19          1HG2      ILE  19   2.321  -2.650   8.000
  216   2HG2  ILE  19          3HG2      ILE  19   2.291  -2.191   6.297
  217   3HG2  ILE  19          2HG2      ILE  19   1.355  -1.271   7.474
  218   1HD1  ILE  19          3HD1      ILE  19  -1.866  -3.860   6.237
  219   2HD1  ILE  19          2HD1      ILE  19  -1.977  -2.133   5.893
  220   3HD1  ILE  19          1HD1      ILE  19  -1.912  -3.294   4.566
  221    QG1  ILE  19           QG1      ILE  19   0.317  -2.868   5.048
  222    QG2  ILE  19           QG2      ILE  19   1.989  -2.037   7.257
  223    QD1  ILE  19           QD1      ILE  19  -1.918  -3.095   5.565
  224    H    GLU  20           H        GLU  20  -0.315  -5.982   8.922
  225    HA   GLU  20           HA       GLU  20  -1.677  -7.846   7.153
  226   1HB   GLU  20          2HB       GLU  20  -0.920  -7.971   9.672
  227   2HB   GLU  20          1HB       GLU  20  -2.491  -7.235   9.984
  228   1HG   GLU  20          2HG       GLU  20  -3.668  -9.077   9.164
  229   2HG   GLU  20          1HG       GLU  20  -2.315  -9.626   8.175
  230    QB   GLU  20           QB       GLU  20  -1.706  -7.603   9.828
  231    QG   GLU  20           QG       GLU  20  -2.991  -9.352   8.670
  232    H    ALA  21           H        ALA  21  -3.968  -7.922   6.748
  233    HA   ALA  21           HA       ALA  21  -5.751  -5.775   7.599
  234   1HB   ALA  21          1HB       ALA  21  -4.279  -5.730   4.995
  235   2HB   ALA  21          3HB       ALA  21  -5.952  -5.172   5.000
  236   3HB   ALA  21          2HB       ALA  21  -4.758  -4.385   6.032
  237    QB   ALA  21           QB       ALA  21  -4.996  -5.096   5.342
  238    H    VAL  22           H        VAL  22  -7.935  -6.093   6.696
  239    HA   VAL  22           HA       VAL  22  -8.851  -8.740   6.589
  240    HB   VAL  22           HB       VAL  22 -10.232  -6.742   6.995
  241   1HG1  VAL  22          3HG1      VAL  22  -8.981  -5.443   5.127
  242   2HG1  VAL  22          2HG1      VAL  22 -10.159  -6.168   4.034
  243   3HG1  VAL  22          1HG1      VAL  22 -10.700  -5.121   5.346
  244   1HG2  VAL  22          1HG2      VAL  22 -11.055  -8.982   5.749
  245   2HG2  VAL  22          3HG2      VAL  22 -12.151  -7.645   6.100
  246   3HG2  VAL  22          2HG2      VAL  22 -11.447  -7.810   4.491
  247    QG1  VAL  22           QG1      VAL  22  -9.947  -5.577   4.836
  248    QG2  VAL  22           QG2      VAL  22 -11.551  -8.146   5.447
  249    QQG  VAL  22           QQG      VAL  22 -10.749  -6.862   5.141
  250    H    ASP  23           H        ASP  23  -7.896  -6.609   3.909
  251    HA   ASP  23           HA       ASP  23  -7.347  -8.911   2.172
  252   1HB   ASP  23          2HB       ASP  23  -9.846  -7.333   2.093
  253   2HB   ASP  23          1HB       ASP  23  -9.054  -7.512   0.527
  254    QB   ASP  23           QB       ASP  23  -9.450  -7.422   1.310
  255    H    ALA  24           H        ALA  24  -6.755  -7.933  -0.132
  256    HA   ALA  24           HA       ALA  24  -4.638  -6.040   0.221
  257   1HB   ALA  24          3HB       ALA  24  -5.485  -7.807  -1.705
  258   2HB   ALA  24          2HB       ALA  24  -5.852  -6.258  -2.466
  259   3HB   ALA  24          1HB       ALA  24  -4.205  -6.616  -1.942
  260    QB   ALA  24           QB       ALA  24  -5.180  -6.894  -2.037
  261    H    ALA  25           H        ALA  25  -8.026  -5.673  -0.720
  262    HA   ALA  25           HA       ALA  25  -8.027  -3.038  -1.723
  263   1HB   ALA  25          3HB       ALA  25  -9.867  -4.911  -1.405
  264   2HB   ALA  25          2HB       ALA  25 -10.196  -4.042   0.094
  265   3HB   ALA  25          1HB       ALA  25 -10.342  -3.213  -1.456
  266    QB   ALA  25           QB       ALA  25 -10.135  -4.055  -0.922
  267    H    GLU  26           H        GLU  26  -8.281  -4.192   1.638
  268    HA   GLU  26           HA       GLU  26  -8.496  -1.557   2.831
  269   1HB   GLU  26          2HB       GLU  26  -8.764  -4.220   3.592
  270   2HB   GLU  26          1HB       GLU  26  -7.312  -3.711   4.452
  271   1HG   GLU  26          2HG       GLU  26  -9.213  -3.241   5.871
  272   2HG   GLU  26          1HG       GLU  26  -8.592  -1.703   5.274
  273    QB   GLU  26           QB       GLU  26  -8.038  -3.965   4.022
  274    QG   GLU  26           QG       GLU  26  -8.902  -2.472   5.572
  275    H    ALA  27           H        ALA  27  -5.802  -3.850   2.329
  276    HA   ALA  27           HA       ALA  27  -3.702  -2.421   3.586
  277   1HB   ALA  27          2HB       ALA  27  -4.034  -4.436   1.434
  278   2HB   ALA  27          1HB       ALA  27  -2.504  -3.553   1.405
  279   3HB   ALA  27          3HB       ALA  27  -2.974  -4.463   2.843
  280    QB   ALA  27           QB       ALA  27  -3.171  -4.151   1.894
  281    H    GLU  28           H        GLU  28  -4.894  -2.192   0.223
  282    HA   GLU  28           HA       GLU  28  -3.102  -0.193  -0.721
  283   1HB   GLU  28          2HB       GLU  28  -4.958  -1.683  -1.861
  284   2HB   GLU  28          1HB       GLU  28  -6.002  -0.301  -1.525
  285   1HG   GLU  28          2HG       GLU  28  -3.847   0.978  -2.578
  286   2HG   GLU  28          1HG       GLU  28  -3.760  -0.549  -3.459
  287    QB   GLU  28           QB       GLU  28  -5.480  -0.992  -1.693
  288    QG   GLU  28           QG       GLU  28  -3.804   0.215  -3.019
  289    H    LYS  29           H        LYS  29  -6.167   0.068   1.081
  290    HA   LYS  29           HA       LYS  29  -6.360   2.959   0.965
  291   1HB   LYS  29          2HB       LYS  29  -7.435   0.845   2.865
  292   2HB   LYS  29          1HB       LYS  29  -7.933   2.536   2.902
  293   1HG   LYS  29          2HG       LYS  29  -8.062   1.327   0.218
  294   2HG   LYS  29          1HG       LYS  29  -9.137   0.568   1.390
  295   1HD   LYS  29          2HD       LYS  29 -10.433   2.327   0.490
  296   2HD   LYS  29          1HD       LYS  29  -9.842   2.974   2.020
  297   1HE   LYS  29          2HE       LYS  29  -7.944   3.471  -0.151
  298   2HE   LYS  29          1HE       LYS  29  -9.535   4.181  -0.482
  299   1HZ   LYS  29          3HZ       LYS  29  -9.519   5.035   1.832
  300   2HZ   LYS  29          2HZ       LYS  29  -7.909   4.512   1.982
  301   3HZ   LYS  29          1HZ       LYS  29  -8.313   5.718   0.855
  302    QB   LYS  29           QB       LYS  29  -7.684   1.691   2.884
  303    QG   LYS  29           QG       LYS  29  -8.600   0.947   0.804
  304    QD   LYS  29           QD       LYS  29 -10.138   2.650   1.255
  305    QE   LYS  29           QE       LYS  29  -8.739   3.826  -0.316
  306    QZ   LYS  29           QZ       LYS  29  -8.581   5.089   1.556
  307    H    ILE  30           H        ILE  30  -5.228   0.702   3.504
  308    HA   ILE  30           HA       ILE  30  -4.287   2.628   5.383
  309    HB   ILE  30           HB       ILE  30  -3.294  -0.167   4.689
  310   1HG1  ILE  30          2HG1      ILE  30  -5.254   0.747   6.821
  311   2HG1  ILE  30          1HG1      ILE  30  -5.731   0.043   5.278
  312   1HG2  ILE  30          3HG2      ILE  30  -2.007   1.621   6.320
  313   2HG2  ILE  30          2HG2      ILE  30  -3.091   0.841   7.469
  314   3HG2  ILE  30          1HG2      ILE  30  -1.949  -0.128   6.536
  315   1HD1  ILE  30          1HD1      ILE  30  -3.921  -1.808   6.118
  316   2HD1  ILE  30          3HD1      ILE  30  -4.565  -1.262   7.666
  317   3HD1  ILE  30          2HD1      ILE  30  -5.651  -1.918   6.441
  318    QG1  ILE  30           QG1      ILE  30  -5.492   0.395   6.049
  319    QG2  ILE  30           QG2      ILE  30  -2.349   0.778   6.775
  320    QD1  ILE  30           QD1      ILE  30  -4.712  -1.663   6.742
  321    H    PHE  31           H        PHE  31  -2.732   1.090   2.594
  322    HA   PHE  31           HA       PHE  31  -0.147   2.374   2.933
  323   1HB   PHE  31          2HB       PHE  31  -1.628   0.874   0.770
  324   2HB   PHE  31          1HB       PHE  31  -0.079   1.637   0.413
  325    HD1  PHE  31          1HD       PHE  31   1.546   1.259   2.746
  326    HD2  PHE  31          2HD       PHE  31  -1.345  -1.418   1.034
  327    HE1  PHE  31          1HE       PHE  31   2.729  -0.670   3.764
  328    HE2  PHE  31          2HE       PHE  31  -0.162  -3.344   2.052
  329   1HZ   PHE  31           HZ       PHE  31   1.874  -2.972   3.416
  330    QB   PHE  31           QB       PHE  31  -0.853   1.255   0.592
  331    QG   PHE  31           QD       PHE  31   0.101  -0.080   1.890
  332    QZ   PHE  31           QE       PHE  31   1.283  -2.007   2.908
  333    QZ   PHE  31           QR       PHE  31   0.928  -1.429   2.602
  334    H    LYS  32           H        LYS  32  -3.141   3.106   1.194
  335    HA   LYS  32           HA       LYS  32  -2.090   5.386  -0.237
  336   1HB   LYS  32          2HB       LYS  32  -4.766   4.131   0.245
  337   2HB   LYS  32          1HB       LYS  32  -4.667   5.716  -0.521
  338   1HG   LYS  32          2HG       LYS  32  -3.329   4.876  -2.315
  339   2HG   LYS  32          1HG       LYS  32  -3.064   3.342  -1.485
  340   1HD   LYS  32          2HD       LYS  32  -5.072   2.495  -2.142
  341   2HD   LYS  32          1HD       LYS  32  -5.908   4.029  -1.899
  342   1HE   LYS  32          2HE       LYS  32  -3.974   3.983  -4.155
  343   2HE   LYS  32          1HE       LYS  32  -5.438   3.002  -4.367
  344   1HZ   LYS  32          3HZ       LYS  32  -5.471   5.796  -3.369
  345   2HZ   LYS  32          2HZ       LYS  32  -5.694   5.391  -5.004
  346   3HZ   LYS  32          1HZ       LYS  32  -6.801   4.852  -3.833
  347    QB   LYS  32           QB       LYS  32  -4.717   4.923  -0.138
  348    QG   LYS  32           QG       LYS  32  -3.196   4.109  -1.900
  349    QD   LYS  32           QD       LYS  32  -5.490   3.262  -2.021
  350    QE   LYS  32           QE       LYS  32  -4.706   3.492  -4.261
  351    QZ   LYS  32           QZ       LYS  32  -5.989   5.346  -4.069
  352    H    GLN  33           H        GLN  33  -2.690   5.019   3.028
  353    HA   GLN  33           HA       GLN  33  -3.605   7.880   3.352
  354   1HB   GLN  33          2HB       GLN  33  -4.944   6.020   4.423
  355   2HB   GLN  33          1HB       GLN  33  -3.502   5.561   5.330
  356   1HG   GLN  33          2HG       GLN  33  -3.497   8.086   6.058
  357   2HG   GLN  33          1HG       GLN  33  -5.198   8.026   5.597
  358   1HE2  GLN  33          2HE2      GLN  33  -3.934   6.003   8.921
  359   2HE2  GLN  33          1HE2      GLN  33  -2.797   6.646   7.836
  360    QB   GLN  33           QB       GLN  33  -4.223   5.790   4.876
  361    QG   GLN  33           QG       GLN  33  -4.347   8.056   5.827
  362    QE2  GLN  33           QE2      GLN  33  -3.366   6.325   8.379
  363    H    TYR  34           H        TYR  34  -1.457   5.355   4.414
  364    HA   TYR  34           HA       TYR  34   0.447   6.694   6.005
  365   1HB   TYR  34          2HB       TYR  34   0.407   4.340   5.881
  366   2HB   TYR  34          1HB       TYR  34   0.231   4.347   4.122
  367    HD1  TYR  34          2HD       TYR  34   2.239   4.720   2.688
  368    HD2  TYR  34          1HD       TYR  34   2.568   4.442   6.961
  369    HE1  TYR  34          2HE       TYR  34   4.687   4.385   2.477
  370    HE2  TYR  34          1HE       TYR  34   5.015   4.106   6.751
  371    HH   TYR  34           HH       TYR  34   6.797   4.362   5.278
  372    QB   TYR  34           QB       TYR  34   0.319   4.344   5.002
  373    QG   TYR  34           QD       TYR  34   2.404   4.581   4.825
  374    QZ   TYR  34           QE       TYR  34   4.851   4.245   4.614
  375    QR   TYR  34           QR       TYR  34   3.627   4.413   4.719
  376    H    ALA  35           H        ALA  35   0.105   6.423   2.484
  377    HA   ALA  35           HA       ALA  35   2.625   7.662   1.731
  378   1HB   ALA  35          3HB       ALA  35   0.005   6.932   0.450
  379   2HB   ALA  35          2HB       ALA  35   1.133   7.963  -0.433
  380   3HB   ALA  35          1HB       ALA  35   1.627   6.347   0.077
  381    QB   ALA  35           QB       ALA  35   0.922   7.080   0.031
  382    H    ASN  36           H        ASN  36  -0.741   8.861   1.955
  383    HA   ASN  36           HA       ASN  36  -0.320  11.516   1.058
  384   1HB   ASN  36          2HB       ASN  36  -2.257  10.090   2.830
  385   2HB   ASN  36          1HB       ASN  36  -2.330  11.849   2.749
  386   1HD2  ASN  36          2HD2      ASN  36  -2.927   9.842  -0.799
  387   2HD2  ASN  36          1HD2      ASN  36  -1.779   9.244   0.297
  388    QB   ASN  36           QB       ASN  36  -2.293  10.969   2.790
  389    QD2  ASN  36           QD2      ASN  36  -2.353   9.543  -0.251
  390    H    ASP  37           H        ASP  37  -0.296  10.296   4.429
  391    HA   ASP  37           HA       ASP  37   0.317  12.732   5.731
  392   1HB   ASP  37          2HB       ASP  37  -0.290  10.332   6.578
  393   2HB   ASP  37          1HB       ASP  37   1.457  10.089   6.597
  394    QB   ASP  37           QB       ASP  37   0.583  10.210   6.588
  395    H    ASN  38           H        ASN  38   2.360  10.703   3.811
  396    HA   ASN  38           HA       ASN  38   4.803  12.039   4.770
  397   1HB   ASN  38          2HB       ASN  38   4.087   9.528   3.333
  398   2HB   ASN  38          1HB       ASN  38   5.693  10.202   3.054
  399   1HD2  ASN  38          2HD2      ASN  38   6.770   9.652   6.448
  400   2HD2  ASN  38          1HD2      ASN  38   6.990  10.687   5.121
  401    QB   ASN  38           QB       ASN  38   4.890   9.865   3.194
  402    QD2  ASN  38           QD2      ASN  38   6.880  10.170   5.785
  403    H    GLY  39           H        GLY  39   2.640  11.898   2.030
  404   1HA   GLY  39          2HA       GLY  39   2.600  13.741   0.417
  405   2HA   GLY  39          1HA       GLY  39   4.344  13.909   0.630
  406    QA   GLY  39           QA       GLY  39   3.472  13.825   0.524
  407    H    ILE  40           H        ILE  40   2.761  10.794   0.287
  408    HA   ILE  40           HA       ILE  40   4.341  10.296  -2.180
  409    HB   ILE  40           HB       ILE  40   3.079   8.752   0.050
  410   1HG1  ILE  40          2HG1      ILE  40   5.311   7.601  -0.078
  411   2HG1  ILE  40          1HG1      ILE  40   5.740   8.727  -1.369
  412   1HG2  ILE  40          3HG2      ILE  40   2.246   7.642  -2.066
  413   2HG2  ILE  40          2HG2      ILE  40   3.934   7.361  -2.493
  414   3HG2  ILE  40          1HG2      ILE  40   3.255   6.630  -1.036
  415   1HD1  ILE  40          2HD1      ILE  40   4.721   9.642   1.317
  416   2HD1  ILE  40          1HD1      ILE  40   6.441   9.426   0.981
  417   3HD1  ILE  40          3HD1      ILE  40   5.505  10.611   0.064
  418    QG1  ILE  40           QG1      ILE  40   5.525   8.164  -0.723
  419    QG2  ILE  40           QG2      ILE  40   3.145   7.211  -1.865
  420    QD1  ILE  40           QD1      ILE  40   5.556   9.893   0.787
  421    H    ASP  41           H        ASP  41   3.216  11.056  -3.916
  422    HA   ASP  41           HA       ASP  41   0.470   9.969  -4.381
  423   1HB   ASP  41          2HB       ASP  41   1.364  12.856  -4.355
  424   2HB   ASP  41          1HB       ASP  41  -0.118  12.342  -5.163
  425    QB   ASP  41           QB       ASP  41   0.623  12.599  -4.759
  426    H    GLY  42           H        GLY  42   0.758   8.841  -6.252
  427   1HA   GLY  42          2HA       GLY  42   1.535  10.220  -8.691
  428   2HA   GLY  42          1HA       GLY  42   2.733   9.028  -8.185
  429    QA   GLY  42           QA       GLY  42   2.134   9.624  -8.438
  430    H    GLU  43           H        GLU  43   2.345   6.889  -8.650
  431    HA   GLU  43           HA       GLU  43  -0.330   6.224  -9.850
  432   1HB   GLU  43          2HB       GLU  43   2.132   6.121 -10.976
  433   2HB   GLU  43          1HB       GLU  43   2.061   4.504 -10.276
  434   1HG   GLU  43          2HG       GLU  43   0.374   3.822 -11.672
  435   2HG   GLU  43          1HG       GLU  43  -0.368   5.422 -11.725
  436    QB   GLU  43           QB       GLU  43   2.096   5.312 -10.626
  437    QG   GLU  43           QG       GLU  43   0.003   4.622 -11.698
  438    H    TRP  44           H        TRP  44  -0.786   3.742  -9.600
  439    HA   TRP  44           HA       TRP  44   0.211   2.542  -7.053
  440   1HB   TRP  44          2HB       TRP  44  -2.542   3.649  -7.598
  441   2HB   TRP  44          1HB       TRP  44  -2.369   2.234  -6.555
  442    HD1  TRP  44           HD       TRP  44  -1.457   5.941  -6.742
  443    HE1  TRP  44          1HE       TRP  44  -0.775   6.723  -4.383
  444    HE3  TRP  44          3HE       TRP  44  -1.450   1.457  -4.328
  445    HZ2  TRP  44          2HZ       TRP  44  -0.282   5.585  -1.804
  446    HZ3  TRP  44          3HZ       TRP  44  -0.867   1.331  -1.914
  447    HH2  TRP  44           HH       TRP  44  -0.280   3.390  -0.658
  448    QB   TRP  44           QB       TRP  44  -2.456   2.941  -7.076
  449    H    THR  45           H        THR  45   0.431   0.385  -7.416
  450    HA   THR  45           HA       THR  45  -1.462  -0.968  -9.290
  451    HB   THR  45           HB       THR  45   0.297  -1.919 -10.566
  452    HG1  THR  45          1HG       THR  45   2.443  -1.828  -9.899
  453   1HG2  THR  45          2HG2      THR  45  -0.029   0.486 -11.047
  454   2HG2  THR  45          1HG2      THR  45   1.233   0.874  -9.876
  455   3HG2  THR  45          3HG2      THR  45   1.637  -0.020 -11.344
  456    QG2  THR  45           QG2      THR  45   0.947   0.447 -10.756
  457    H    TYR  46           H        TYR  46  -2.129  -2.879  -8.463
  458    HA   TYR  46           HA       TYR  46  -0.844  -3.842  -5.955
  459   1HB   TYR  46          2HB       TYR  46  -3.213  -3.409  -5.832
  460   2HB   TYR  46          1HB       TYR  46  -3.517  -4.329  -7.310
  461    HD1  TYR  46          2HD       TYR  46  -1.633  -4.928  -4.114
  462    HD2  TYR  46          1HD       TYR  46  -4.537  -6.389  -6.918
  463    HE1  TYR  46          2HE       TYR  46  -1.869  -7.005  -2.784
  464    HE2  TYR  46          1HE       TYR  46  -4.770  -8.471  -5.593
  465    HH   TYR  46           HH       TYR  46  -4.274  -8.969  -2.852
  466    QB   TYR  46           QB       TYR  46  -3.365  -3.869  -6.571
  467    QG   TYR  46           QD       TYR  46  -3.085  -5.658  -5.516
  468    QZ   TYR  46           QE       TYR  46  -3.319  -7.738  -4.189
  469    QR   TYR  46           QR       TYR  46  -3.202  -6.698  -4.852
  470    H    ASP  47           H        ASP  47  -0.110  -6.000  -5.778
  471    HA   ASP  47           HA       ASP  47   0.162  -7.502  -8.362
  472   1HB   ASP  47          2HB       ASP  47   1.984  -7.292  -5.941
  473   2HB   ASP  47          1HB       ASP  47   2.298  -8.314  -7.342
  474    QB   ASP  47           QB       ASP  47   2.141  -7.803  -6.641
  475    H    ASP  48           H        ASP  48  -1.567  -8.940  -8.122
  476    HA   ASP  48           HA       ASP  48  -2.301 -10.211  -5.633
  477   1HB   ASP  48          2HB       ASP  48  -3.742  -9.782  -7.654
  478   2HB   ASP  48          1HB       ASP  48  -2.868 -11.071  -8.482
  479    QB   ASP  48           QB       ASP  48  -3.305 -10.427  -8.068
  480    H    ALA  49           H        ALA  49   0.385 -10.768  -7.609
  481    HA   ALA  49           HA       ALA  49   0.487 -13.690  -7.187
  482   1HB   ALA  49          3HB       ALA  49   1.291 -12.043  -9.191
  483   2HB   ALA  49          2HB       ALA  49   2.789 -12.147  -8.266
  484   3HB   ALA  49          1HB       ALA  49   2.033 -13.614  -8.888
  485    QB   ALA  49           QB       ALA  49   2.038 -12.601  -8.782
  486    H    THR  50           H        THR  50   1.797 -10.702  -5.873
  487    HA   THR  50           HA       THR  50   3.326 -12.317  -3.863
  488    HB   THR  50           HB       THR  50   5.011 -10.487  -3.953
  489    HG1  THR  50          1HG       THR  50   4.779  -8.993  -5.690
  490   1HG2  THR  50          2HG2      THR  50   4.948 -12.563  -5.524
  491   2HG2  THR  50          1HG2      THR  50   4.519 -11.398  -6.777
  492   3HG2  THR  50          3HG2      THR  50   6.051 -11.243  -5.916
  493    QG2  THR  50           QG2      THR  50   5.173 -11.735  -6.072
  494    H    LYS  51           H        LYS  51   0.651 -10.458  -4.232
  495    HA   LYS  51           HA       LYS  51  -0.627  -9.096  -2.794
  496   1HB   LYS  51          2HB       LYS  51   1.256 -10.384  -0.785
  497   2HB   LYS  51          1HB       LYS  51  -0.284  -9.618  -0.396
  498   1HG   LYS  51          2HG       LYS  51   0.016 -11.971  -2.287
  499   2HG   LYS  51          1HG       LYS  51  -0.441 -12.115  -0.588
  500   1HD   LYS  51          2HD       LYS  51  -2.370 -10.570  -1.043
  501   2HD   LYS  51          1HD       LYS  51  -1.959 -10.640  -2.757
  502   1HE   LYS  51          2HE       LYS  51  -3.448 -12.401  -2.732
  503   2HE   LYS  51          1HE       LYS  51  -2.028 -13.303  -2.167
  504   1HZ   LYS  51          1HZ       LYS  51  -2.624 -12.655   0.118
  505   2HZ   LYS  51          3HZ       LYS  51  -4.048 -11.939  -0.466
  506   3HZ   LYS  51          2HZ       LYS  51  -3.820 -13.617  -0.612
  507    QB   LYS  51           QB       LYS  51   0.486 -10.001  -0.591
  508    QG   LYS  51           QG       LYS  51  -0.213 -12.043  -1.437
  509    QD   LYS  51           QD       LYS  51  -2.165 -10.605  -1.900
  510    QE   LYS  51           QE       LYS  51  -2.738 -12.852  -2.450
  511    QZ   LYS  51           QZ       LYS  51  -3.497 -12.737  -0.320
  512    H    THR  52           H        THR  52   1.609  -7.826  -4.072
  513    HA   THR  52           HA       THR  52   2.417  -5.851  -1.947
  514    HB   THR  52           HB       THR  52   3.963  -6.634  -4.432
  515    HG1  THR  52          1HG       THR  52   5.085  -8.028  -3.124
  516   1HG2  THR  52          3HG2      THR  52   4.494  -4.977  -1.981
  517   2HG2  THR  52          2HG2      THR  52   5.833  -5.756  -2.824
  518   3HG2  THR  52          1HG2      THR  52   4.815  -4.593  -3.673
  519    QG2  THR  52           QG2      THR  52   5.047  -5.109  -2.826
  520    H    PHE  53           H        PHE  53   2.108  -3.683  -2.452
  521    HA   PHE  53           HA       PHE  53   0.691  -3.075  -4.996
  522   1HB   PHE  53          2HB       PHE  53   1.082  -1.676  -2.345
  523   2HB   PHE  53          1HB       PHE  53   0.273  -0.899  -3.707
  524    HD1  PHE  53          1HD       PHE  53   0.125  -3.747  -1.326
  525    HD2  PHE  53          2HD       PHE  53  -1.965  -1.525  -4.361
  526    HE1  PHE  53          1HE       PHE  53  -1.987  -4.911  -0.728
  527    HE2  PHE  53          2HE       PHE  53  -4.065  -2.692  -3.762
  528   1HZ   PHE  53           HZ       PHE  53  -4.077  -4.384  -1.950
  529    QB   PHE  53           QB       PHE  53   0.678  -1.288  -3.026
  530    QG   PHE  53           QD       PHE  53  -0.920  -2.636  -2.844
  531    QZ   PHE  53           QE       PHE  53  -3.026  -3.801  -2.245
  532    QZ   PHE  53           QR       PHE  53  -2.394  -3.452  -2.425
  533    H    THR  54           H        THR  54   1.344  -0.440  -5.518
  534    HA   THR  54           HA       THR  54   4.266  -0.065  -5.380
  535    HB   THR  54           HB       THR  54   3.022  -0.115  -8.114
  536    HG1  THR  54          1HG       THR  54   4.032  -2.387  -6.748
  537   1HG2  THR  54          1HG2      THR  54   5.728  -0.306  -6.875
  538   2HG2  THR  54          3HG2      THR  54   5.469  -1.118  -8.419
  539   3HG2  THR  54          2HG2      THR  54   5.199   0.620  -8.280
  540    QG2  THR  54           QG2      THR  54   5.465  -0.268  -7.858
  541    H    VAL  55           H        VAL  55   3.662   1.862  -4.334
  542    HA   VAL  55           HA       VAL  55   1.885   3.736  -5.758
  543    HB   VAL  55           HB       VAL  55   1.441   3.479  -3.429
  544   1HG1  VAL  55          3HG1      VAL  55   4.401   3.995  -3.015
  545   2HG1  VAL  55          2HG1      VAL  55   3.211   4.055  -1.714
  546   3HG1  VAL  55          1HG1      VAL  55   3.477   2.546  -2.588
  547   1HG2  VAL  55          2HG2      VAL  55   1.354   5.808  -4.311
  548   2HG2  VAL  55          1HG2      VAL  55   1.702   5.746  -2.582
  549   3HG2  VAL  55          3HG2      VAL  55   3.000   6.057  -3.735
  550    QG1  VAL  55           QG1      VAL  55   3.696   3.532  -2.439
  551    QG2  VAL  55           QG2      VAL  55   2.019   5.870  -3.543
  552    QQG  VAL  55           QQG      VAL  55   2.857   4.701  -2.991
  553    H    THR  56           H        THR  56   2.884   4.767  -7.381
  554    HA   THR  56           HA       THR  56   5.684   5.681  -7.159
  555    HB   THR  56           HB       THR  56   3.530   5.407  -9.237
  556    HG1  THR  56          1HG       THR  56   4.877   3.729  -9.143
  557   1HG2  THR  56          3HG2      THR  56   6.012   7.106  -9.626
  558   2HG2  THR  56          2HG2      THR  56   4.914   6.598 -10.909
  559   3HG2  THR  56          1HG2      THR  56   4.345   7.686  -9.642
  560    QG2  THR  56           QG2      THR  56   5.090   7.130 -10.059
  561    H    GLU  57           H        GLU  57   6.019   8.079  -7.891
  562    HA   GLU  57           HA       GLU  57   3.940   9.809  -6.590
  563   1HB   GLU  57          2HB       GLU  57   6.163   9.402  -5.402
  564   2HB   GLU  57          1HB       GLU  57   6.930  10.284  -6.722
  565   1HG   GLU  57          2HG       GLU  57   4.586  11.639  -5.529
  566   2HG   GLU  57          1HG       GLU  57   5.968  11.463  -4.448
  567    QB   GLU  57           QB       GLU  57   6.546   9.843  -6.062
  568    QG   GLU  57           QG       GLU  57   5.277  11.551  -4.988
   
  No H/Q in entry =         568
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1  -2.916 -15.905   6.505
    2   2H    MET   1          3HT       MET   1  -1.222 -15.971   6.508
    3   3H    MET   1          2HT       MET   1  -2.086 -16.315   7.930
    4    HA   MET   1           HA       MET   1  -2.785 -14.056   8.161
    5   1HB   MET   1          2HB       MET   1   0.059 -14.823   7.691
    6   2HB   MET   1          1HB       MET   1  -0.276 -13.106   7.917
    7   1HG   MET   1          2HG       MET   1  -1.417 -13.582  10.034
    8   2HG   MET   1          1HG       MET   1  -1.156 -15.311   9.803
    9   1HE   MET   1          3HE       MET   1  -0.028 -15.920  11.753
   10   2HE   MET   1          2HE       MET   1   1.368 -15.157  12.511
   11   3HE   MET   1          1HE       MET   1  -0.190 -14.333  12.517
   12    QB   MET   1           QB       MET   1  -0.108 -13.964   7.804
   13    QG   MET   1           QG       MET   1  -1.287 -14.447   9.919
   14    QE   MET   1           QE       MET   1   0.384 -15.137  12.261
   15    H    THR   2           H        THR   2  -3.011 -11.954   7.244
   16    HA   THR   2           HA       THR   2  -2.619 -11.830   4.274
   17    HB   THR   2           HB       THR   2  -4.546 -10.368   6.112
   18    HG1  THR   2          1HG       THR   2  -4.992 -12.494   4.290
   19   1HG2  THR   2          2HG2      THR   2  -3.978 -10.297   3.178
   20   2HG2  THR   2          1HG2      THR   2  -5.654 -10.142   3.703
   21   3HG2  THR   2          3HG2      THR   2  -4.444  -8.986   4.260
   22    QG2  THR   2           QG2      THR   2  -4.692  -9.808   3.714
   23    H    THR   3           H        THR   3  -0.306 -11.163   5.092
   24    HA   THR   3           HA       THR   3  -0.150  -8.358   6.048
   25    HB   THR   3           HB       THR   3   2.025 -10.356   5.353
   26    HG1  THR   3          1HG       THR   3   1.978 -10.715   7.649
   27   1HG2  THR   3          1HG2      THR   3   2.502  -7.824   5.640
   28   2HG2  THR   3          3HG2      THR   3   2.153  -8.100   7.347
   29   3HG2  THR   3          2HG2      THR   3   3.483  -8.958   6.569
   30    QG2  THR   3           QG2      THR   3   2.713  -8.294   6.519
   31    H    PHE   4           H        PHE   4  -0.608  -6.977   4.333
   32    HA   PHE   4           HA       PHE   4   0.448  -7.520   1.629
   33   1HB   PHE   4          2HB       PHE   4  -1.378  -5.541   2.965
   34   2HB   PHE   4          1HB       PHE   4  -0.751  -5.193   1.354
   35    HD1  PHE   4          2HD       PHE   4  -0.942  -7.133  -0.397
   36    HD2  PHE   4          1HD       PHE   4  -3.298  -6.868   3.182
   37    HE1  PHE   4          2HE       PHE   4  -2.617  -8.664  -1.390
   38    HE2  PHE   4          1HE       PHE   4  -4.975  -8.397   2.184
   39   1HZ   PHE   4           HZ       PHE   4  -4.636  -9.298  -0.098
   40    QB   PHE   4           QB       PHE   4  -1.064  -5.367   2.160
   41    QG   PHE   4           QD       PHE   4  -2.120  -7.001   1.392
   42    QZ   PHE   4           QE       PHE   4  -3.796  -8.531   0.397
   43    QZ   PHE   4           QR       PHE   4  -3.293  -8.072   0.696
   44    H    LYS   5           H        LYS   5   1.945  -6.112   0.566
   45    HA   LYS   5           HA       LYS   5   3.601  -4.431   2.419
   46   1HB   LYS   5          2HB       LYS   5   4.297  -5.954  -0.117
   47   2HB   LYS   5          1HB       LYS   5   5.440  -5.015   0.843
   48   1HG   LYS   5          2HG       LYS   5   5.811  -7.050   1.831
   49   2HG   LYS   5          1HG       LYS   5   4.410  -6.571   2.791
   50   1HD   LYS   5          2HD       LYS   5   3.015  -8.063   1.753
   51   2HD   LYS   5          1HD       LYS   5   3.833  -7.905   0.198
   52   1HE   LYS   5          2HE       LYS   5   5.796  -9.174   1.253
   53   2HE   LYS   5          1HE       LYS   5   4.688  -9.565   2.583
   54   1HZ   LYS   5          1HZ       LYS   5   4.103 -10.030  -0.293
   55   2HZ   LYS   5          3HZ       LYS   5   4.630 -11.232   0.782
   56   3HZ   LYS   5          2HZ       LYS   5   3.127 -10.478   1.023
   57    QB   LYS   5           QB       LYS   5   4.868  -5.484   0.363
   58    QG   LYS   5           QG       LYS   5   5.110  -6.811   2.311
   59    QD   LYS   5           QD       LYS   5   3.424  -7.984   0.975
   60    QE   LYS   5           QE       LYS   5   5.242  -9.369   1.918
   61    QZ   LYS   5           QZ       LYS   5   3.953 -10.580   0.504
   62    H    LEU   6           H        LEU   6   5.060  -3.001   0.595
   63    HA   LEU   6           HA       LEU   6   3.410  -1.844  -1.522
   64   1HB   LEU   6          2HB       LEU   6   2.337  -0.939   0.499
   65   2HB   LEU   6          1HB       LEU   6   3.893  -0.349   1.080
   66    HG   LEU   6           HG       LEU   6   4.014   0.983  -1.126
   67   1HD1  LEU   6          2HD1      LEU   6   1.154   0.026  -1.126
   68   2HD1  LEU   6          1HD1      LEU   6   1.609   1.538  -1.911
   69   3HD1  LEU   6          3HD1      LEU   6   2.317   0.017  -2.452
   70   1HD2  LEU   6          1HD2      LEU   6   3.374   1.804   1.255
   71   2HD2  LEU   6          3HD2      LEU   6   2.953   2.832  -0.114
   72   3HD2  LEU   6          2HD2      LEU   6   1.721   1.824   0.643
   73    QB   LEU   6           QB       LEU   6   3.115  -0.644   0.790
   74    QD1  LEU   6           QD1      LEU   6   1.694   0.527  -1.829
   75    QD2  LEU   6           QD2      LEU   6   2.683   2.153   0.594
   76    QQD  LEU   6           QQD      LEU   6   2.188   1.340  -0.618
   77    H    ILE   7           H        ILE   7   5.121  -1.760  -2.959
   78    HA   ILE   7           HA       ILE   7   7.796  -0.859  -2.090
   79    HB   ILE   7           HB       ILE   7   6.656  -1.630  -4.803
   80   1HG1  ILE   7          2HG1      ILE   7   8.388  -3.311  -2.975
   81   2HG1  ILE   7          1HG1      ILE   7   6.626  -3.387  -2.927
   82   1HG2  ILE   7          1HG2      ILE   7   9.334  -0.781  -3.841
   83   2HG2  ILE   7          3HG2      ILE   7   9.312  -2.180  -4.915
   84   3HG2  ILE   7          2HG2      ILE   7   8.620  -0.649  -5.448
   85   1HD1  ILE   7          2HD1      ILE   7   8.307  -3.855  -5.406
   86   2HD1  ILE   7          1HD1      ILE   7   7.598  -5.130  -4.415
   87   3HD1  ILE   7          3HD1      ILE   7   6.555  -4.011  -5.292
   88    QG1  ILE   7           QG1      ILE   7   7.507  -3.349  -2.951
   89    QG2  ILE   7           QG2      ILE   7   9.089  -1.203  -4.735
   90    QD1  ILE   7           QD1      ILE   7   7.487  -4.332  -5.038
   91    H    ILE   8           H        ILE   8   7.803   1.358  -1.738
   92    HA   ILE   8           HA       ILE   8   6.174   3.185  -3.307
   93    HB   ILE   8           HB       ILE   8   8.558   3.816  -1.546
   94   1HG1  ILE   8          2HG1      ILE   8   6.427   2.307  -0.647
   95   2HG1  ILE   8          1HG1      ILE   8   7.393   3.354   0.371
   96   1HG2  ILE   8          3HG2      ILE   8   6.105   5.349  -2.434
   97   2HG2  ILE   8          2HG2      ILE   8   7.200   5.917  -1.165
   98   3HG2  ILE   8          1HG2      ILE   8   7.797   5.702  -2.812
   99   1HD1  ILE   8          1HD1      ILE   8   5.019   4.522  -1.048
  100   2HD1  ILE   8          3HD1      ILE   8   4.754   3.522   0.378
  101   3HD1  ILE   8          2HD1      ILE   8   5.735   4.981   0.495
  102    QG1  ILE   8           QG1      ILE   8   6.910   2.830  -0.138
  103    QG2  ILE   8           QG2      ILE   8   7.034   5.656  -2.137
  104    QD1  ILE   8           QD1      ILE   8   5.169   4.341  -0.059
  105    H    ASN   9           H        ASN   9   6.730   3.359  -5.463
  106    HA   ASN   9           HA       ASN   9   9.514   3.230  -6.382
  107   1HB   ASN   9          2HB       ASN   9   7.610   2.274  -7.620
  108   2HB   ASN   9          1HB       ASN   9   6.889   3.872  -7.748
  109   1HD2  ASN   9          2HD2      ASN   9   8.583   4.413 -10.783
  110   2HD2  ASN   9          1HD2      ASN   9   7.140   4.548  -9.892
  111    QB   ASN   9           QB       ASN   9   7.249   3.073  -7.684
  112    QD2  ASN   9           QD2      ASN   9   7.861   4.480 -10.338
  113    H    GLY  10           H        GLY  10   7.891   5.692  -4.859
  114   1HA   GLY  10          2HA       GLY  10   8.510   7.915  -6.623
  115   2HA   GLY  10          1HA       GLY  10   8.018   8.041  -4.933
  116    QA   GLY  10           QA       GLY  10   8.264   7.978  -5.778
  117    H    LYS  11           H        LYS  11   9.649   9.550  -4.389
  118    HA   LYS  11           HA       LYS  11  12.395   8.375  -4.195
  119   1HB   LYS  11          2HB       LYS  11  13.269  10.611  -4.884
  120   2HB   LYS  11          1HB       LYS  11  12.292   9.861  -6.145
  121   1HG   LYS  11          2HG       LYS  11  10.436  11.274  -5.705
  122   2HG   LYS  11          1HG       LYS  11  11.090  11.780  -4.147
  123   1HD   LYS  11          2HD       LYS  11  12.984  12.882  -5.344
  124   2HD   LYS  11          1HD       LYS  11  12.216  12.464  -6.876
  125   1HE   LYS  11          2HE       LYS  11  10.111  13.661  -5.772
  126   2HE   LYS  11          1HE       LYS  11  11.371  14.484  -4.830
  127   1HZ   LYS  11          1HZ       LYS  11  12.543  14.927  -6.935
  128   2HZ   LYS  11          3HZ       LYS  11  11.238  14.264  -7.791
  129   3HZ   LYS  11          2HZ       LYS  11  11.020  15.678  -6.874
  130    QB   LYS  11           QB       LYS  11  12.781  10.236  -5.515
  131    QG   LYS  11           QG       LYS  11  10.763  11.527  -4.926
  132    QD   LYS  11           QD       LYS  11  12.600  12.673  -6.110
  133    QE   LYS  11           QE       LYS  11  10.741  14.072  -5.301
  134    QZ   LYS  11           QZ       LYS  11  11.600  14.956  -7.200
  135    H    THR  12           H        THR  12  10.202   8.719  -2.212
  136    HA   THR  12           HA       THR  12  11.746  10.273  -0.195
  137    HB   THR  12           HB       THR  12   9.462  11.309   0.439
  138    HG1  THR  12          1HG       THR  12   7.964  10.396  -0.739
  139   1HG2  THR  12          3HG2      THR  12  11.326  12.553  -0.622
  140   2HG2  THR  12          2HG2      THR  12  10.731  12.061  -2.207
  141   3HG2  THR  12          1HG2      THR  12   9.754  13.116  -1.188
  142    QG2  THR  12           QG2      THR  12  10.604  12.577  -1.339
  143    H    LEU  13           H        LEU  13  10.672   7.354  -0.839
  144    HA   LEU  13           HA       LEU  13  10.309   6.579   1.932
  145   1HB   LEU  13          2HB       LEU  13   8.022   7.422   0.373
  146   2HB   LEU  13          1HB       LEU  13   7.857   5.712   0.767
  147    HG   LEU  13           HG       LEU  13   8.409   7.935   2.759
  148   1HD1  LEU  13          2HD1      LEU  13   5.948   6.571   1.778
  149   2HD1  LEU  13          1HD1      LEU  13   6.056   6.858   3.515
  150   3HD1  LEU  13          3HD1      LEU  13   6.157   8.212   2.391
  151   1HD2  LEU  13          1HD2      LEU  13   8.124   4.934   3.011
  152   2HD2  LEU  13          3HD2      LEU  13   9.421   5.961   3.623
  153   3HD2  LEU  13          2HD2      LEU  13   7.828   6.008   4.379
  154    QB   LEU  13           QB       LEU  13   7.940   6.567   0.570
  155    QD1  LEU  13           QD1      LEU  13   6.054   7.214   2.561
  156    QD2  LEU  13           QD2      LEU  13   8.458   5.634   3.671
  157    QQD  LEU  13           QQD      LEU  13   7.256   6.424   3.116
  158    H    LYS  14           H        LYS  14  11.942   5.777  -0.368
  159    HA   LYS  14           HA       LYS  14  11.122   3.462  -1.720
  160   1HB   LYS  14          2HB       LYS  14  13.604   2.957  -1.740
  161   2HB   LYS  14          1HB       LYS  14  13.186   4.594  -2.240
  162   1HG   LYS  14          2HG       LYS  14  14.266   5.531  -0.480
  163   2HG   LYS  14          1HG       LYS  14  13.619   4.353   0.658
  164   1HD   LYS  14          2HD       LYS  14  15.691   3.429  -1.293
  165   2HD   LYS  14          1HD       LYS  14  16.217   4.415   0.072
  166   1HE   LYS  14          2HE       LYS  14  15.037   2.821   1.617
  167   2HE   LYS  14          1HE       LYS  14  14.698   1.788   0.214
  168   1HZ   LYS  14          1HZ       LYS  14  17.109   1.853  -0.288
  169   2HZ   LYS  14          3HZ       LYS  14  17.368   2.660   1.181
  170   3HZ   LYS  14          2HZ       LYS  14  16.754   1.077   1.181
  171    QB   LYS  14           QB       LYS  14  13.395   3.775  -1.990
  172    QG   LYS  14           QG       LYS  14  13.943   4.942   0.089
  173    QD   LYS  14           QD       LYS  14  15.954   3.922  -0.610
  174    QE   LYS  14           QE       LYS  14  14.867   2.305   0.916
  175    QZ   LYS  14           QZ       LYS  14  17.077   1.863   0.691
  176    H    GLY  15           H        GLY  15   9.930   1.962  -0.470
  177   1HA   GLY  15          2HA       GLY  15  11.458   0.085   1.111
  178   2HA   GLY  15          1HA       GLY  15  10.444   1.092   2.144
  179    QA   GLY  15           QA       GLY  15  10.951   0.589   1.628
  180    H    GLU  16           H        GLU  16   9.776  -1.438   2.315
  181    HA   GLU  16           HA       GLU  16   7.602  -2.009   0.341
  182   1HB   GLU  16          2HB       GLU  16   9.645  -3.536   1.305
  183   2HB   GLU  16          1HB       GLU  16   8.365  -3.959   2.441
  184   1HG   GLU  16          2HG       GLU  16   7.753  -5.456   0.837
  185   2HG   GLU  16          1HG       GLU  16   7.003  -4.055   0.072
  186    QB   GLU  16           QB       GLU  16   9.005  -3.748   1.873
  187    QG   GLU  16           QG       GLU  16   7.378  -4.755   0.455
  188    H    ILE  17           H        ILE  17   8.244  -1.877   3.858
  189    HA   ILE  17           HA       ILE  17   6.779  -1.593   5.689
  190    HB   ILE  17           HB       ILE  17   5.198  -0.207   3.496
  191   1HG1  ILE  17          2HG1      ILE  17   7.506   0.633   3.656
  192   2HG1  ILE  17          1HG1      ILE  17   6.374   1.834   4.272
  193   1HG2  ILE  17          3HG2      ILE  17   4.309  -0.757   6.011
  194   2HG2  ILE  17          2HG2      ILE  17   5.118   0.784   6.286
  195   3HG2  ILE  17          1HG2      ILE  17   3.828   0.668   5.092
  196   1HD1  ILE  17          2HD1      ILE  17   6.918   0.449   6.557
  197   2HD1  ILE  17          1HD1      ILE  17   8.455   0.290   5.707
  198   3HD1  ILE  17          3HD1      ILE  17   7.801   1.891   6.054
  199    QG1  ILE  17           QG1      ILE  17   6.940   1.234   3.964
  200    QG2  ILE  17           QG2      ILE  17   4.418   0.231   5.796
  201    QD1  ILE  17           QD1      ILE  17   7.725   0.876   6.106
  202    H    THR  18           H        THR  18   6.273  -3.890   5.829
  203    HA   THR  18           HA       THR  18   3.940  -4.960   4.389
  204    HB   THR  18           HB       THR  18   4.533  -6.985   5.729
  205    HG1  THR  18          1HG       THR  18   5.269  -6.171   7.605
  206   1HG2  THR  18          3HG2      THR  18   6.302  -5.541   3.908
  207   2HG2  THR  18          2HG2      THR  18   7.193  -6.617   4.983
  208   3HG2  THR  18          1HG2      THR  18   5.908  -7.260   3.963
  209    QG2  THR  18           QG2      THR  18   6.467  -6.473   4.285
  210    H    ILE  19           H        ILE  19   1.873  -5.053   5.214
  211    HA   ILE  19           HA       ILE  19   1.458  -4.624   8.139
  212    HB   ILE  19           HB       ILE  19  -0.251  -2.902   7.609
  213   1HG1  ILE  19          2HG1      ILE  19   0.197  -2.011   5.093
  214   2HG1  ILE  19          1HG1      ILE  19   0.449  -3.737   4.838
  215   1HG2  ILE  19          1HG2      ILE  19   2.229  -2.385   7.988
  216   2HG2  ILE  19          3HG2      ILE  19   2.348  -2.188   6.239
  217   3HG2  ILE  19          2HG2      ILE  19   1.287  -1.135   7.175
  218   1HD1  ILE  19          3HD1      ILE  19  -1.790  -3.874   6.307
  219   2HD1  ILE  19          2HD1      ILE  19  -2.034  -2.276   5.601
  220   3HD1  ILE  19          1HD1      ILE  19  -1.834  -3.682   4.555
  221    QG1  ILE  19           QG1      ILE  19   0.323  -2.874   4.965
  222    QG2  ILE  19           QG2      ILE  19   1.955  -1.902   7.134
  223    QD1  ILE  19           QD1      ILE  19  -1.886  -3.277   5.488
  224    H    GLU  20           H        GLU  20  -0.463  -5.586   8.924
  225    HA   GLU  20           HA       GLU  20  -1.632  -7.671   7.191
  226   1HB   GLU  20          2HB       GLU  20  -1.667  -6.915  10.107
  227   2HB   GLU  20          1HB       GLU  20  -2.805  -8.112   9.487
  228   1HG   GLU  20          2HG       GLU  20  -0.599  -9.114   8.381
  229   2HG   GLU  20          1HG       GLU  20   0.171  -8.271   9.726
  230    QB   GLU  20           QB       GLU  20  -2.236  -7.514   9.797
  231    QG   GLU  20           QG       GLU  20  -0.214  -8.693   9.054
  232    H    ALA  21           H        ALA  21  -3.912  -7.828   6.783
  233    HA   ALA  21           HA       ALA  21  -5.767  -5.738   7.656
  234   1HB   ALA  21          2HB       ALA  21  -4.339  -5.690   5.031
  235   2HB   ALA  21          1HB       ALA  21  -6.040  -5.220   5.036
  236   3HB   ALA  21          3HB       ALA  21  -4.878  -4.345   6.036
  237    QB   ALA  21           QB       ALA  21  -5.086  -5.085   5.367
  238    H    VAL  22           H        VAL  22  -7.958  -6.155   6.794
  239    HA   VAL  22           HA       VAL  22  -8.772  -8.839   6.770
  240    HB   VAL  22           HB       VAL  22 -10.221  -6.886   7.166
  241   1HG1  VAL  22          2HG1      VAL  22  -9.073  -5.571   5.249
  242   2HG1  VAL  22          1HG1      VAL  22 -10.224  -6.383   4.189
  243   3HG1  VAL  22          3HG1      VAL  22 -10.805  -5.334   5.482
  244   1HG2  VAL  22          2HG2      VAL  22 -11.041  -8.622   4.817
  245   2HG2  VAL  22          1HG2      VAL  22 -11.353  -8.933   6.524
  246   3HG2  VAL  22          3HG2      VAL  22 -12.154  -7.588   5.712
  247    QG1  VAL  22           QG1      VAL  22 -10.034  -5.763   4.973
  248    QG2  VAL  22           QG2      VAL  22 -11.516  -8.381   5.684
  249    QQG  VAL  22           QQG      VAL  22 -10.775  -7.072   5.329
  250    H    ASP  23           H        ASP  23  -7.985  -6.728   4.023
  251    HA   ASP  23           HA       ASP  23  -7.373  -9.038   2.316
  252   1HB   ASP  23          2HB       ASP  23  -9.870  -7.388   2.121
  253   2HB   ASP  23          1HB       ASP  23  -9.115  -7.930   0.622
  254    QB   ASP  23           QB       ASP  23  -9.492  -7.659   1.372
  255    H    ALA  24           H        ALA  24  -6.778  -8.080   0.013
  256    HA   ALA  24           HA       ALA  24  -4.756  -6.100   0.339
  257   1HB   ALA  24          2HB       ALA  24  -5.379  -7.897  -1.546
  258   2HB   ALA  24          1HB       ALA  24  -6.102  -6.478  -2.305
  259   3HB   ALA  24          3HB       ALA  24  -4.382  -6.487  -1.911
  260    QB   ALA  24           QB       ALA  24  -5.288  -6.954  -1.920
  261    H    ALA  25           H        ALA  25  -8.188  -5.817  -0.362
  262    HA   ALA  25           HA       ALA  25  -8.309  -3.204  -1.441
  263   1HB   ALA  25          1HB       ALA  25 -10.100  -5.005   0.151
  264   2HB   ALA  25          3HB       ALA  25 -10.608  -3.337  -0.114
  265   3HB   ALA  25          2HB       ALA  25 -10.312  -4.397  -1.491
  266    QB   ALA  25           QB       ALA  25 -10.340  -4.246  -0.485
  267    H    GLU  26           H        GLU  26  -8.445  -4.291   1.956
  268    HA   GLU  26           HA       GLU  26  -8.551  -1.628   3.091
  269   1HB   GLU  26          2HB       GLU  26  -9.309  -3.736   4.192
  270   2HB   GLU  26          1HB       GLU  26  -7.631  -4.279   4.261
  271   1HG   GLU  26          2HG       GLU  26  -7.084  -2.824   5.945
  272   2HG   GLU  26          1HG       GLU  26  -8.198  -1.580   5.377
  273    QB   GLU  26           QB       GLU  26  -8.470  -4.008   4.227
  274    QG   GLU  26           QG       GLU  26  -7.641  -2.202   5.661
  275    H    ALA  27           H        ALA  27  -5.931  -3.963   2.461
  276    HA   ALA  27           HA       ALA  27  -3.755  -2.578   3.652
  277   1HB   ALA  27          3HB       ALA  27  -4.184  -4.561   1.468
  278   2HB   ALA  27          2HB       ALA  27  -2.617  -3.745   1.492
  279   3HB   ALA  27          1HB       ALA  27  -3.156  -4.673   2.897
  280    QB   ALA  27           QB       ALA  27  -3.319  -4.326   1.952
  281    H    GLU  28           H        GLU  28  -5.069  -2.358   0.333
  282    HA   GLU  28           HA       GLU  28  -3.286  -0.398  -0.699
  283   1HB   GLU  28          2HB       GLU  28  -5.161  -1.837  -1.798
  284   2HB   GLU  28          1HB       GLU  28  -6.237  -0.520  -1.336
  285   1HG   GLU  28          2HG       GLU  28  -4.522   1.033  -2.494
  286   2HG   GLU  28          1HG       GLU  28  -3.886  -0.437  -3.236
  287    QB   GLU  28           QB       GLU  28  -5.699  -1.179  -1.567
  288    QG   GLU  28           QG       GLU  28  -4.204   0.298  -2.865
  289    H    LYS  29           H        LYS  29  -6.302  -0.049   1.185
  290    HA   LYS  29           HA       LYS  29  -6.436   2.832   1.079
  291   1HB   LYS  29          2HB       LYS  29  -7.489   0.662   2.892
  292   2HB   LYS  29          1HB       LYS  29  -7.798   2.361   3.241
  293   1HG   LYS  29          2HG       LYS  29  -8.432   2.243   0.577
  294   2HG   LYS  29          1HG       LYS  29  -8.926   0.639   1.122
  295   1HD   LYS  29          2HD       LYS  29 -10.822   2.095   1.405
  296   2HD   LYS  29          1HD       LYS  29 -10.173   1.774   3.014
  297   1HE   LYS  29          2HE       LYS  29 -10.422   4.107   3.076
  298   2HE   LYS  29          1HE       LYS  29  -8.743   3.962   2.519
  299   1HZ   LYS  29          2HZ       LYS  29 -11.080   4.044   0.690
  300   2HZ   LYS  29          1HZ       LYS  29 -10.170   5.418   1.101
  301   3HZ   LYS  29          3HZ       LYS  29  -9.436   4.135   0.268
  302    QB   LYS  29           QB       LYS  29  -7.643   1.511   3.067
  303    QG   LYS  29           QG       LYS  29  -8.679   1.441   0.849
  304    QD   LYS  29           QD       LYS  29 -10.497   1.935   2.210
  305    QE   LYS  29           QE       LYS  29  -9.583   4.034   2.798
  306    QZ   LYS  29           QZ       LYS  29 -10.229   4.532   0.686
  307    H    ILE  30           H        ILE  30  -5.235   0.616   3.626
  308    HA   ILE  30           HA       ILE  30  -4.162   2.552   5.408
  309    HB   ILE  30           HB       ILE  30  -3.283  -0.277   4.700
  310   1HG1  ILE  30          2HG1      ILE  30  -5.025   0.751   6.964
  311   2HG1  ILE  30          1HG1      ILE  30  -5.646   0.025   5.482
  312   1HG2  ILE  30          1HG2      ILE  30  -2.332   1.672   6.745
  313   2HG2  ILE  30          3HG2      ILE  30  -2.592   0.018   7.302
  314   3HG2  ILE  30          2HG2      ILE  30  -1.472   0.337   5.978
  315   1HD1  ILE  30          1HD1      ILE  30  -3.890  -1.890   6.168
  316   2HD1  ILE  30          3HD1      ILE  30  -4.241  -1.256   7.776
  317   3HD1  ILE  30          2HD1      ILE  30  -5.548  -1.880   6.770
  318    QG1  ILE  30           QG1      ILE  30  -5.336   0.388   6.223
  319    QG2  ILE  30           QG2      ILE  30  -2.132   0.676   6.675
  320    QD1  ILE  30           QD1      ILE  30  -4.560  -1.675   6.905
  321    H    PHE  31           H        PHE  31  -2.763   0.977   2.557
  322    HA   PHE  31           HA       PHE  31  -0.143   2.216   2.796
  323   1HB   PHE  31          2HB       PHE  31  -1.706   0.646   0.755
  324   2HB   PHE  31          1HB       PHE  31  -0.188   1.406   0.281
  325    HD1  PHE  31          1HD       PHE  31   1.579   1.150   2.504
  326    HD2  PHE  31          2HD       PHE  31  -1.403  -1.627   1.141
  327    HE1  PHE  31          1HE       PHE  31   2.838  -0.713   3.551
  328    HE2  PHE  31          2HE       PHE  31  -0.143  -3.490   2.191
  329   1HZ   PHE  31           HZ       PHE  31   1.975  -3.033   3.395
  330    QB   PHE  31           QB       PHE  31  -0.947   1.026   0.518
  331    QG   PHE  31           QD       PHE  31   0.088  -0.239   1.822
  332    QZ   PHE  31           QE       PHE  31   1.347  -2.101   2.871
  333    QZ   PHE  31           QR       PHE  31   0.969  -1.543   2.556
  334    H    LYS  32           H        LYS  32  -3.150   2.943   1.064
  335    HA   LYS  32           HA       LYS  32  -2.055   5.202  -0.382
  336   1HB   LYS  32          2HB       LYS  32  -4.751   3.956   0.029
  337   2HB   LYS  32          1HB       LYS  32  -4.610   5.515  -0.777
  338   1HG   LYS  32          2HG       LYS  32  -2.885   4.452  -2.300
  339   2HG   LYS  32          1HG       LYS  32  -3.353   2.895  -1.628
  340   1HD   LYS  32          2HD       LYS  32  -5.232   4.850  -2.994
  341   2HD   LYS  32          1HD       LYS  32  -4.572   3.393  -3.732
  342   1HE   LYS  32          2HE       LYS  32  -6.402   2.316  -2.916
  343   2HE   LYS  32          1HE       LYS  32  -5.676   2.499  -1.308
  344   1HZ   LYS  32          2HZ       LYS  32  -6.646   4.756  -1.230
  345   2HZ   LYS  32          1HZ       LYS  32  -7.462   4.432  -2.685
  346   3HZ   LYS  32          3HZ       LYS  32  -7.825   3.533  -1.294
  347    QB   LYS  32           QB       LYS  32  -4.680   4.736  -0.374
  348    QG   LYS  32           QG       LYS  32  -3.119   3.674  -1.964
  349    QD   LYS  32           QD       LYS  32  -4.902   4.121  -3.363
  350    QE   LYS  32           QE       LYS  32  -6.039   2.407  -2.112
  351    QZ   LYS  32           QZ       LYS  32  -7.311   4.240  -1.736
  352    H    GLN  33           H        GLN  33  -2.661   4.895   2.857
  353    HA   GLN  33           HA       GLN  33  -3.684   7.720   3.127
  354   1HB   GLN  33          2HB       GLN  33  -4.727   5.501   4.195
  355   2HB   GLN  33          1HB       GLN  33  -3.457   5.761   5.387
  356   1HG   GLN  33          2HG       GLN  33  -4.725   7.329   6.388
  357   2HG   GLN  33          1HG       GLN  33  -4.692   8.291   4.912
  358   1HE2  GLN  33          2HE2      GLN  33  -8.027   6.136   5.852
  359   2HE2  GLN  33          1HE2      GLN  33  -6.613   5.984   6.779
  360    QB   GLN  33           QB       GLN  33  -4.092   5.631   4.791
  361    QG   GLN  33           QG       GLN  33  -4.709   7.810   5.650
  362    QE2  GLN  33           QE2      GLN  33  -7.320   6.060   6.316
  363    H    TYR  34           H        TYR  34  -1.468   5.284   4.253
  364    HA   TYR  34           HA       TYR  34   0.362   6.704   5.858
  365   1HB   TYR  34          2HB       TYR  34   0.415   4.350   5.754
  366   2HB   TYR  34          1HB       TYR  34   0.263   4.337   3.993
  367    HD1  TYR  34          1HD       TYR  34   2.606   5.026   6.829
  368    HD2  TYR  34          2HD       TYR  34   2.228   4.288   2.614
  369    HE1  TYR  34          1HE       TYR  34   5.067   4.776   6.653
  370    HE2  TYR  34          2HE       TYR  34   4.690   4.039   2.439
  371    HH   TYR  34           HH       TYR  34   6.700   3.702   5.168
  372    QB   TYR  34           QB       TYR  34   0.339   4.344   4.874
  373    QG   TYR  34           QD       TYR  34   2.417   4.657   4.722
  374    QZ   TYR  34           QE       TYR  34   4.878   4.407   4.546
  375    QR   TYR  34           QR       TYR  34   3.648   4.532   4.634
  376    H    ALA  35           H        ALA  35   0.237   6.244   2.326
  377    HA   ALA  35           HA       ALA  35   2.664   7.598   1.591
  378   1HB   ALA  35          1HB       ALA  35   0.056   6.836   0.306
  379   2HB   ALA  35          3HB       ALA  35   1.149   7.909  -0.569
  380   3HB   ALA  35          2HB       ALA  35   1.691   6.301  -0.084
  381    QB   ALA  35           QB       ALA  35   0.965   7.015  -0.115
  382    H    ASN  36           H        ASN  36  -0.721   8.773   1.749
  383    HA   ASN  36           HA       ASN  36  -0.289  11.452   0.931
  384   1HB   ASN  36          2HB       ASN  36  -2.259   9.973   2.627
  385   2HB   ASN  36          1HB       ASN  36  -2.339  11.734   2.588
  386   1HD2  ASN  36          2HD2      ASN  36  -2.966   9.735  -0.962
  387   2HD2  ASN  36          1HD2      ASN  36  -1.914   9.058   0.185
  388    QB   ASN  36           QB       ASN  36  -2.299  10.854   2.607
  389    QD2  ASN  36           QD2      ASN  36  -2.440   9.397  -0.388
  390    H    ASP  37           H        ASP  37  -0.300  10.114   4.249
  391    HA   ASP  37           HA       ASP  37   0.236  12.483   5.685
  392   1HB   ASP  37          2HB       ASP  37   0.705   9.558   6.043
  393   2HB   ASP  37          1HB       ASP  37   1.483  10.654   7.186
  394    QB   ASP  37           QB       ASP  37   1.094  10.106   6.614
  395    H    ASN  38           H        ASN  38   2.376  10.562   3.739
  396    HA   ASN  38           HA       ASN  38   4.756  11.995   4.715
  397   1HB   ASN  38          2HB       ASN  38   4.135   9.471   3.268
  398   2HB   ASN  38          1HB       ASN  38   5.696  10.221   2.935
  399   1HD2  ASN  38          2HD2      ASN  38   5.322   8.107   6.280
  400   2HD2  ASN  38          1HD2      ASN  38   4.285   7.979   4.942
  401    QB   ASN  38           QB       ASN  38   4.915   9.846   3.101
  402    QD2  ASN  38           QD2      ASN  38   4.803   8.043   5.611
  403    H    GLY  39           H        GLY  39   2.633  11.754   1.944
  404   1HA   GLY  39          2HA       GLY  39   2.510  13.649   0.374
  405   2HA   GLY  39          1HA       GLY  39   4.251  13.861   0.575
  406    QA   GLY  39           QA       GLY  39   3.381  13.755   0.474
  407    H    ILE  40           H        ILE  40   2.771  10.704   0.217
  408    HA   ILE  40           HA       ILE  40   4.333  10.280  -2.272
  409    HB   ILE  40           HB       ILE  40   3.143   8.678  -0.049
  410   1HG1  ILE  40          2HG1      ILE  40   5.398   7.580  -0.233
  411   2HG1  ILE  40          1HG1      ILE  40   5.776   8.739  -1.511
  412   1HG2  ILE  40          1HG2      ILE  40   2.300   7.570  -2.163
  413   2HG2  ILE  40          3HG2      ILE  40   3.987   7.335  -2.622
  414   3HG2  ILE  40          2HG2      ILE  40   3.349   6.572  -1.163
  415   1HD1  ILE  40          3HD1      ILE  40   4.796   9.566   1.223
  416   2HD1  ILE  40          2HD1      ILE  40   6.513   9.428   0.819
  417   3HD1  ILE  40          1HD1      ILE  40   5.494  10.594  -0.034
  418    QG1  ILE  40           QG1      ILE  40   5.587   8.160  -0.872
  419    QG2  ILE  40           QG2      ILE  40   3.212   7.159  -1.982
  420    QD1  ILE  40           QD1      ILE  40   5.601   9.862   0.669
  421    H    ASP  41           H        ASP  41   3.181  11.011  -3.994
  422    HA   ASP  41           HA       ASP  41   0.498   9.817  -4.498
  423   1HB   ASP  41          2HB       ASP  41   0.739  12.289  -3.363
  424   2HB   ASP  41          1HB       ASP  41   0.733  12.714  -5.075
  425    QB   ASP  41           QB       ASP  41   0.736  12.502  -4.219
  426    H    GLY  42           H        GLY  42   1.162   8.725  -6.348
  427   1HA   GLY  42          2HA       GLY  42   1.767  10.362  -8.718
  428   2HA   GLY  42          1HA       GLY  42   3.017   9.201  -8.263
  429    QA   GLY  42           QA       GLY  42   2.392   9.781  -8.490
  430    H    GLU  43           H        GLU  43   2.217   6.895  -7.966
  431    HA   GLU  43           HA       GLU  43  -0.109   6.260  -9.753
  432   1HB   GLU  43          2HB       GLU  43   2.735   5.204  -9.811
  433   2HB   GLU  43          1HB       GLU  43   1.404   4.419 -10.662
  434   1HG   GLU  43          2HG       GLU  43   0.954   6.747 -11.701
  435   2HG   GLU  43          1HG       GLU  43   2.577   7.155 -11.143
  436    QB   GLU  43           QB       GLU  43   2.069   4.811 -10.237
  437    QG   GLU  43           QG       GLU  43   1.765   6.951 -11.422
  438    H    TRP  44           H        TRP  44  -0.665   3.825  -9.487
  439    HA   TRP  44           HA       TRP  44   0.103   2.595  -6.891
  440   1HB   TRP  44          2HB       TRP  44  -2.538   3.903  -7.524
  441   2HB   TRP  44          1HB       TRP  44  -2.513   2.467  -6.491
  442    HD1  TRP  44           HD       TRP  44  -1.549   6.136  -6.525
  443    HE1  TRP  44          1HE       TRP  44  -0.741   6.793  -4.163
  444    HE3  TRP  44          3HE       TRP  44  -1.407   1.533  -4.374
  445    HZ2  TRP  44          2HZ       TRP  44  -0.115   5.510  -1.675
  446    HZ3  TRP  44          3HZ       TRP  44  -0.706   1.269  -2.003
  447    HH2  TRP  44           HH       TRP  44  -0.054   3.249  -0.663
  448    QB   TRP  44           QB       TRP  44  -2.525   3.185  -7.008
  449    H    THR  45           H        THR  45   0.236   0.442  -7.266
  450    HA   THR  45           HA       THR  45  -1.705  -0.852  -9.122
  451    HB   THR  45           HB       THR  45   0.005  -1.823 -10.461
  452    HG1  THR  45          1HG       THR  45   2.043  -2.022  -9.823
  453   1HG2  THR  45          1HG2      THR  45  -0.346   0.582 -10.932
  454   2HG2  THR  45          3HG2      THR  45   0.966   0.973  -9.819
  455   3HG2  THR  45          2HG2      THR  45   1.304   0.074 -11.301
  456    QG2  THR  45           QG2      THR  45   0.641   0.543 -10.684
  457    H    TYR  46           H        TYR  46  -2.356  -2.777  -8.292
  458    HA   TYR  46           HA       TYR  46  -1.027  -3.762  -5.823
  459   1HB   TYR  46          2HB       TYR  46  -3.399  -3.401  -5.694
  460   2HB   TYR  46          1HB       TYR  46  -3.678  -4.289  -7.197
  461    HD1  TYR  46          2HD       TYR  46  -1.853  -4.895  -3.971
  462    HD2  TYR  46          1HD       TYR  46  -4.591  -6.414  -6.907
  463    HE1  TYR  46          2HE       TYR  46  -2.042  -7.008  -2.696
  464    HE2  TYR  46          1HE       TYR  46  -4.778  -8.535  -5.635
  465    HH   TYR  46           HH       TYR  46  -4.361  -9.075  -2.894
  466    QB   TYR  46           QB       TYR  46  -3.538  -3.845  -6.445
  467    QG   TYR  46           QD       TYR  46  -3.222  -5.654  -5.439
  468    QZ   TYR  46           QE       TYR  46  -3.410  -7.772  -4.166
  469    QR   TYR  46           QR       TYR  46  -3.316  -6.713  -4.802
  470    H    ASP  47           H        ASP  47  -0.060  -5.790  -5.714
  471    HA   ASP  47           HA       ASP  47   0.236  -7.277  -8.298
  472   1HB   ASP  47          2HB       ASP  47   2.184  -6.138  -6.958
  473   2HB   ASP  47          1HB       ASP  47   2.028  -7.535  -5.891
  474    QB   ASP  47           QB       ASP  47   2.106  -6.837  -6.424
  475    H    ASP  48           H        ASP  48  -1.454  -8.774  -8.142
  476    HA   ASP  48           HA       ASP  48  -2.205 -10.131  -5.701
  477   1HB   ASP  48          2HB       ASP  48  -3.590 -11.465  -7.276
  478   2HB   ASP  48          1HB       ASP  48  -3.723  -9.735  -7.586
  479    QB   ASP  48           QB       ASP  48  -3.657 -10.600  -7.431
  480    H    ALA  49           H        ALA  49   0.558 -10.549  -7.577
  481    HA   ALA  49           HA       ALA  49   0.707 -13.488  -7.274
  482   1HB   ALA  49          3HB       ALA  49   1.427 -12.111  -9.317
  483   2HB   ALA  49          2HB       ALA  49   2.779 -11.550  -8.334
  484   3HB   ALA  49          1HB       ALA  49   2.615 -13.265  -8.709
  485    QB   ALA  49           QB       ALA  49   2.274 -12.309  -8.787
  486    H    THR  50           H        THR  50   1.896 -10.526  -5.802
  487    HA   THR  50           HA       THR  50   3.409 -12.183  -3.814
  488    HB   THR  50           HB       THR  50   5.075 -10.333  -3.804
  489    HG1  THR  50          1HG       THR  50   3.526  -9.368  -5.972
  490   1HG2  THR  50          1HG2      THR  50   5.026 -12.357  -5.480
  491   2HG2  THR  50          3HG2      THR  50   4.704 -11.105  -6.678
  492   3HG2  THR  50          2HG2      THR  50   6.185 -11.049  -5.723
  493    QG2  THR  50           QG2      THR  50   5.305 -11.504  -5.960
  494    H    LYS  51           H        LYS  51   0.712 -10.377  -4.179
  495    HA   LYS  51           HA       LYS  51  -0.616  -9.072  -2.731
  496   1HB   LYS  51          2HB       LYS  51   1.263 -10.375  -0.728
  497   2HB   LYS  51          1HB       LYS  51  -0.289  -9.635  -0.336
  498   1HG   LYS  51          2HG       LYS  51  -0.067 -11.845  -2.382
  499   2HG   LYS  51          1HG       LYS  51  -0.261 -12.193  -0.662
  500   1HD   LYS  51          2HD       LYS  51  -2.299 -10.715  -0.667
  501   2HD   LYS  51          1HD       LYS  51  -2.144 -10.596  -2.419
  502   1HE   LYS  51          2HE       LYS  51  -2.635 -12.884  -2.742
  503   2HE   LYS  51          1HE       LYS  51  -2.253 -13.292  -1.058
  504   1HZ   LYS  51          2HZ       LYS  51  -4.450 -11.465  -1.876
  505   2HZ   LYS  51          1HZ       LYS  51  -4.673 -13.107  -1.497
  506   3HZ   LYS  51          3HZ       LYS  51  -4.123 -12.031  -0.307
  507    QB   LYS  51           QB       LYS  51   0.487 -10.005  -0.532
  508    QG   LYS  51           QG       LYS  51  -0.164 -12.019  -1.522
  509    QD   LYS  51           QD       LYS  51  -2.221 -10.655  -1.543
  510    QE   LYS  51           QE       LYS  51  -2.444 -13.088  -1.900
  511    QZ   LYS  51           QZ       LYS  51  -4.415 -12.201  -1.226
  512    H    THR  52           H        THR  52   1.572  -7.702  -3.952
  513    HA   THR  52           HA       THR  52   2.251  -5.725  -1.790
  514    HB   THR  52           HB       THR  52   3.991  -6.627  -4.107
  515    HG1  THR  52          1HG       THR  52   4.238  -8.280  -2.827
  516   1HG2  THR  52          3HG2      THR  52   4.351  -4.730  -1.796
  517   2HG2  THR  52          2HG2      THR  52   5.741  -5.505  -2.556
  518   3HG2  THR  52          1HG2      THR  52   4.685  -4.460  -3.507
  519    QG2  THR  52           QG2      THR  52   4.926  -4.898  -2.620
  520    H    PHE  53           H        PHE  53   1.791  -3.609  -2.336
  521    HA   PHE  53           HA       PHE  53   0.589  -3.083  -4.980
  522   1HB   PHE  53          2HB       PHE  53   0.901  -1.526  -2.402
  523   2HB   PHE  53          1HB       PHE  53   0.101  -0.865  -3.828
  524    HD1  PHE  53          2HD       PHE  53   0.012  -3.718  -1.412
  525    HD2  PHE  53          1HD       PHE  53  -2.168  -1.403  -4.310
  526    HE1  PHE  53          2HE       PHE  53  -2.091  -4.875  -0.761
  527    HE2  PHE  53          1HE       PHE  53  -4.254  -2.563  -3.659
  528   1HZ   PHE  53           HZ       PHE  53  -4.217  -4.299  -1.890
  529    QB   PHE  53           QB       PHE  53   0.501  -1.195  -3.115
  530    QG   PHE  53           QD       PHE  53  -1.078  -2.561  -2.861
  531    QZ   PHE  53           QE       PHE  53  -3.172  -3.719  -2.210
  532    QZ   PHE  53           QR       PHE  53  -2.543  -3.372  -2.407
  533    H    THR  54           H        THR  54   1.293  -0.418  -5.495
  534    HA   THR  54           HA       THR  54   4.231  -0.148  -5.342
  535    HB   THR  54           HB       THR  54   2.940  -0.169  -8.064
  536    HG1  THR  54          1HG       THR  54   3.463  -2.365  -8.220
  537   1HG2  THR  54          1HG2      THR  54   5.394   0.557  -7.303
  538   2HG2  THR  54          3HG2      THR  54   5.680  -1.176  -7.462
  539   3HG2  THR  54          2HG2      THR  54   5.103  -0.247  -8.844
  540    QG2  THR  54           QG2      THR  54   5.392  -0.289  -7.870
  541    H    VAL  55           H        VAL  55   4.081   1.919  -4.517
  542    HA   VAL  55           HA       VAL  55   2.325   3.834  -5.979
  543    HB   VAL  55           HB       VAL  55   1.594   3.415  -3.715
  544   1HG1  VAL  55          3HG1      VAL  55   4.450   4.094  -2.935
  545   2HG1  VAL  55          2HG1      VAL  55   3.112   3.924  -1.792
  546   3HG1  VAL  55          1HG1      VAL  55   3.629   2.535  -2.748
  547   1HG2  VAL  55          3HG2      VAL  55   3.053   6.065  -3.926
  548   2HG2  VAL  55          2HG2      VAL  55   1.404   5.735  -4.454
  549   3HG2  VAL  55          1HG2      VAL  55   1.806   5.695  -2.737
  550    QG1  VAL  55           QG1      VAL  55   3.730   3.518  -2.492
  551    QG2  VAL  55           QG2      VAL  55   2.088   5.832  -3.706
  552    QQG  VAL  55           QQG      VAL  55   2.909   4.675  -3.099
  553    H    THR  56           H        THR  56   3.260   5.506  -6.981
  554    HA   THR  56           HA       THR  56   6.057   6.241  -6.218
  555    HB   THR  56           HB       THR  56   5.380   4.870  -8.436
  556    HG1  THR  56          1HG       THR  56   7.267   6.968  -8.553
  557   1HG2  THR  56          3HG2      THR  56   3.899   6.728  -9.275
  558   2HG2  THR  56          2HG2      THR  56   5.344   7.728  -9.433
  559   3HG2  THR  56          1HG2      THR  56   5.183   6.254 -10.389
  560    QG2  THR  56           QG2      THR  56   4.809   6.903  -9.699
  561    H    GLU  57           H        GLU  57   6.403   8.497  -7.662
  562    HA   GLU  57           HA       GLU  57   4.096  10.263  -6.886
  563   1HB   GLU  57          2HB       GLU  57   6.331  10.218  -5.526
  564   2HB   GLU  57          1HB       GLU  57   6.992  11.110  -6.897
  565   1HG   GLU  57          2HG       GLU  57   4.900  12.641  -6.600
  566   2HG   GLU  57          1HG       GLU  57   4.817  11.933  -4.987
  567    QB   GLU  57           QB       GLU  57   6.662  10.664  -6.212
  568    QG   GLU  57           QG       GLU  57   4.858  12.287  -5.794
   
  No H/Q in entry =         568
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  -3.022 -12.747   8.810
    2   2H    MET   1          3HT       MET   1  -1.928 -13.441   9.904
    3   3H    MET   1          2HT       MET   1  -1.578 -11.938   9.194
    4    HA   MET   1           HA       MET   1  -0.278 -13.680   8.132
    5   1HB   MET   1          2HB       MET   1  -2.930 -14.918   8.368
    6   2HB   MET   1          1HB       MET   1  -2.197 -15.171   6.785
    7   1HG   MET   1          2HG       MET   1  -0.687 -15.656   9.359
    8   2HG   MET   1          1HG       MET   1  -1.635 -16.916   8.567
    9   1HE   MET   1          3HE       MET   1   0.239 -18.106   8.867
   10   2HE   MET   1          2HE       MET   1   0.992 -18.607   7.354
   11   3HE   MET   1          1HE       MET   1   1.897 -17.614   8.493
   12    QB   MET   1           QB       MET   1  -2.564 -15.044   7.576
   13    QG   MET   1           QG       MET   1  -1.161 -16.286   8.963
   14    QE   MET   1           QE       MET   1   1.043 -18.109   8.238
   15    H    THR   2           H        THR   2  -2.570 -11.336   7.463
   16    HA   THR   2           HA       THR   2  -2.196 -11.490   4.503
   17    HB   THR   2           HB       THR   2  -4.034  -9.792   6.223
   18    HG1  THR   2          1HG       THR   2  -5.460 -11.365   6.031
   19   1HG2  THR   2          2HG2      THR   2  -3.569 -10.094   3.295
   20   2HG2  THR   2          1HG2      THR   2  -5.240  -9.927   3.832
   21   3HG2  THR   2          3HG2      THR   2  -4.063  -8.671   4.214
   22    QG2  THR   2           QG2      THR   2  -4.291  -9.564   3.780
   23    H    THR   3           H        THR   3   0.041 -10.672   6.121
   24    HA   THR   3           HA       THR   3   0.270  -7.830   6.431
   25    HB   THR   3           HB       THR   3   2.506  -9.746   5.736
   26    HG1  THR   3          1HG       THR   3   1.302  -9.367   8.272
   27   1HG2  THR   3          1HG2      THR   3   2.624  -7.116   6.254
   28   2HG2  THR   3          3HG2      THR   3   2.627  -7.718   7.913
   29   3HG2  THR   3          2HG2      THR   3   3.882  -8.235   6.786
   30    QG2  THR   3           QG2      THR   3   3.044  -7.690   6.985
   31    H    PHE   4           H        PHE   4  -0.678  -6.984   4.434
   32    HA   PHE   4           HA       PHE   4   0.429  -7.571   1.819
   33   1HB   PHE   4          2HB       PHE   4  -1.483  -5.678   3.094
   34   2HB   PHE   4          1HB       PHE   4  -0.794  -5.163   1.553
   35    HD1  PHE   4          1HD       PHE   4  -0.827  -6.897  -0.383
   36    HD2  PHE   4          2HD       PHE   4  -3.289  -7.185   3.122
   37    HE1  PHE   4          1HE       PHE   4  -2.359  -8.426  -1.588
   38    HE2  PHE   4          2HE       PHE   4  -4.825  -8.713   1.913
   39   1HZ   PHE   4           HZ       PHE   4  -4.359  -9.334  -0.440
   40    QB   PHE   4           QB       PHE   4  -1.138  -5.421   2.323
   41    QG   PHE   4           QD       PHE   4  -2.058  -7.041   1.370
   42    QZ   PHE   4           QE       PHE   4  -3.592  -8.569   0.162
   43    QZ   PHE   4           QR       PHE   4  -3.132  -8.111   0.525
   44    H    LYS   5           H        LYS   5   2.079  -6.486   0.721
   45    HA   LYS   5           HA       LYS   5   3.687  -4.555   2.335
   46   1HB   LYS   5          2HB       LYS   5   4.242  -6.431   0.028
   47   2HB   LYS   5          1HB       LYS   5   5.414  -5.218   0.545
   48   1HG   LYS   5          2HG       LYS   5   5.905  -6.322   2.488
   49   2HG   LYS   5          1HG       LYS   5   4.249  -6.894   2.701
   50   1HD   LYS   5          2HD       LYS   5   5.754  -7.997   0.382
   51   2HD   LYS   5          1HD       LYS   5   6.258  -8.537   1.983
   52   1HE   LYS   5          2HE       LYS   5   3.712  -8.940   2.404
   53   2HE   LYS   5          1HE       LYS   5   3.584  -8.893   0.634
   54   1HZ   LYS   5          1HZ       LYS   5   5.597 -10.527   2.075
   55   2HZ   LYS   5          3HZ       LYS   5   4.091 -11.140   1.590
   56   3HZ   LYS   5          2HZ       LYS   5   5.199 -10.591   0.424
   57    QB   LYS   5           QB       LYS   5   4.828  -5.824   0.287
   58    QG   LYS   5           QG       LYS   5   5.077  -6.608   2.595
   59    QD   LYS   5           QD       LYS   5   6.006  -8.267   1.182
   60    QE   LYS   5           QE       LYS   5   3.648  -8.917   1.519
   61    QZ   LYS   5           QZ       LYS   5   4.962 -10.753   1.363
   62    H    LEU   6           H        LEU   6   4.789  -2.814   0.989
   63    HA   LEU   6           HA       LEU   6   3.185  -1.951  -1.378
   64   1HB   LEU   6          2HB       LEU   6   2.201  -0.936   0.633
   65   2HB   LEU   6          1HB       LEU   6   3.783  -0.337   1.127
   66    HG   LEU   6           HG       LEU   6   3.822   0.886  -1.154
   67   1HD1  LEU   6          2HD1      LEU   6   1.036  -0.180  -1.023
   68   2HD1  LEU   6          1HD1      LEU   6   1.263   1.449  -1.659
   69   3HD1  LEU   6          3HD1      LEU   6   2.073   0.083  -2.426
   70   1HD2  LEU   6          3HD2      LEU   6   3.287   1.800   1.246
   71   2HD2  LEU   6          2HD2      LEU   6   2.909   2.801  -0.156
   72   3HD2  LEU   6          1HD2      LEU   6   1.633   1.894   0.646
   73    QB   LEU   6           QB       LEU   6   2.992  -0.637   0.880
   74    QD1  LEU   6           QD1      LEU   6   1.457   0.451  -1.703
   75    QD2  LEU   6           QD2      LEU   6   2.610   2.165   0.579
   76    QQD  LEU   6           QQD      LEU   6   2.034   1.308  -0.562
   77    H    ILE   7           H        ILE   7   4.864  -1.998  -2.876
   78    HA   ILE   7           HA       ILE   7   7.587  -1.155  -2.219
   79    HB   ILE   7           HB       ILE   7   6.142  -1.729  -4.838
   80   1HG1  ILE   7          2HG1      ILE   7   8.114  -3.509  -3.401
   81   2HG1  ILE   7          1HG1      ILE   7   6.389  -3.573  -3.036
   82   1HG2  ILE   7          2HG2      ILE   7   8.973  -1.037  -4.158
   83   2HG2  ILE   7          1HG2      ILE   7   8.693  -2.231  -5.424
   84   3HG2  ILE   7          3HG2      ILE   7   8.026  -0.606  -5.581
   85   1HD1  ILE   7          2HD1      ILE   7   7.206  -3.665  -5.908
   86   2HD1  ILE   7          1HD1      ILE   7   7.464  -5.113  -4.934
   87   3HD1  ILE   7          3HD1      ILE   7   5.842  -4.442  -5.105
   88    QG1  ILE   7           QG1      ILE   7   7.252  -3.541  -3.219
   89    QG2  ILE   7           QG2      ILE   7   8.564  -1.291  -5.054
   90    QD1  ILE   7           QD1      ILE   7   6.837  -4.407  -5.316
   91    H    ILE   8           H        ILE   8   7.854   1.030  -1.828
   92    HA   ILE   8           HA       ILE   8   6.061   2.971  -3.092
   93    HB   ILE   8           HB       ILE   8   8.543   3.584  -1.491
   94   1HG1  ILE   8          2HG1      ILE   8   7.046   1.853  -0.308
   95   2HG1  ILE   8          1HG1      ILE   8   7.360   3.334   0.575
   96   1HG2  ILE   8          1HG2      ILE   8   6.037   4.982  -2.322
   97   2HG2  ILE   8          3HG2      ILE   8   6.733   5.407  -0.757
   98   3HG2  ILE   8          2HG2      ILE   8   7.693   5.596  -2.224
   99   1HD1  ILE   8          1HD1      ILE   8   5.168   4.222  -0.162
  100   2HD1  ILE   8          3HD1      ILE   8   4.858   2.707  -1.015
  101   3HD1  ILE   8          2HD1      ILE   8   4.994   2.716   0.742
  102    QG1  ILE   8           QG1      ILE   8   7.203   2.593   0.134
  103    QG2  ILE   8           QG2      ILE   8   6.821   5.328  -1.768
  104    QD1  ILE   8           QD1      ILE   8   5.007   3.215  -0.145
  105    H    ASN   9           H        ASN   9   6.478   3.544  -5.198
  106    HA   ASN   9           HA       ASN   9   9.287   3.546  -6.189
  107   1HB   ASN   9          2HB       ASN   9   7.433   2.354  -7.379
  108   2HB   ASN   9          1HB       ASN   9   6.632   3.906  -7.620
  109   1HD2  ASN   9          2HD2      ASN   9   8.619   4.753 -10.398
  110   2HD2  ASN   9          1HD2      ASN   9   7.266   5.109  -9.437
  111    QB   ASN   9           QB       ASN   9   7.032   3.130  -7.499
  112    QD2  ASN   9           QD2      ASN   9   7.942   4.931  -9.917
  113    H    GLY  10           H        GLY  10  10.107   5.451  -7.315
  114   1HA   GLY  10          2HA       GLY  10   9.702   7.799  -8.056
  115   2HA   GLY  10          1HA       GLY  10   8.663   7.987  -6.644
  116    QA   GLY  10           QA       GLY  10   9.182   7.893  -7.350
  117    H    LYS  11           H        LYS  11   9.771   9.561  -5.507
  118    HA   LYS  11           HA       LYS  11  12.566   8.878  -4.652
  119   1HB   LYS  11          2HB       LYS  11  13.008  11.330  -4.773
  120   2HB   LYS  11          1HB       LYS  11  12.550  10.664  -6.339
  121   1HG   LYS  11          2HG       LYS  11  10.411  11.628  -6.269
  122   2HG   LYS  11          1HG       LYS  11  10.447  11.817  -4.516
  123   1HD   LYS  11          2HD       LYS  11  12.528  13.262  -6.093
  124   2HD   LYS  11          1HD       LYS  11  10.879  13.885  -6.158
  125   1HE   LYS  11          2HE       LYS  11  10.822  14.342  -3.850
  126   2HE   LYS  11          1HE       LYS  11  12.145  13.211  -3.501
  127   1HZ   LYS  11          2HZ       LYS  11  12.440  15.635  -5.192
  128   2HZ   LYS  11          1HZ       LYS  11  12.843  15.585  -3.543
  129   3HZ   LYS  11          3HZ       LYS  11  13.679  14.607  -4.649
  130    QB   LYS  11           QB       LYS  11  12.779  10.997  -5.556
  131    QG   LYS  11           QG       LYS  11  10.429  11.723  -5.393
  132    QD   LYS  11           QD       LYS  11  11.704  13.574  -6.125
  133    QE   LYS  11           QE       LYS  11  11.484  13.776  -3.675
  134    QZ   LYS  11           QZ       LYS  11  12.987  15.276  -4.461
  135    H    THR  12           H        THR  12   9.889   8.456  -3.343
  136    HA   THR  12           HA       THR  12  10.458   9.941  -0.802
  137    HB   THR  12           HB       THR  12   7.909  10.088  -0.625
  138    HG1  THR  12          1HG       THR  12   6.794   9.825  -2.547
  139   1HG2  THR  12          3HG2      THR  12   9.684  11.841  -1.603
  140   2HG2  THR  12          2HG2      THR  12   8.725  11.594  -3.063
  141   3HG2  THR  12          1HG2      THR  12   7.953  12.174  -1.588
  142    QG2  THR  12           QG2      THR  12   8.787  11.870  -2.085
  143    H    LEU  13           H        LEU  13  10.085   8.707   1.063
  144    HA   LEU  13           HA       LEU  13   9.787   6.784   2.383
  145   1HB   LEU  13          2HB       LEU  13   7.694   6.747   0.300
  146   2HB   LEU  13          1HB       LEU  13   8.031   5.167   1.001
  147    HG   LEU  13           HG       LEU  13   7.385   7.685   2.558
  148   1HD1  LEU  13          3HD1      LEU  13   5.748   5.484   1.417
  149   2HD1  LEU  13          2HD1      LEU  13   5.404   5.878   3.103
  150   3HD1  LEU  13          1HD1      LEU  13   5.277   7.124   1.865
  151   1HD2  LEU  13          3HD2      LEU  13   8.160   4.882   3.325
  152   2HD2  LEU  13          2HD2      LEU  13   8.666   6.410   4.043
  153   3HD2  LEU  13          1HD2      LEU  13   7.049   5.779   4.361
  154    QB   LEU  13           QB       LEU  13   7.863   5.957   0.651
  155    QD1  LEU  13           QD1      LEU  13   5.477   6.162   2.128
  156    QD2  LEU  13           QD2      LEU  13   7.958   5.690   3.910
  157    QQD  LEU  13           QQD      LEU  13   6.717   5.926   3.019
  158    H    LYS  14           H        LYS  14   9.341   5.231  -0.792
  159    HA   LYS  14           HA       LYS  14  10.521   3.467  -1.825
  160   1HB   LYS  14          2HB       LYS  14  12.575   5.259  -0.566
  161   2HB   LYS  14          1HB       LYS  14  13.108   3.748  -1.302
  162   1HG   LYS  14          2HG       LYS  14  12.204   4.362  -3.433
  163   2HG   LYS  14          1HG       LYS  14  11.333   5.731  -2.741
  164   1HD   LYS  14          2HD       LYS  14  13.217   6.759  -3.688
  165   2HD   LYS  14          1HD       LYS  14  13.700   6.551  -2.004
  166   1HE   LYS  14          2HE       LYS  14  15.240   4.905  -2.508
  167   2HE   LYS  14          1HE       LYS  14  14.295   4.300  -3.884
  168   1HZ   LYS  14          2HZ       LYS  14  15.589   6.972  -3.833
  169   2HZ   LYS  14          1HZ       LYS  14  16.321   5.599  -4.516
  170   3HZ   LYS  14          3HZ       LYS  14  14.873   6.197  -5.164
  171    QB   LYS  14           QB       LYS  14  12.841   4.504  -0.934
  172    QG   LYS  14           QG       LYS  14  11.769   5.047  -3.087
  173    QD   LYS  14           QD       LYS  14  13.459   6.655  -2.846
  174    QE   LYS  14           QE       LYS  14  14.768   4.602  -3.196
  175    QZ   LYS  14           QZ       LYS  14  15.594   6.256  -4.504
  176    H    GLY  15           H        GLY  15   9.778   1.604  -0.759
  177   1HA   GLY  15          2HA       GLY  15  11.367  -0.162   0.539
  178   2HA   GLY  15          1HA       GLY  15  10.883   0.880   1.876
  179    QA   GLY  15           QA       GLY  15  11.125   0.359   1.207
  180    H    GLU  16           H        GLU  16  10.012  -1.419   2.456
  181    HA   GLU  16           HA       GLU  16   7.136  -1.541   1.613
  182   1HB   GLU  16          2HB       GLU  16   9.336  -3.510   1.376
  183   2HB   GLU  16          1HB       GLU  16   7.839  -4.159   2.045
  184   1HG   GLU  16          2HG       GLU  16   6.620  -3.090   0.097
  185   2HG   GLU  16          1HG       GLU  16   8.200  -2.742  -0.605
  186    QB   GLU  16           QB       GLU  16   8.588  -3.834   1.710
  187    QG   GLU  16           QG       GLU  16   7.410  -2.916  -0.254
  188    H    ILE  17           H        ILE  17   6.724  -0.468   3.699
  189    HA   ILE  17           HA       ILE  17   7.652  -1.367   6.231
  190    HB   ILE  17           HB       ILE  17   6.532   0.780   5.781
  191   1HG1  ILE  17          2HG1      ILE  17   4.892  -0.884   7.714
  192   2HG1  ILE  17          1HG1      ILE  17   6.489  -0.235   8.083
  193   1HG2  ILE  17          3HG2      ILE  17   4.143  -1.000   5.257
  194   2HG2  ILE  17          2HG2      ILE  17   3.996   0.727   5.579
  195   3HG2  ILE  17          1HG2      ILE  17   4.880   0.166   4.159
  196   1HD1  ILE  17          3HD1      ILE  17   5.468   2.051   7.360
  197   2HD1  ILE  17          2HD1      ILE  17   3.916   1.253   7.608
  198   3HD1  ILE  17          1HD1      ILE  17   5.051   1.408   8.948
  199    QG1  ILE  17           QG1      ILE  17   5.691  -0.560   7.899
  200    QG2  ILE  17           QG2      ILE  17   4.340  -0.036   4.998
  201    QD1  ILE  17           QD1      ILE  17   4.811   1.571   7.972
  202    H    THR  18           H        THR  18   5.160  -2.659   4.136
  203    HA   THR  18           HA       THR  18   3.816  -4.579   4.286
  204    HB   THR  18           HB       THR  18   4.786  -6.448   5.321
  205    HG1  THR  18          1HG       THR  18   6.111  -6.270   7.155
  206   1HG2  THR  18          2HG2      THR  18   6.461  -4.778   3.929
  207   2HG2  THR  18          1HG2      THR  18   7.374  -5.054   5.413
  208   3HG2  THR  18          3HG2      THR  18   6.862  -6.422   4.425
  209    QG2  THR  18           QG2      THR  18   6.899  -5.418   4.589
  210    H    ILE  19           H        ILE  19   1.801  -4.660   5.119
  211    HA   ILE  19           HA       ILE  19   1.414  -4.183   8.042
  212    HB   ILE  19           HB       ILE  19  -0.382  -2.559   7.507
  213   1HG1  ILE  19          2HG1      ILE  19  -0.028  -1.725   4.950
  214   2HG1  ILE  19          1HG1      ILE  19   0.283  -3.449   4.748
  215   1HG2  ILE  19          1HG2      ILE  19   1.958  -1.793   7.889
  216   2HG2  ILE  19          3HG2      ILE  19   2.241  -1.872   6.150
  217   3HG2  ILE  19          2HG2      ILE  19   1.069  -0.727   6.801
  218   1HD1  ILE  19          3HD1      ILE  19  -1.916  -3.627   6.268
  219   2HD1  ILE  19          2HD1      ILE  19  -2.234  -2.054   5.536
  220   3HD1  ILE  19          1HD1      ILE  19  -2.010  -3.474   4.513
  221    QG1  ILE  19           QG1      ILE  19   0.127  -2.587   4.849
  222    QG2  ILE  19           QG2      ILE  19   1.756  -1.464   6.947
  223    QD1  ILE  19           QD1      ILE  19  -2.053  -3.052   5.439
  224    H    GLU  20           H        GLU  20  -0.396  -5.254   8.899
  225    HA   GLU  20           HA       GLU  20  -1.499  -7.450   7.291
  226   1HB   GLU  20          2HB       GLU  20  -1.391  -6.534  10.115
  227   2HB   GLU  20          1HB       GLU  20  -2.806  -7.494   9.680
  228   1HG   GLU  20          2HG       GLU  20  -1.184  -9.160   8.625
  229   2HG   GLU  20          1HG       GLU  20   0.106  -8.273   9.438
  230    QB   GLU  20           QB       GLU  20  -2.098  -7.014   9.898
  231    QG   GLU  20           QG       GLU  20  -0.539  -8.716   9.032
  232    H    ALA  21           H        ALA  21  -3.777  -7.717   6.858
  233    HA   ALA  21           HA       ALA  21  -5.720  -5.641   7.505
  234   1HB   ALA  21          2HB       ALA  21  -4.491  -5.838   4.737
  235   2HB   ALA  21          1HB       ALA  21  -5.964  -4.932   5.090
  236   3HB   ALA  21          3HB       ALA  21  -4.433  -4.451   5.825
  237    QB   ALA  21           QB       ALA  21  -4.963  -5.074   5.217
  238    H    VAL  22           H        VAL  22  -7.855  -6.191   6.645
  239    HA   VAL  22           HA       VAL  22  -8.554  -8.910   6.673
  240    HB   VAL  22           HB       VAL  22 -10.091  -7.013   7.009
  241   1HG1  VAL  22          2HG1      VAL  22  -8.966  -5.702   5.066
  242   2HG1  VAL  22          1HG1      VAL  22 -10.095  -6.568   4.026
  243   3HG1  VAL  22          3HG1      VAL  22 -10.703  -5.510   5.300
  244   1HG2  VAL  22          2HG2      VAL  22 -10.796  -8.835   4.689
  245   2HG2  VAL  22          1HG2      VAL  22 -11.139  -9.109   6.397
  246   3HG2  VAL  22          3HG2      VAL  22 -11.969  -7.819   5.527
  247    QG1  VAL  22           QG1      VAL  22  -9.921  -5.927   4.797
  248    QG2  VAL  22           QG2      VAL  22 -11.301  -8.588   5.538
  249    QQG  VAL  22           QQG      VAL  22 -10.611  -7.257   5.168
  250    H    ASP  23           H        ASP  23  -7.781  -6.823   3.915
  251    HA   ASP  23           HA       ASP  23  -7.070  -9.140   2.256
  252   1HB   ASP  23          2HB       ASP  23  -9.621  -7.593   2.015
  253   2HB   ASP  23          1HB       ASP  23  -8.822  -8.082   0.521
  254    QB   ASP  23           QB       ASP  23  -9.221  -7.838   1.268
  255    H    ALA  24           H        ALA  24  -6.676  -8.097  -0.138
  256    HA   ALA  24           HA       ALA  24  -4.622  -6.114   0.191
  257   1HB   ALA  24          1HB       ALA  24  -5.276  -7.931  -1.691
  258   2HB   ALA  24          3HB       ALA  24  -5.963  -6.491  -2.445
  259   3HB   ALA  24          2HB       ALA  24  -4.247  -6.541  -2.040
  260    QB   ALA  24           QB       ALA  24  -5.162  -6.988  -2.059
  261    H    ALA  25           H        ALA  25  -8.065  -5.912  -0.505
  262    HA   ALA  25           HA       ALA  25  -8.265  -3.322  -1.606
  263   1HB   ALA  25          3HB       ALA  25  -9.981  -5.148   0.028
  264   2HB   ALA  25          2HB       ALA  25 -10.531  -3.489  -0.203
  265   3HB   ALA  25          1HB       ALA  25 -10.248  -4.528  -1.601
  266    QB   ALA  25           QB       ALA  25 -10.253  -4.388  -0.592
  267    H    GLU  26           H        GLU  26  -8.452  -4.294   1.833
  268    HA   GLU  26           HA       GLU  26  -8.560  -1.614   2.889
  269   1HB   GLU  26          2HB       GLU  26  -8.139  -4.401   3.836
  270   2HB   GLU  26          1HB       GLU  26  -7.523  -3.132   4.897
  271   1HG   GLU  26          2HG       GLU  26  -9.947  -2.084   4.298
  272   2HG   GLU  26          1HG       GLU  26 -10.327  -3.803   4.184
  273    QB   GLU  26           QB       GLU  26  -7.831  -3.766   4.367
  274    QG   GLU  26           QG       GLU  26 -10.137  -2.944   4.241
  275    H    ALA  27           H        ALA  27  -5.889  -3.907   2.320
  276    HA   ALA  27           HA       ALA  27  -3.739  -2.462   3.463
  277   1HB   ALA  27          2HB       ALA  27  -4.161  -4.497   1.346
  278   2HB   ALA  27          1HB       ALA  27  -2.634  -3.616   1.245
  279   3HB   ALA  27          3HB       ALA  27  -3.043  -4.512   2.711
  280    QB   ALA  27           QB       ALA  27  -3.279  -4.208   1.767
  281    H    GLU  28           H        GLU  28  -5.058  -2.260   0.138
  282    HA   GLU  28           HA       GLU  28  -3.304  -0.262  -0.878
  283   1HB   GLU  28          2HB       GLU  28  -5.216  -1.762  -1.927
  284   2HB   GLU  28          1HB       GLU  28  -6.225  -0.356  -1.589
  285   1HG   GLU  28          2HG       GLU  28  -4.363   1.005  -2.780
  286   2HG   GLU  28          1HG       GLU  28  -3.826  -0.552  -3.415
  287    QB   GLU  28           QB       GLU  28  -5.721  -1.059  -1.758
  288    QG   GLU  28           QG       GLU  28  -4.094   0.227  -3.097
  289    H    LYS  29           H        LYS  29  -6.317   0.017   1.011
  290    HA   LYS  29           HA       LYS  29  -6.488   2.911   0.878
  291   1HB   LYS  29          2HB       LYS  29  -7.638   0.711   2.582
  292   2HB   LYS  29          1HB       LYS  29  -7.941   2.400   2.983
  293   1HG   LYS  29          2HG       LYS  29  -8.467   2.414   0.304
  294   2HG   LYS  29          1HG       LYS  29  -8.979   0.782   0.733
  295   1HD   LYS  29          2HD       LYS  29 -10.915   2.096   1.080
  296   2HD   LYS  29          1HD       LYS  29 -10.237   1.900   2.696
  297   1HE   LYS  29          2HE       LYS  29 -10.414   4.185   2.784
  298   2HE   LYS  29          1HE       LYS  29  -8.926   4.161   1.818
  299   1HZ   LYS  29          2HZ       LYS  29 -10.381   3.932  -0.178
  300   2HZ   LYS  29          1HZ       LYS  29 -11.720   4.249   0.819
  301   3HZ   LYS  29          3HZ       LYS  29 -10.519   5.428   0.614
  302    QB   LYS  29           QB       LYS  29  -7.789   1.555   2.783
  303    QG   LYS  29           QG       LYS  29  -8.723   1.598   0.519
  304    QD   LYS  29           QD       LYS  29 -10.576   1.998   1.888
  305    QE   LYS  29           QE       LYS  29  -9.670   4.173   2.301
  306    QZ   LYS  29           QZ       LYS  29 -10.873   4.536   0.418
  307    H    ILE  30           H        ILE  30  -5.381   0.668   3.443
  308    HA   ILE  30           HA       ILE  30  -4.427   2.614   5.292
  309    HB   ILE  30           HB       ILE  30  -3.443  -0.197   4.662
  310   1HG1  ILE  30          2HG1      ILE  30  -5.265   0.503   6.937
  311   2HG1  ILE  30          1HG1      ILE  30  -5.954   0.375   5.319
  312   1HG2  ILE  30          3HG2      ILE  30  -1.915   1.232   6.095
  313   2HG2  ILE  30          2HG2      ILE  30  -3.232   1.346   7.263
  314   3HG2  ILE  30          1HG2      ILE  30  -2.518  -0.223   6.890
  315   1HD1  ILE  30          1HD1      ILE  30  -4.111  -1.816   6.088
  316   2HD1  ILE  30          3HD1      ILE  30  -5.630  -1.752   6.982
  317   3HD1  ILE  30          2HD1      ILE  30  -5.647  -1.886   5.224
  318    QG1  ILE  30           QG1      ILE  30  -5.610   0.439   6.128
  319    QG2  ILE  30           QG2      ILE  30  -2.555   0.785   6.749
  320    QD1  ILE  30           QD1      ILE  30  -5.130  -1.818   6.098
  321    H    PHE  31           H        PHE  31  -2.959   1.138   2.443
  322    HA   PHE  31           HA       PHE  31  -0.325   2.342   2.844
  323   1HB   PHE  31          2HB       PHE  31  -1.785   0.756   0.747
  324   2HB   PHE  31          1HB       PHE  31  -0.288   1.570   0.300
  325    HD1  PHE  31          1HD       PHE  31   1.427   1.357   2.599
  326    HD2  PHE  31          2HD       PHE  31  -1.378  -1.511   1.064
  327    HE1  PHE  31          1HE       PHE  31   2.733  -0.474   3.642
  328    HE2  PHE  31          2HE       PHE  31  -0.069  -3.345   2.108
  329   1HZ   PHE  31           HZ       PHE  31   1.986  -2.823   3.397
  330    QB   PHE  31           QB       PHE  31  -1.037   1.163   0.524
  331    QG   PHE  31           QD       PHE  31   0.024  -0.077   1.831
  332    QZ   PHE  31           QE       PHE  31   1.332  -1.909   2.875
  333    QZ   PHE  31           QR       PHE  31   0.940  -1.359   2.562
  334    H    LYS  32           H        LYS  32  -3.257   3.051   0.990
  335    HA   LYS  32           HA       LYS  32  -2.157   5.293  -0.452
  336   1HB   LYS  32          2HB       LYS  32  -4.863   4.109   0.042
  337   2HB   LYS  32          1HB       LYS  32  -4.726   5.676  -0.753
  338   1HG   LYS  32          2HG       LYS  32  -3.330   4.751  -2.494
  339   2HG   LYS  32          1HG       LYS  32  -3.241   3.199  -1.662
  340   1HD   LYS  32          2HD       LYS  32  -5.406   2.612  -2.236
  341   2HD   LYS  32          1HD       LYS  32  -5.948   4.288  -2.324
  342   1HE   LYS  32          2HE       LYS  32  -4.288   4.435  -4.363
  343   2HE   LYS  32          1HE       LYS  32  -4.481   2.672  -4.392
  344   1HZ   LYS  32          3HZ       LYS  32  -6.914   3.039  -4.269
  345   2HZ   LYS  32          2HZ       LYS  32  -6.645   4.706  -4.457
  346   3HZ   LYS  32          1HZ       LYS  32  -6.223   3.629  -5.701
  347    QB   LYS  32           QB       LYS  32  -4.795   4.892  -0.355
  348    QG   LYS  32           QG       LYS  32  -3.285   3.975  -2.078
  349    QD   LYS  32           QD       LYS  32  -5.677   3.450  -2.280
  350    QE   LYS  32           QE       LYS  32  -4.385   3.554  -4.378
  351    QZ   LYS  32           QZ       LYS  32  -6.594   3.792  -4.809
  352    H    GLN  33           H        GLN  33  -2.850   4.991   2.825
  353    HA   GLN  33           HA       GLN  33  -3.618   7.900   3.075
  354   1HB   GLN  33          2HB       GLN  33  -3.940   5.428   4.799
  355   2HB   GLN  33          1HB       GLN  33  -4.085   7.044   5.489
  356   1HG   GLN  33          2HG       GLN  33  -5.691   7.314   3.316
  357   2HG   GLN  33          1HG       GLN  33  -5.921   5.599   3.662
  358   1HE2  GLN  33          2HE2      GLN  33  -7.898   6.196   6.519
  359   2HE2  GLN  33          1HE2      GLN  33  -7.255   5.059   5.435
  360    QB   GLN  33           QB       GLN  33  -4.012   6.236   5.144
  361    QG   GLN  33           QG       GLN  33  -5.806   6.457   3.489
  362    QE2  GLN  33           QE2      GLN  33  -7.576   5.628   5.977
  363    H    TYR  34           H        TYR  34  -1.653   5.276   4.254
  364    HA   TYR  34           HA       TYR  34   0.255   6.518   5.909
  365   1HB   TYR  34          2HB       TYR  34   0.139   4.171   5.768
  366   2HB   TYR  34          1HB       TYR  34  -0.001   4.195   4.006
  367    HD1  TYR  34          1HD       TYR  34   2.437   5.061   6.755
  368    HD2  TYR  34          2HD       TYR  34   1.897   3.607   2.749
  369    HE1  TYR  34          1HE       TYR  34   4.872   4.622   6.586
  370    HE2  TYR  34          2HE       TYR  34   4.332   3.169   2.580
  371    HH   TYR  34           HH       TYR  34   6.395   3.829   3.587
  372    QB   TYR  34           QB       TYR  34   0.069   4.183   4.887
  373    QG   TYR  34           QD       TYR  34   2.167   4.334   4.752
  374    QZ   TYR  34           QE       TYR  34   4.602   3.895   4.583
  375    QR   TYR  34           QR       TYR  34   3.384   4.115   4.668
  376    H    ALA  35           H        ALA  35   0.018   6.306   2.384
  377    HA   ALA  35           HA       ALA  35   2.609   7.406   1.694
  378   1HB   ALA  35          1HB       ALA  35  -0.051   6.908   0.380
  379   2HB   ALA  35          3HB       ALA  35   1.137   7.906  -0.459
  380   3HB   ALA  35          2HB       ALA  35   1.532   6.243  -0.021
  381    QB   ALA  35           QB       ALA  35   0.873   7.019  -0.033
  382    H    ASN  36           H        ASN  36  -0.664   8.847   1.920
  383    HA   ASN  36           HA       ASN  36  -0.016  11.510   1.183
  384   1HB   ASN  36          2HB       ASN  36  -2.102  10.127   2.813
  385   2HB   ASN  36          1HB       ASN  36  -2.033  11.888   2.873
  386   1HD2  ASN  36          2HD2      ASN  36  -2.619  10.296  -0.878
  387   2HD2  ASN  36          1HD2      ASN  36  -1.484   9.574   0.156
  388    QB   ASN  36           QB       ASN  36  -2.068  11.008   2.843
  389    QD2  ASN  36           QD2      ASN  36  -2.051   9.935  -0.361
  390    H    ASP  37           H        ASP  37  -0.156  10.074   4.459
  391    HA   ASP  37           HA       ASP  37   0.576  12.342   5.965
  392   1HB   ASP  37          2HB       ASP  37  -0.189  10.002   6.683
  393   2HB   ASP  37          1HB       ASP  37   1.500   9.521   6.518
  394    QB   ASP  37           QB       ASP  37   0.655   9.762   6.600
  395    H    ASN  38           H        ASN  38   2.553  10.367   3.915
  396    HA   ASN  38           HA       ASN  38   5.033  11.559   4.975
  397   1HB   ASN  38          2HB       ASN  38   4.216   9.096   3.559
  398   2HB   ASN  38          1HB       ASN  38   5.783   9.750   3.080
  399   1HD2  ASN  38          2HD2      ASN  38   5.667   7.628   6.405
  400   2HD2  ASN  38          1HD2      ASN  38   4.572   7.503   5.115
  401    QB   ASN  38           QB       ASN  38   5.000   9.423   3.319
  402    QD2  ASN  38           QD2      ASN  38   5.120   7.565   5.760
  403    H    GLY  39           H        GLY  39   2.947  11.526   2.161
  404   1HA   GLY  39          2HA       GLY  39   2.986  13.490   0.660
  405   2HA   GLY  39          1HA       GLY  39   4.738  13.543   0.871
  406    QA   GLY  39           QA       GLY  39   3.862  13.516   0.766
  407    H    ILE  40           H        ILE  40   2.972  10.547   0.406
  408    HA   ILE  40           HA       ILE  40   4.503  10.063  -2.095
  409    HB   ILE  40           HB       ILE  40   3.183   8.501   0.085
  410   1HG1  ILE  40          2HG1      ILE  40   5.338   7.225  -0.128
  411   2HG1  ILE  40          1HG1      ILE  40   5.816   8.381  -1.375
  412   1HG2  ILE  40          3HG2      ILE  40   2.258   7.532  -2.065
  413   2HG2  ILE  40          2HG2      ILE  40   3.920   7.163  -2.521
  414   3HG2  ILE  40          1HG2      ILE  40   3.209   6.419  -1.086
  415   1HD1  ILE  40          3HD1      ILE  40   4.893   9.224   1.372
  416   2HD1  ILE  40          2HD1      ILE  40   6.595   8.939   0.981
  417   3HD1  ILE  40          1HD1      ILE  40   5.695  10.212   0.144
  418    QG1  ILE  40           QG1      ILE  40   5.577   7.803  -0.752
  419    QG2  ILE  40           QG2      ILE  40   3.129   7.038  -1.890
  420    QD1  ILE  40           QD1      ILE  40   5.728   9.458   0.832
  421    H    ASP  41           H        ASP  41   3.411  10.898  -3.814
  422    HA   ASP  41           HA       ASP  41   0.596  10.001  -4.263
  423   1HB   ASP  41          2HB       ASP  41   1.668  12.810  -4.072
  424   2HB   ASP  41          1HB       ASP  41   0.229  12.467  -5.035
  425    QB   ASP  41           QB       ASP  41   0.949  12.638  -4.553
  426    H    GLY  42           H        GLY  42   0.871   8.859  -6.147
  427   1HA   GLY  42          2HA       GLY  42   1.609  10.264  -8.580
  428   2HA   GLY  42          1HA       GLY  42   2.813   9.063  -8.119
  429    QA   GLY  42           QA       GLY  42   2.211   9.664  -8.349
  430    H    GLU  43           H        GLU  43   2.426   6.955  -8.688
  431    HA   GLU  43           HA       GLU  43  -0.256   6.322  -9.876
  432   1HB   GLU  43          2HB       GLU  43   2.296   6.133 -10.871
  433   2HB   GLU  43          1HB       GLU  43   2.037   4.496 -10.269
  434   1HG   GLU  43          2HG       GLU  43   1.075   4.217 -12.330
  435   2HG   GLU  43          1HG       GLU  43  -0.331   4.889 -11.503
  436    QB   GLU  43           QB       GLU  43   2.167   5.315 -10.570
  437    QG   GLU  43           QG       GLU  43   0.372   4.553 -11.917
  438    H    TRP  44           H        TRP  44  -0.696   3.806  -9.674
  439    HA   TRP  44           HA       TRP  44   0.173   2.592  -7.092
  440   1HB   TRP  44          2HB       TRP  44  -2.541   3.754  -7.715
  441   2HB   TRP  44          1HB       TRP  44  -2.433   2.320  -6.689
  442    HD1  TRP  44           HD       TRP  44  -1.549   6.025  -6.759
  443    HE1  TRP  44          1HE       TRP  44  -0.890   6.748  -4.375
  444    HE3  TRP  44          3HE       TRP  44  -1.483   1.473  -4.481
  445    HZ2  TRP  44          2HZ       TRP  44  -0.394   5.542  -1.828
  446    HZ3  TRP  44          3HZ       TRP  44  -0.912   1.285  -2.066
  447    HH2  TRP  44           HH       TRP  44  -0.364   3.315  -0.749
  448    QB   TRP  44           QB       TRP  44  -2.487   3.037  -7.202
  449    H    THR  45           H        THR  45   0.322   0.417  -7.424
  450    HA   THR  45           HA       THR  45  -1.534  -0.901  -9.351
  451    HB   THR  45           HB       THR  45   0.239  -1.861 -10.616
  452    HG1  THR  45          1HG       THR  45   2.343  -1.838  -9.942
  453   1HG2  THR  45          1HG2      THR  45  -0.129   0.539 -11.110
  454   2HG2  THR  45          3HG2      THR  45   1.138   0.950  -9.953
  455   3HG2  THR  45          2HG2      THR  45   1.539   0.050 -11.419
  456    QG2  THR  45           QG2      THR  45   0.849   0.513 -10.827
  457    H    TYR  46           H        TYR  46  -2.207  -2.824  -8.534
  458    HA   TYR  46           HA       TYR  46  -0.923  -3.805  -6.035
  459   1HB   TYR  46          2HB       TYR  46  -3.299  -3.395  -5.935
  460   2HB   TYR  46          1HB       TYR  46  -3.578  -4.327  -7.409
  461    HD1  TYR  46          2HD       TYR  46  -1.689  -4.894  -4.210
  462    HD2  TYR  46          1HD       TYR  46  -4.591  -6.390  -6.999
  463    HE1  TYR  46          2HE       TYR  46  -1.909  -6.965  -2.869
  464    HE2  TYR  46          1HE       TYR  46  -4.804  -8.467  -5.662
  465    HH   TYR  46           HH       TYR  46  -3.543  -9.746  -4.042
  466    QB   TYR  46           QB       TYR  46  -3.439  -3.861  -6.672
  467    QG   TYR  46           QD       TYR  46  -3.140  -5.642  -5.605
  468    QZ   TYR  46           QE       TYR  46  -3.357  -7.716  -4.265
  469    QR   TYR  46           QR       TYR  46  -3.248  -6.679  -4.935
  470    H    ASP  47           H        ASP  47  -0.170  -5.957  -5.864
  471    HA   ASP  47           HA       ASP  47   0.139  -7.436  -8.457
  472   1HB   ASP  47          2HB       ASP  47   2.124  -6.308  -7.113
  473   2HB   ASP  47          1HB       ASP  47   1.977  -7.746  -6.101
  474    QB   ASP  47           QB       ASP  47   2.051  -7.027  -6.607
  475    H    ASP  48           H        ASP  48  -1.610  -8.871  -8.223
  476    HA   ASP  48           HA       ASP  48  -2.316 -10.186  -5.752
  477   1HB   ASP  48          2HB       ASP  48  -3.753 -11.533  -7.274
  478   2HB   ASP  48          1HB       ASP  48  -3.875  -9.805  -7.607
  479    QB   ASP  48           QB       ASP  48  -3.814 -10.669  -7.441
  480    H    ALA  49           H        ALA  49   0.355 -10.695  -7.763
  481    HA   ALA  49           HA       ALA  49   0.503 -13.618  -7.370
  482   1HB   ALA  49          2HB       ALA  49   2.359 -11.575  -8.642
  483   2HB   ALA  49          1HB       ALA  49   2.559 -13.324  -8.737
  484   3HB   ALA  49          3HB       ALA  49   1.167 -12.554  -9.499
  485    QB   ALA  49           QB       ALA  49   2.028 -12.484  -8.959
  486    H    THR  50           H        THR  50   1.808 -10.623  -6.059
  487    HA   THR  50           HA       THR  50   3.382 -12.231  -4.075
  488    HB   THR  50           HB       THR  50   5.007 -10.350  -4.142
  489    HG1  THR  50          1HG       THR  50   4.231  -8.568  -4.904
  490   1HG2  THR  50          2HG2      THR  50   4.849 -12.383  -5.865
  491   2HG2  THR  50          1HG2      THR  50   4.619 -11.063  -7.012
  492   3HG2  THR  50          3HG2      THR  50   6.080 -11.130  -6.025
  493    QG2  THR  50           QG2      THR  50   5.182 -11.526  -6.301
  494    H    LYS  51           H        LYS  51   0.638 -10.470  -4.374
  495    HA   LYS  51           HA       LYS  51  -0.665  -9.168  -2.900
  496   1HB   LYS  51          2HB       LYS  51   1.270 -10.487  -0.963
  497   2HB   LYS  51          1HB       LYS  51  -0.250  -9.720  -0.504
  498   1HG   LYS  51          2HG       LYS  51  -0.417 -11.748  -2.668
  499   2HG   LYS  51          1HG       LYS  51  -0.043 -12.362  -1.058
  500   1HD   LYS  51          2HD       LYS  51  -2.022 -10.808  -0.307
  501   2HD   LYS  51          1HD       LYS  51  -2.496 -10.909  -2.002
  502   1HE   LYS  51          2HE       LYS  51  -3.634 -12.740  -1.033
  503   2HE   LYS  51          1HE       LYS  51  -2.157 -13.498  -1.663
  504   1HZ   LYS  51          2HZ       LYS  51  -2.459 -12.403   1.084
  505   2HZ   LYS  51          1HZ       LYS  51  -2.561 -14.053   0.689
  506   3HZ   LYS  51          3HZ       LYS  51  -1.103 -13.217   0.466
  507    QB   LYS  51           QB       LYS  51   0.510 -10.104  -0.734
  508    QG   LYS  51           QG       LYS  51  -0.230 -12.055  -1.863
  509    QD   LYS  51           QD       LYS  51  -2.259 -10.858  -1.155
  510    QE   LYS  51           QE       LYS  51  -2.895 -13.119  -1.348
  511    QZ   LYS  51           QZ       LYS  51  -2.041 -13.224   0.747
  512    H    THR  52           H        THR  52   1.540  -7.812  -4.159
  513    HA   THR  52           HA       THR  52   2.255  -5.840  -2.003
  514    HB   THR  52           HB       THR  52   3.946  -6.487  -4.420
  515    HG1  THR  52          1HG       THR  52   5.053  -7.931  -3.037
  516   1HG2  THR  52          2HG2      THR  52   4.455  -4.436  -3.150
  517   2HG2  THR  52          1HG2      THR  52   4.573  -5.384  -1.668
  518   3HG2  THR  52          3HG2      THR  52   5.741  -5.628  -2.966
  519    QG2  THR  52           QG2      THR  52   4.923  -5.149  -2.594
  520    H    PHE  53           H        PHE  53   2.032  -3.663  -2.564
  521    HA   PHE  53           HA       PHE  53   0.642  -3.097  -5.129
  522   1HB   PHE  53          2HB       PHE  53   1.009  -1.629  -2.511
  523   2HB   PHE  53          1HB       PHE  53   0.178  -0.915  -3.893
  524    HD1  PHE  53          2HD       PHE  53   0.126  -3.765  -1.497
  525    HD2  PHE  53          1HD       PHE  53  -2.080  -1.511  -4.423
  526    HE1  PHE  53          2HE       PHE  53  -1.961  -4.943  -0.833
  527    HE2  PHE  53          1HE       PHE  53  -4.155  -2.692  -3.758
  528   1HZ   PHE  53           HZ       PHE  53  -4.096  -4.406  -1.969
  529    QB   PHE  53           QB       PHE  53   0.593  -1.272  -3.202
  530    QG   PHE  53           QD       PHE  53  -0.977  -2.638  -2.960
  531    QZ   PHE  53           QE       PHE  53  -3.058  -3.817  -2.295
  532    QZ   PHE  53           QR       PHE  53  -2.433  -3.463  -2.496
  533    H    THR  54           H        THR  54   1.310  -0.437  -5.616
  534    HA   THR  54           HA       THR  54   4.227  -0.078  -5.437
  535    HB   THR  54           HB       THR  54   3.064  -0.088  -8.204
  536    HG1  THR  54          1HG       THR  54   2.545  -2.109  -7.912
  537   1HG2  THR  54          1HG2      THR  54   5.726  -0.398  -6.880
  538   2HG2  THR  54          3HG2      THR  54   5.486  -1.135  -8.463
  539   3HG2  THR  54          2HG2      THR  54   5.269   0.603  -8.258
  540    QG2  THR  54           QG2      THR  54   5.494  -0.310  -7.867
  541    H    VAL  55           H        VAL  55   3.690   1.871  -4.432
  542    HA   VAL  55           HA       VAL  55   1.917   3.733  -5.888
  543    HB   VAL  55           HB       VAL  55   1.378   3.435  -3.582
  544   1HG1  VAL  55          1HG1      VAL  55   4.318   3.953  -3.055
  545   2HG1  VAL  55          3HG1      VAL  55   3.086   4.035  -1.795
  546   3HG1  VAL  55          2HG1      VAL  55   3.367   2.519  -2.648
  547   1HG2  VAL  55          3HG2      VAL  55   1.265   5.765  -4.418
  548   2HG2  VAL  55          2HG2      VAL  55   1.610   5.703  -2.689
  549   3HG2  VAL  55          1HG2      VAL  55   2.906   6.040  -3.836
  550    QG1  VAL  55           QG1      VAL  55   3.590   3.502  -2.499
  551    QG2  VAL  55           QG2      VAL  55   1.927   5.836  -3.648
  552    QQG  VAL  55           QQG      VAL  55   2.759   4.669  -3.073
  553    H    THR  56           H        THR  56   3.020   4.722  -7.485
  554    HA   THR  56           HA       THR  56   5.790   5.646  -7.161
  555    HB   THR  56           HB       THR  56   3.656   5.515  -9.276
  556    HG1  THR  56          1HG       THR  56   5.015   4.132 -10.086
  557   1HG2  THR  56          2HG2      THR  56   6.101   7.299  -9.432
  558   2HG2  THR  56          1HG2      THR  56   5.209   6.746 -10.850
  559   3HG2  THR  56          3HG2      THR  56   4.413   7.767  -9.652
  560    QG2  THR  56           QG2      THR  56   5.241   7.271  -9.978
  561    H    GLU  57           H        GLU  57   6.243   8.040  -7.588
  562    HA   GLU  57           HA       GLU  57   4.083   9.772  -6.426
  563   1HB   GLU  57          2HB       GLU  57   5.998   9.127  -4.900
  564   2HB   GLU  57          1HB       GLU  57   7.080   9.985  -5.996
  565   1HG   GLU  57          2HG       GLU  57   4.781  11.634  -5.306
  566   2HG   GLU  57          1HG       GLU  57   5.625  11.094  -3.857
  567    QB   GLU  57           QB       GLU  57   6.539   9.556  -5.448
  568    QG   GLU  57           QG       GLU  57   5.203  11.364  -4.582
   
  No H/Q in entry =         568
  Start of MODEL    6
    1   1H    MET   1          3HT       MET   1  -1.142 -13.062   8.541
    2   2H    MET   1          2HT       MET   1  -1.463 -14.453   9.462
    3   3H    MET   1          1HT       MET   1  -0.777 -14.595   7.915
    4    HA   MET   1           HA       MET   1  -3.115 -15.166   7.804
    5   1HB   MET   1          2HB       MET   1  -3.127 -12.752   9.512
    6   2HB   MET   1          1HB       MET   1  -4.453 -12.832   8.353
    7   1HG   MET   1          2HG       MET   1  -5.240 -14.892   9.224
    8   2HG   MET   1          1HG       MET   1  -3.735 -15.192  10.095
    9   1HE   MET   1          3HE       MET   1  -6.890 -14.966  10.391
   10   2HE   MET   1          2HE       MET   1  -6.512 -15.359  12.066
   11   3HE   MET   1          1HE       MET   1  -7.445 -13.911  11.698
   12    QB   MET   1           QB       MET   1  -3.790 -12.792   8.932
   13    QG   MET   1           QG       MET   1  -4.488 -15.042   9.659
   14    QE   MET   1           QE       MET   1  -6.949 -14.745  11.385
   15    H    THR   2           H        THR   2  -2.167 -11.736   7.328
   16    HA   THR   2           HA       THR   2  -2.534 -12.119   4.382
   17    HB   THR   2           HB       THR   2  -3.601  -9.858   6.109
   18    HG1  THR   2          1HG       THR   2  -4.881 -11.954   4.695
   19   1HG2  THR   2          2HG2      THR   2  -3.316 -10.268   3.177
   20   2HG2  THR   2          1HG2      THR   2  -4.840  -9.576   3.737
   21   3HG2  THR   2          3HG2      THR   2  -3.317  -8.770   4.109
   22    QG2  THR   2           QG2      THR   2  -3.824  -9.538   3.674
   23    H    THR   3           H        THR   3  -1.751  -9.328   6.491
   24    HA   THR   3           HA       THR   3   0.057  -7.809   6.401
   25    HB   THR   3           HB       THR   3   1.498 -10.392   5.736
   26    HG1  THR   3          1HG       THR   3   0.981 -10.962   7.669
   27   1HG2  THR   3          1HG2      THR   3   2.381  -7.672   6.254
   28   2HG2  THR   3          3HG2      THR   3   2.995  -8.779   7.484
   29   3HG2  THR   3          2HG2      THR   3   3.330  -9.083   5.781
   30    QG2  THR   3           QG2      THR   3   2.902  -8.511   6.506
   31    H    PHE   4           H        PHE   4  -0.699  -6.724   4.438
   32    HA   PHE   4           HA       PHE   4   0.366  -7.623   1.833
   33   1HB   PHE   4          2HB       PHE   4  -1.540  -5.603   2.921
   34   2HB   PHE   4          1HB       PHE   4  -0.777  -5.216   1.378
   35    HD1  PHE   4          1HD       PHE   4  -0.835  -7.010  -0.469
   36    HD2  PHE   4          2HD       PHE   4  -3.346  -7.116   3.010
   37    HE1  PHE   4          1HE       PHE   4  -2.365  -8.578  -1.625
   38    HE2  PHE   4          2HE       PHE   4  -4.881  -8.684   1.854
   39   1HZ   PHE   4           HZ       PHE   4  -4.391  -9.414  -0.464
   40    QB   PHE   4           QB       PHE   4  -1.158  -5.410   2.149
   41    QG   PHE   4           QD       PHE   4  -2.091  -7.063   1.271
   42    QZ   PHE   4           QE       PHE   4  -3.623  -8.631   0.114
   43    QZ   PHE   4           QR       PHE   4  -3.164  -8.161   0.461
   44    H    LYS   5           H        LYS   5   2.068  -6.593   0.749
   45    HA   LYS   5           HA       LYS   5   3.720  -4.732   2.392
   46   1HB   LYS   5          2HB       LYS   5   4.319  -6.271  -0.166
   47   2HB   LYS   5          1HB       LYS   5   5.500  -5.421   0.829
   48   1HG   LYS   5          2HG       LYS   5   4.527  -6.967   2.744
   49   2HG   LYS   5          1HG       LYS   5   4.047  -7.983   1.385
   50   1HD   LYS   5          2HD       LYS   5   6.860  -6.916   1.631
   51   2HD   LYS   5          1HD       LYS   5   6.373  -8.422   2.410
   52   1HE   LYS   5          2HE       LYS   5   5.389  -8.928  -0.034
   53   2HE   LYS   5          1HE       LYS   5   6.694  -7.818  -0.498
   54   1HZ   LYS   5          3HZ       LYS   5   7.076 -10.063   1.402
   55   2HZ   LYS   5          2HZ       LYS   5   7.372 -10.209  -0.265
   56   3HZ   LYS   5          1HZ       LYS   5   8.273  -9.112   0.669
   57    QB   LYS   5           QB       LYS   5   4.910  -5.846   0.331
   58    QG   LYS   5           QG       LYS   5   4.287  -7.475   2.065
   59    QD   LYS   5           QD       LYS   5   6.617  -7.669   2.021
   60    QE   LYS   5           QE       LYS   5   6.041  -8.373  -0.266
   61    QZ   LYS   5           QZ       LYS   5   7.574  -9.795   0.602
   62    H    LEU   6           H        LEU   6   5.068  -3.217   0.665
   63    HA   LEU   6           HA       LEU   6   3.438  -2.193  -1.544
   64   1HB   LEU   6          2HB       LEU   6   2.230  -1.301   0.386
   65   2HB   LEU   6          1HB       LEU   6   3.728  -0.681   1.072
   66    HG   LEU   6           HG       LEU   6   3.719   0.466  -1.450
   67   1HD1  LEU   6          1HD1      LEU   6   0.958  -0.198  -0.689
   68   2HD1  LEU   6          3HD1      LEU   6   1.202   1.510  -1.055
   69   3HD1  LEU   6          2HD1      LEU   6   1.614   0.287  -2.253
   70   1HD2  LEU   6          1HD2      LEU   6   3.852   1.306   1.148
   71   2HD2  LEU   6          3HD2      LEU   6   3.798   2.396  -0.236
   72   3HD2  LEU   6          2HD2      LEU   6   2.319   2.019   0.646
   73    QB   LEU   6           QB       LEU   6   2.979  -0.991   0.729
   74    QD1  LEU   6           QD1      LEU   6   1.258   0.533  -1.333
   75    QD2  LEU   6           QD2      LEU   6   3.323   1.907   0.519
   76    QQD  LEU   6           QQD      LEU   6   2.291   1.220  -0.407
   77    H    ILE   7           H        ILE   7   5.100  -1.886  -2.972
   78    HA   ILE   7           HA       ILE   7   7.727  -0.867  -2.037
   79    HB   ILE   7           HB       ILE   7   6.652  -1.741  -4.748
   80   1HG1  ILE   7          2HG1      ILE   7   8.676  -3.277  -3.166
   81   2HG1  ILE   7          1HG1      ILE   7   6.987  -3.374  -2.665
   82   1HG2  ILE   7          3HG2      ILE   7   9.348  -0.809  -3.796
   83   2HG2  ILE   7          2HG2      ILE   7   9.245  -1.993  -5.099
   84   3HG2  ILE   7          1HG2      ILE   7   8.496  -0.408  -5.287
   85   1HD1  ILE   7          1HD1      ILE   7   6.666  -3.720  -5.318
   86   2HD1  ILE   7          3HD1      ILE   7   8.291  -4.384  -5.142
   87   3HD1  ILE   7          2HD1      ILE   7   6.954  -5.067  -4.215
   88    QG1  ILE   7           QG1      ILE   7   7.831  -3.325  -2.915
   89    QG2  ILE   7           QG2      ILE   7   9.030  -1.070  -4.727
   90    QD1  ILE   7           QD1      ILE   7   7.304  -4.390  -4.891
   91    H    ILE   8           H        ILE   8   7.931   1.359  -1.926
   92    HA   ILE   8           HA       ILE   8   6.038   3.025  -3.449
   93    HB   ILE   8           HB       ILE   8   8.207   3.735  -1.436
   94   1HG1  ILE   8          2HG1      ILE   8   6.204   4.285   0.007
   95   2HG1  ILE   8          1HG1      ILE   8   5.184   3.544  -1.211
   96   1HG2  ILE   8          1HG2      ILE   8   6.014   5.399  -2.718
   97   2HG2  ILE   8          3HG2      ILE   8   7.048   5.947  -1.394
   98   3HG2  ILE   8          2HG2      ILE   8   7.754   5.596  -2.972
   99   1HD1  ILE   8          3HD1      ILE   8   7.478   2.003  -0.073
  100   2HD1  ILE   8          2HD1      ILE   8   5.968   2.125   0.833
  101   3HD1  ILE   8          1HD1      ILE   8   5.976   1.417  -0.784
  102    QG1  ILE   8           QG1      ILE   8   5.694   3.914  -0.602
  103    QG2  ILE   8           QG2      ILE   8   6.939   5.647  -2.361
  104    QD1  ILE   8           QD1      ILE   8   6.474   1.848  -0.008
  105    H    ASN   9           H        ASN   9   6.612   3.588  -5.525
  106    HA   ASN   9           HA       ASN   9   9.468   3.574  -6.317
  107   1HB   ASN   9          2HB       ASN   9   7.668   2.449  -7.638
  108   2HB   ASN   9          1HB       ASN   9   6.922   4.024  -7.905
  109   1HD2  ASN   9          2HD2      ASN   9   9.214   4.979 -10.425
  110   2HD2  ASN   9          1HD2      ASN   9   7.896   5.443  -9.460
  111    QB   ASN   9           QB       ASN   9   7.295   3.236  -7.771
  112    QD2  ASN   9           QD2      ASN   9   8.555   5.211  -9.943
  113    H    GLY  10           H        GLY  10  10.468   5.439  -7.276
  114   1HA   GLY  10          2HA       GLY  10  10.267   7.790  -8.057
  115   2HA   GLY  10          1HA       GLY  10   9.046   8.028  -6.807
  116    QA   GLY  10           QA       GLY  10   9.656   7.909  -7.432
  117    H    LYS  11           H        LYS  11  10.342   9.789  -5.947
  118    HA   LYS  11           HA       LYS  11  12.843   8.908  -4.551
  119   1HB   LYS  11          2HB       LYS  11  13.388  11.340  -4.606
  120   2HB   LYS  11          1HB       LYS  11  13.117  10.687  -6.220
  121   1HG   LYS  11          2HG       LYS  11  11.221  11.917  -6.542
  122   2HG   LYS  11          1HG       LYS  11  10.697  11.736  -4.869
  123   1HD   LYS  11          2HD       LYS  11  11.800  13.620  -4.176
  124   2HD   LYS  11          1HD       LYS  11  13.136  13.375  -5.300
  125   1HE   LYS  11          2HE       LYS  11  12.182  15.103  -6.459
  126   2HE   LYS  11          1HE       LYS  11  11.027  13.876  -7.017
  127   1HZ   LYS  11          3HZ       LYS  11  10.751  15.437  -4.502
  128   2HZ   LYS  11          2HZ       LYS  11   9.929  15.790  -5.947
  129   3HZ   LYS  11          1HZ       LYS  11   9.629  14.330  -5.132
  130    QB   LYS  11           QB       LYS  11  13.252  11.014  -5.413
  131    QG   LYS  11           QG       LYS  11  10.959  11.827  -5.706
  132    QD   LYS  11           QD       LYS  11  12.468  13.497  -4.738
  133    QE   LYS  11           QE       LYS  11  11.604  14.489  -6.738
  134    QZ   LYS  11           QZ       LYS  11  10.103  15.185  -5.194
  135    H    THR  12           H        THR  12  10.055   8.521  -3.577
  136    HA   THR  12           HA       THR  12   9.807  10.471  -1.356
  137    HB   THR  12           HB       THR  12   7.642   9.257  -1.044
  138    HG1  THR  12          1HG       THR  12   7.199   7.717  -2.790
  139   1HG2  THR  12          3HG2      THR  12   8.134  11.101  -2.833
  140   2HG2  THR  12          2HG2      THR  12   7.949   9.778  -3.983
  141   3HG2  THR  12          1HG2      THR  12   6.617  10.205  -2.910
  142    QG2  THR  12           QG2      THR  12   7.567  10.361  -3.242
  143    H    LEU  13           H        LEU  13   8.541   8.336   0.373
  144    HA   LEU  13           HA       LEU  13  10.699   7.701   2.053
  145   1HB   LEU  13          2HB       LEU  13   9.094   6.187   3.122
  146   2HB   LEU  13          1HB       LEU  13   8.273   7.656   2.602
  147    HG   LEU  13           HG       LEU  13   7.835   6.261   0.410
  148   1HD1  LEU  13          2HD1      LEU  13   9.051   4.316   2.139
  149   2HD1  LEU  13          1HD1      LEU  13   7.363   3.866   1.901
  150   3HD1  LEU  13          3HD1      LEU  13   8.421   4.084   0.510
  151   1HD2  LEU  13          1HD2      LEU  13   6.192   7.173   2.123
  152   2HD2  LEU  13          3HD2      LEU  13   5.667   5.717   1.280
  153   3HD2  LEU  13          2HD2      LEU  13   6.288   5.607   2.926
  154    QB   LEU  13           QB       LEU  13   8.684   6.921   2.862
  155    QD1  LEU  13           QD1      LEU  13   8.278   4.089   1.517
  156    QD2  LEU  13           QD2      LEU  13   6.049   6.166   2.110
  157    QQD  LEU  13           QQD      LEU  13   7.164   5.127   1.813
  158    H    LYS  14           H        LYS  14   9.405   5.801  -0.667
  159    HA   LYS  14           HA       LYS  14  10.222   3.852  -1.725
  160   1HB   LYS  14          2HB       LYS  14  12.638   5.355  -0.726
  161   2HB   LYS  14          1HB       LYS  14  12.821   3.868  -1.657
  162   1HG   LYS  14          2HG       LYS  14  11.193   4.976  -3.347
  163   2HG   LYS  14          1HG       LYS  14  11.592   6.481  -2.516
  164   1HD   LYS  14          2HD       LYS  14  13.295   6.531  -4.046
  165   2HD   LYS  14          1HD       LYS  14  14.082   5.488  -2.862
  166   1HE   LYS  14          2HE       LYS  14  12.640   3.643  -4.282
  167   2HE   LYS  14          1HE       LYS  14  13.050   4.817  -5.549
  168   1HZ   LYS  14          2HZ       LYS  14  14.974   3.684  -3.586
  169   2HZ   LYS  14          1HZ       LYS  14  14.832   3.183  -5.203
  170   3HZ   LYS  14          3HZ       LYS  14  15.343   4.761  -4.847
  171    QB   LYS  14           QB       LYS  14  12.730   4.611  -1.192
  172    QG   LYS  14           QG       LYS  14  11.392   5.729  -2.931
  173    QD   LYS  14           QD       LYS  14  13.688   6.010  -3.454
  174    QE   LYS  14           QE       LYS  14  12.845   4.230  -4.916
  175    QZ   LYS  14           QZ       LYS  14  15.050   3.876  -4.545
  176    H    GLY  15           H        GLY  15   9.433   2.095  -0.476
  177   1HA   GLY  15          2HA       GLY  15  11.323   0.463   0.882
  178   2HA   GLY  15          1HA       GLY  15  10.406   1.345   2.101
  179    QA   GLY  15           QA       GLY  15  10.864   0.904   1.491
  180    H    GLU  16           H        GLU  16   9.776  -0.958   2.640
  181    HA   GLU  16           HA       GLU  16   7.496  -1.912   0.931
  182   1HB   GLU  16          2HB       GLU  16   9.665  -3.204   2.538
  183   2HB   GLU  16          1HB       GLU  16   8.117  -4.043   2.420
  184   1HG   GLU  16          2HG       GLU  16   9.363  -4.855   0.576
  185   2HG   GLU  16          1HG       GLU  16   8.300  -3.632  -0.122
  186    QB   GLU  16           QB       GLU  16   8.891  -3.623   2.479
  187    QG   GLU  16           QG       GLU  16   8.831  -4.244   0.227
  188    H    ILE  17           H        ILE  17   8.545  -2.248   4.345
  189    HA   ILE  17           HA       ILE  17   7.303  -2.137   6.351
  190    HB   ILE  17           HB       ILE  17   5.912  -0.024   4.664
  191   1HG1  ILE  17          2HG1      ILE  17   8.216   0.212   6.629
  192   2HG1  ILE  17          1HG1      ILE  17   8.402   0.192   4.875
  193   1HG2  ILE  17          1HG2      ILE  17   5.915  -0.634   7.622
  194   2HG2  ILE  17          3HG2      ILE  17   5.595   0.994   7.025
  195   3HG2  ILE  17          2HG2      ILE  17   4.536  -0.337   6.564
  196   1HD1  ILE  17          2HD1      ILE  17   6.396   2.132   5.783
  197   2HD1  ILE  17          1HD1      ILE  17   8.007   2.458   6.421
  198   3HD1  ILE  17          3HD1      ILE  17   7.754   2.352   4.680
  199    QG1  ILE  17           QG1      ILE  17   8.309   0.202   5.752
  200    QG2  ILE  17           QG2      ILE  17   5.349   0.007   7.070
  201    QD1  ILE  17           QD1      ILE  17   7.386   2.314   5.628
  202    H    THR  18           H        THR  18   6.461  -4.350   5.671
  203    HA   THR  18           HA       THR  18   3.969  -4.789   4.371
  204    HB   THR  18           HB       THR  18   4.089  -6.971   5.494
  205    HG1  THR  18          1HG       THR  18   5.608  -7.260   7.151
  206   1HG2  THR  18          1HG2      THR  18   5.952  -6.008   3.786
  207   2HG2  THR  18          3HG2      THR  18   6.984  -6.403   5.161
  208   3HG2  THR  18          2HG2      THR  18   5.990  -7.655   4.417
  209    QG2  THR  18           QG2      THR  18   6.309  -6.689   4.454
  210    H    ILE  19           H        ILE  19   1.836  -5.061   5.227
  211    HA   ILE  19           HA       ILE  19   1.398  -4.272   8.076
  212    HB   ILE  19           HB       ILE  19  -0.286  -2.607   7.360
  213   1HG1  ILE  19          2HG1      ILE  19   0.110  -2.017   4.759
  214   2HG1  ILE  19          1HG1      ILE  19   0.380  -3.757   4.694
  215   1HG2  ILE  19          3HG2      ILE  19   2.213  -2.085   7.630
  216   2HG2  ILE  19          2HG2      ILE  19   2.285  -2.071   5.868
  217   3HG2  ILE  19          1HG2      ILE  19   1.255  -0.919   6.718
  218   1HD1  ILE  19          3HD1      ILE  19  -1.852  -3.692   6.229
  219   2HD1  ILE  19          2HD1      ILE  19  -2.113  -2.246   5.254
  220   3HD1  ILE  19          1HD1      ILE  19  -1.899  -3.813   4.470
  221    QG1  ILE  19           QG1      ILE  19   0.245  -2.887   4.726
  222    QG2  ILE  19           QG2      ILE  19   1.918  -1.692   6.739
  223    QD1  ILE  19           QD1      ILE  19  -1.955  -3.250   5.318
  224    H    GLU  20           H        GLU  20  -0.218  -5.449   9.012
  225    HA   GLU  20           HA       GLU  20  -1.523  -7.594   7.548
  226   1HB   GLU  20          2HB       GLU  20  -2.556  -8.007   9.767
  227   2HB   GLU  20          1HB       GLU  20  -0.818  -7.744   9.903
  228   1HG   GLU  20          2HG       GLU  20  -1.847  -5.174  10.116
  229   2HG   GLU  20          1HG       GLU  20  -3.039  -6.148  10.976
  230    QB   GLU  20           QB       GLU  20  -1.687  -7.875   9.835
  231    QG   GLU  20           QG       GLU  20  -2.443  -5.661  10.546
  232    H    ALA  21           H        ALA  21  -3.604  -7.653   6.732
  233    HA   ALA  21           HA       ALA  21  -5.566  -5.557   7.436
  234   1HB   ALA  21          3HB       ALA  21  -3.997  -5.725   4.898
  235   2HB   ALA  21          2HB       ALA  21  -5.695  -5.266   4.771
  236   3HB   ALA  21          1HB       ALA  21  -4.592  -4.302   5.753
  237    QB   ALA  21           QB       ALA  21  -4.761  -5.097   5.141
  238    H    VAL  22           H        VAL  22  -7.709  -6.124   6.691
  239    HA   VAL  22           HA       VAL  22  -8.424  -8.840   6.725
  240    HB   VAL  22           HB       VAL  22  -9.927  -6.933   7.145
  241   1HG1  VAL  22          1HG1      VAL  22  -8.873  -5.629   5.147
  242   2HG1  VAL  22          3HG1      VAL  22 -10.082  -6.465   4.171
  243   3HG1  VAL  22          2HG1      VAL  22 -10.590  -5.404   5.486
  244   1HG2  VAL  22          2HG2      VAL  22 -10.639  -9.274   6.034
  245   2HG2  VAL  22          1HG2      VAL  22 -11.817  -8.009   6.387
  246   3HG2  VAL  22          3HG2      VAL  22 -11.183  -8.193   4.751
  247    QG1  VAL  22           QG1      VAL  22  -9.848  -5.833   4.935
  248    QG2  VAL  22           QG2      VAL  22 -11.213  -8.492   5.724
  249    QQG  VAL  22           QQG      VAL  22 -10.530  -7.162   5.329
  250    H    ASP  23           H        ASP  23  -7.742  -6.735   3.950
  251    HA   ASP  23           HA       ASP  23  -7.153  -9.061   2.248
  252   1HB   ASP  23          2HB       ASP  23  -9.697  -7.548   2.214
  253   2HB   ASP  23          1HB       ASP  23  -8.950  -7.757   0.630
  254    QB   ASP  23           QB       ASP  23  -9.323  -7.652   1.422
  255    H    ALA  24           H        ALA  24  -6.747  -8.051  -0.130
  256    HA   ALA  24           HA       ALA  24  -4.638  -6.120   0.148
  257   1HB   ALA  24          3HB       ALA  24  -5.325  -7.932  -1.699
  258   2HB   ALA  24          2HB       ALA  24  -6.064  -6.517  -2.452
  259   3HB   ALA  24          1HB       ALA  24  -4.334  -6.530  -2.106
  260    QB   ALA  24           QB       ALA  24  -5.241  -6.993  -2.086
  261    H    ALA  25           H        ALA  25  -8.065  -5.847  -0.712
  262    HA   ALA  25           HA       ALA  25  -8.166  -3.212  -1.703
  263   1HB   ALA  25          1HB       ALA  25  -9.959  -5.081  -1.421
  264   2HB   ALA  25          3HB       ALA  25 -10.224  -4.371   0.171
  265   3HB   ALA  25          2HB       ALA  25 -10.484  -3.403  -1.281
  266    QB   ALA  25           QB       ALA  25 -10.222  -4.285  -0.844
  267    H    GLU  26           H        GLU  26  -8.271  -4.379   1.658
  268    HA   GLU  26           HA       GLU  26  -8.527  -1.752   2.867
  269   1HB   GLU  26          2HB       GLU  26  -8.996  -4.193   3.740
  270   2HB   GLU  26          1HB       GLU  26  -7.290  -4.163   4.186
  271   1HG   GLU  26          2HG       GLU  26  -8.187  -3.285   6.121
  272   2HG   GLU  26          1HG       GLU  26  -7.989  -1.792   5.203
  273    QB   GLU  26           QB       GLU  26  -8.143  -4.178   3.963
  274    QG   GLU  26           QG       GLU  26  -8.088  -2.538   5.662
  275    H    ALA  27           H        ALA  27  -5.795  -3.982   2.287
  276    HA   ALA  27           HA       ALA  27  -3.699  -2.487   3.472
  277   1HB   ALA  27          3HB       ALA  27  -3.868  -4.309   1.059
  278   2HB   ALA  27          2HB       ALA  27  -2.330  -3.657   1.629
  279   3HB   ALA  27          1HB       ALA  27  -3.290  -4.702   2.679
  280    QB   ALA  27           QB       ALA  27  -3.162  -4.223   1.789
  281    H    GLU  28           H        GLU  28  -5.045  -2.280   0.167
  282    HA   GLU  28           HA       GLU  28  -3.298  -0.267  -0.852
  283   1HB   GLU  28          2HB       GLU  28  -5.130  -1.771  -1.963
  284   2HB   GLU  28          1HB       GLU  28  -6.231  -0.462  -1.533
  285   1HG   GLU  28          2HG       GLU  28  -4.450   1.083  -2.657
  286   2HG   GLU  28          1HG       GLU  28  -3.880  -0.401  -3.423
  287    QB   GLU  28           QB       GLU  28  -5.681  -1.116  -1.748
  288    QG   GLU  28           QG       GLU  28  -4.165   0.341  -3.040
  289    H    LYS  29           H        LYS  29  -6.331  -0.039   1.016
  290    HA   LYS  29           HA       LYS  29  -6.537   2.848   0.916
  291   1HB   LYS  29          2HB       LYS  29  -7.618   0.637   2.666
  292   2HB   LYS  29          1HB       LYS  29  -7.983   2.329   3.004
  293   1HG   LYS  29          2HG       LYS  29  -8.501   2.221   0.323
  294   2HG   LYS  29          1HG       LYS  29  -8.960   0.592   0.818
  295   1HD   LYS  29          2HD       LYS  29 -10.916   1.985   1.034
  296   2HD   LYS  29          1HD       LYS  29 -10.336   1.639   2.663
  297   1HE   LYS  29          2HE       LYS  29  -9.753   3.822   3.054
  298   2HE   LYS  29          1HE       LYS  29  -9.190   4.068   1.389
  299   1HZ   LYS  29          2HZ       LYS  29 -11.542   3.934   0.679
  300   2HZ   LYS  29          1HZ       LYS  29 -12.009   3.910   2.312
  301   3HZ   LYS  29          3HZ       LYS  29 -11.226   5.272   1.676
  302    QB   LYS  29           QB       LYS  29  -7.801   1.483   2.835
  303    QG   LYS  29           QG       LYS  29  -8.730   1.406   0.570
  304    QD   LYS  29           QD       LYS  29 -10.626   1.812   1.849
  305    QE   LYS  29           QE       LYS  29  -9.471   3.945   2.221
  306    QZ   LYS  29           QZ       LYS  29 -11.592   4.372   1.556
  307    H    ILE  30           H        ILE  30  -5.315   0.588   3.408
  308    HA   ILE  30           HA       ILE  30  -4.375   2.526   5.281
  309    HB   ILE  30           HB       ILE  30  -3.334  -0.245   4.571
  310   1HG1  ILE  30          2HG1      ILE  30  -5.126   0.360   6.896
  311   2HG1  ILE  30          1HG1      ILE  30  -5.843   0.237   5.290
  312   1HG2  ILE  30          1HG2      ILE  30  -2.756   1.670   6.797
  313   2HG2  ILE  30          3HG2      ILE  30  -2.843  -0.049   7.185
  314   3HG2  ILE  30          2HG2      ILE  30  -1.679   0.528   5.992
  315   1HD1  ILE  30          3HD1      ILE  30  -3.913  -1.901   6.017
  316   2HD1  ILE  30          2HD1      ILE  30  -5.446  -1.911   6.890
  317   3HD1  ILE  30          1HD1      ILE  30  -5.434  -2.010   5.130
  318    QG1  ILE  30           QG1      ILE  30  -5.485   0.299   6.093
  319    QG2  ILE  30           QG2      ILE  30  -2.426   0.717   6.658
  320    QD1  ILE  30           QD1      ILE  30  -4.931  -1.941   6.012
  321    H    PHE  31           H        PHE  31  -2.884   1.077   2.419
  322    HA   PHE  31           HA       PHE  31  -0.286   2.354   2.780
  323   1HB   PHE  31          2HB       PHE  31  -1.747   0.737   0.716
  324   2HB   PHE  31          1HB       PHE  31  -0.297   1.604   0.220
  325    HD1  PHE  31          2HD       PHE  31   1.534   1.457   2.392
  326    HD2  PHE  31          1HD       PHE  31  -1.281  -1.508   1.082
  327    HE1  PHE  31          2HE       PHE  31   2.946  -0.321   3.392
  328    HE2  PHE  31          1HE       PHE  31   0.128  -3.289   2.081
  329   1HZ   PHE  31           HZ       PHE  31   2.243  -2.695   3.235
  330    QB   PHE  31           QB       PHE  31  -1.022   1.170   0.468
  331    QG   PHE  31           QD       PHE  31   0.127  -0.026   1.737
  332    QZ   PHE  31           QE       PHE  31   1.537  -1.805   2.736
  333    QZ   PHE  31           QR       PHE  31   1.114  -1.271   2.436
  334    H    LYS  32           H        LYS  32  -3.227   3.000   0.913
  335    HA   LYS  32           HA       LYS  32  -2.211   5.262  -0.539
  336   1HB   LYS  32          2HB       LYS  32  -4.903   4.082   0.074
  337   2HB   LYS  32          1HB       LYS  32  -4.781   5.613  -0.790
  338   1HG   LYS  32          2HG       LYS  32  -2.980   3.516  -1.819
  339   2HG   LYS  32          1HG       LYS  32  -4.692   3.130  -1.978
  340   1HD   LYS  32          2HD       LYS  32  -4.938   5.539  -2.910
  341   2HD   LYS  32          1HD       LYS  32  -3.190   5.477  -3.126
  342   1HE   LYS  32          2HE       LYS  32  -3.985   4.670  -5.197
  343   2HE   LYS  32          1HE       LYS  32  -3.702   3.167  -4.297
  344   1HZ   LYS  32          2HZ       LYS  32  -6.275   4.652  -4.394
  345   2HZ   LYS  32          1HZ       LYS  32  -5.940   3.222  -5.247
  346   3HZ   LYS  32          3HZ       LYS  32  -5.992   3.205  -3.552
  347    QB   LYS  32           QB       LYS  32  -4.842   4.848  -0.358
  348    QG   LYS  32           QG       LYS  32  -3.836   3.323  -1.898
  349    QD   LYS  32           QD       LYS  32  -4.064   5.508  -3.018
  350    QE   LYS  32           QE       LYS  32  -3.843   3.918  -4.747
  351    QZ   LYS  32           QZ       LYS  32  -6.069   3.693  -4.397
  352    H    GLN  33           H        GLN  33  -2.915   4.953   2.764
  353    HA   GLN  33           HA       GLN  33  -3.653   7.866   3.008
  354   1HB   GLN  33          2HB       GLN  33  -5.022   5.900   4.046
  355   2HB   GLN  33          1HB       GLN  33  -3.679   5.757   5.180
  356   1HG   GLN  33          2HG       GLN  33  -5.130   8.365   4.678
  357   2HG   GLN  33          1HG       GLN  33  -5.600   7.238   5.951
  358   1HE2  GLN  33          2HE2      GLN  33  -2.755   7.946   7.995
  359   2HE2  GLN  33          1HE2      GLN  33  -3.975   6.809   7.682
  360    QB   GLN  33           QB       GLN  33  -4.350   5.829   4.613
  361    QG   GLN  33           QG       GLN  33  -5.365   7.802   5.315
  362    QE2  GLN  33           QE2      GLN  33  -3.365   7.378   7.839
  363    H    TYR  34           H        TYR  34  -1.688   5.241   4.177
  364    HA   TYR  34           HA       TYR  34   0.239   6.459   5.817
  365   1HB   TYR  34          2HB       TYR  34   0.188   4.122   5.668
  366   2HB   TYR  34          1HB       TYR  34  -0.070   4.147   3.918
  367    HD1  TYR  34          2HD       TYR  34   1.879   4.540   2.396
  368    HD2  TYR  34          1HD       TYR  34   2.397   4.062   6.633
  369    HE1  TYR  34          2HE       TYR  34   4.297   4.122   2.052
  370    HE2  TYR  34          1HE       TYR  34   4.817   3.644   6.290
  371    HH   TYR  34           HH       TYR  34   6.150   2.935   3.292
  372    QB   TYR  34           QB       TYR  34   0.059   4.135   4.793
  373    QG   TYR  34           QD       TYR  34   2.138   4.301   4.515
  374    QZ   TYR  34           QE       TYR  34   4.557   3.883   4.171
  375    QR   TYR  34           QR       TYR  34   3.348   4.092   4.343
  376    H    ALA  35           H        ALA  35   0.030   6.246   2.273
  377    HA   ALA  35           HA       ALA  35   2.600   7.399   1.620
  378   1HB   ALA  35          1HB       ALA  35  -0.026   6.845   0.274
  379   2HB   ALA  35          3HB       ALA  35   1.115   7.922  -0.537
  380   3HB   ALA  35          2HB       ALA  35   1.590   6.270  -0.140
  381    QB   ALA  35           QB       ALA  35   0.893   7.012  -0.135
  382    H    ASN  36           H        ASN  36  -0.689   8.813   1.785
  383    HA   ASN  36           HA       ASN  36  -0.066  11.477   1.064
  384   1HB   ASN  36          2HB       ASN  36  -2.150  10.076   2.676
  385   2HB   ASN  36          1HB       ASN  36  -2.097  11.836   2.746
  386   1HD2  ASN  36          2HD2      ASN  36  -2.580  10.329  -1.050
  387   2HD2  ASN  36          1HD2      ASN  36  -1.393   9.660  -0.038
  388    QB   ASN  36           QB       ASN  36  -2.124  10.956   2.711
  389    QD2  ASN  36           QD2      ASN  36  -1.987   9.994  -0.544
  390    H    ASP  37           H        ASP  37  -0.260  10.099   4.368
  391    HA   ASP  37           HA       ASP  37   0.497  12.414   5.807
  392   1HB   ASP  37          2HB       ASP  37  -0.296   9.952   6.443
  393   2HB   ASP  37          1HB       ASP  37   1.436   9.713   6.673
  394    QB   ASP  37           QB       ASP  37   0.570   9.833   6.558
  395    H    ASN  38           H        ASN  38   2.445  10.327   3.858
  396    HA   ASN  38           HA       ASN  38   4.948  11.391   4.991
  397   1HB   ASN  38          2HB       ASN  38   4.073   9.018   3.422
  398   2HB   ASN  38          1HB       ASN  38   5.730   9.573   3.182
  399   1HD2  ASN  38          2HD2      ASN  38   6.527   9.034   6.738
  400   2HD2  ASN  38          1HD2      ASN  38   6.694  10.270   5.586
  401    QB   ASN  38           QB       ASN  38   4.901   9.296   3.302
  402    QD2  ASN  38           QD2      ASN  38   6.610   9.652   6.162
  403    H    GLY  39           H        GLY  39   2.925  11.521   2.140
  404   1HA   GLY  39          2HA       GLY  39   3.104  13.465   0.641
  405   2HA   GLY  39          1HA       GLY  39   4.847  13.454   0.917
  406    QA   GLY  39           QA       GLY  39   3.976  13.459   0.779
  407    H    ILE  40           H        ILE  40   3.057  10.490   0.393
  408    HA   ILE  40           HA       ILE  40   4.621  10.011  -2.089
  409    HB   ILE  40           HB       ILE  40   3.249   8.450   0.062
  410   1HG1  ILE  40          2HG1      ILE  40   5.396   7.150  -0.126
  411   2HG1  ILE  40          1HG1      ILE  40   5.906   8.316  -1.351
  412   1HG2  ILE  40          3HG2      ILE  40   2.331   7.496  -2.075
  413   2HG2  ILE  40          2HG2      ILE  40   3.990   7.151  -2.565
  414   3HG2  ILE  40          1HG2      ILE  40   3.306   6.369  -1.138
  415   1HD1  ILE  40          3HD1      ILE  40   4.939   9.139   1.387
  416   2HD1  ILE  40          2HD1      ILE  40   6.647   8.841   1.028
  417   3HD1  ILE  40          1HD1      ILE  40   5.775  10.132   0.187
  418    QG1  ILE  40           QG1      ILE  40   5.651   7.733  -0.739
  419    QG2  ILE  40           QG2      ILE  40   3.209   7.005  -1.926
  420    QD1  ILE  40           QD1      ILE  40   5.787   9.371   0.867
  421    H    ASP  41           H        ASP  41   3.544  10.914  -3.797
  422    HA   ASP  41           HA       ASP  41   0.714  10.059  -4.266
  423   1HB   ASP  41          2HB       ASP  41   1.174  12.415  -3.157
  424   2HB   ASP  41          1HB       ASP  41   1.544  12.887  -4.816
  425    QB   ASP  41           QB       ASP  41   1.359  12.651  -3.987
  426    H    GLY  42           H        GLY  42   0.970   8.906  -6.143
  427   1HA   GLY  42          2HA       GLY  42   1.691  10.296  -8.587
  428   2HA   GLY  42          1HA       GLY  42   2.894   9.087  -8.142
  429    QA   GLY  42           QA       GLY  42   2.292   9.691  -8.364
  430    H    GLU  43           H        GLU  43   2.496   6.995  -8.781
  431    HA   GLU  43           HA       GLU  43  -0.223   6.391  -9.893
  432   1HB   GLU  43          2HB       GLU  43   2.280   6.134 -10.942
  433   2HB   GLU  43          1HB       GLU  43   2.052   4.523 -10.261
  434   1HG   GLU  43          2HG       GLU  43  -0.341   4.789 -11.429
  435   2HG   GLU  43          1HG       GLU  43   0.580   5.868 -12.479
  436    QB   GLU  43           QB       GLU  43   2.166   5.329 -10.601
  437    QG   GLU  43           QG       GLU  43   0.119   5.328 -11.954
  438    H    TRP  44           H        TRP  44  -0.697   3.871  -9.663
  439    HA   TRP  44           HA       TRP  44   0.144   2.674  -7.067
  440   1HB   TRP  44          2HB       TRP  44  -2.529   3.931  -7.671
  441   2HB   TRP  44          1HB       TRP  44  -2.475   2.489  -6.652
  442    HD1  TRP  44           HD       TRP  44  -1.514   6.170  -6.685
  443    HE1  TRP  44          1HE       TRP  44  -0.786   6.842  -4.303
  444    HE3  TRP  44          3HE       TRP  44  -1.461   1.583  -4.488
  445    HZ2  TRP  44          2HZ       TRP  44  -0.249   5.580  -1.785
  446    HZ3  TRP  44          3HZ       TRP  44  -0.843   1.338  -2.091
  447    HH2  TRP  44           HH       TRP  44  -0.234   3.329  -0.748
  448    QB   TRP  44           QB       TRP  44  -2.502   3.210  -7.162
  449    H    THR  45           H        THR  45   0.218   0.491  -7.368
  450    HA   THR  45           HA       THR  45  -1.691  -0.807  -9.253
  451    HB   THR  45           HB       THR  45   0.045  -1.812 -10.547
  452    HG1  THR  45          1HG       THR  45   1.789  -2.348  -9.558
  453   1HG2  THR  45          3HG2      THR  45  -0.293   0.569 -11.092
  454   2HG2  THR  45          2HG2      THR  45   0.966   1.004  -9.933
  455   3HG2  THR  45          1HG2      THR  45   1.377   0.078 -11.378
  456    QG2  THR  45           QG2      THR  45   0.683   0.550 -10.801
  457    H    TYR  46           H        TYR  46  -2.334  -2.771  -8.447
  458    HA   TYR  46           HA       TYR  46  -1.019  -3.712  -5.945
  459   1HB   TYR  46          2HB       TYR  46  -3.382  -3.330  -5.773
  460   2HB   TYR  46          1HB       TYR  46  -3.700  -4.211  -7.271
  461    HD1  TYR  46          1HD       TYR  46  -1.720  -4.909  -4.155
  462    HD2  TYR  46          2HD       TYR  46  -4.742  -6.267  -6.887
  463    HE1  TYR  46          1HE       TYR  46  -1.907  -7.030  -2.891
  464    HE2  TYR  46          2HE       TYR  46  -4.930  -8.391  -5.618
  465    HH   TYR  46           HH       TYR  46  -4.430  -9.087  -3.118
  466    QB   TYR  46           QB       TYR  46  -3.541  -3.771  -6.522
  467    QG   TYR  46           QD       TYR  46  -3.231  -5.588  -5.521
  468    QZ   TYR  46           QE       TYR  46  -3.418  -7.711  -4.255
  469    QR   TYR  46           QR       TYR  46  -3.325  -6.649  -4.888
  470    H    ASP  47           H        ASP  47  -0.282  -5.859  -5.752
  471    HA   ASP  47           HA       ASP  47  -0.048  -7.409  -8.309
  472   1HB   ASP  47          2HB       ASP  47   1.976  -6.176  -7.051
  473   2HB   ASP  47          1HB       ASP  47   1.951  -7.662  -6.099
  474    QB   ASP  47           QB       ASP  47   1.963  -6.919  -6.575
  475    H    ASP  48           H        ASP  48  -1.790  -8.812  -7.877
  476    HA   ASP  48           HA       ASP  48  -2.311 -10.040  -5.324
  477   1HB   ASP  48          2HB       ASP  48  -3.789  -9.660  -7.416
  478   2HB   ASP  48          1HB       ASP  48  -3.081 -11.161  -8.010
  479    QB   ASP  48           QB       ASP  48  -3.435 -10.410  -7.713
  480    H    ALA  49           H        ALA  49   0.203 -10.630  -7.524
  481    HA   ALA  49           HA       ALA  49   0.400 -13.531  -7.061
  482   1HB   ALA  49          3HB       ALA  49   2.163 -11.484  -8.451
  483   2HB   ALA  49          2HB       ALA  49   2.421 -13.228  -8.501
  484   3HB   ALA  49          1HB       ALA  49   0.975 -12.529  -9.231
  485    QB   ALA  49           QB       ALA  49   1.853 -12.414  -8.727
  486    H    THR  50           H        THR  50   1.797 -10.514  -5.892
  487    HA   THR  50           HA       THR  50   3.442 -12.090  -3.940
  488    HB   THR  50           HB       THR  50   5.045 -10.183  -4.107
  489    HG1  THR  50          1HG       THR  50   3.491  -8.632  -4.765
  490   1HG2  THR  50          1HG2      THR  50   5.011 -12.266  -5.656
  491   2HG2  THR  50          3HG2      THR  50   4.444 -11.147  -6.895
  492   3HG2  THR  50          2HG2      THR  50   6.013 -10.893  -6.129
  493    QG2  THR  50           QG2      THR  50   5.156 -11.435  -6.226
  494    H    LYS  51           H        LYS  51   0.684 -10.327  -4.152
  495    HA   LYS  51           HA       LYS  51  -0.558  -9.012  -2.635
  496   1HB   LYS  51          2HB       LYS  51   1.464 -10.282  -0.754
  497   2HB   LYS  51          1HB       LYS  51  -0.059  -9.545  -0.260
  498   1HG   LYS  51          2HG       LYS  51  -0.324 -11.565  -2.397
  499   2HG   LYS  51          1HG       LYS  51   0.254 -12.205  -0.859
  500   1HD   LYS  51          2HD       LYS  51  -1.736 -10.618   0.045
  501   2HD   LYS  51          1HD       LYS  51  -2.385 -11.019  -1.544
  502   1HE   LYS  51          2HE       LYS  51  -2.462 -13.328  -1.072
  503   2HE   LYS  51          1HE       LYS  51  -1.287 -13.187   0.251
  504   1HZ   LYS  51          1HZ       LYS  51  -2.925 -11.715   1.384
  505   2HZ   LYS  51          3HZ       LYS  51  -4.061 -12.130   0.194
  506   3HZ   LYS  51          2HZ       LYS  51  -3.440 -13.327   1.228
  507    QB   LYS  51           QB       LYS  51   0.703  -9.913  -0.507
  508    QG   LYS  51           QG       LYS  51  -0.035 -11.885  -1.628
  509    QD   LYS  51           QD       LYS  51  -2.061 -10.819  -0.749
  510    QE   LYS  51           QE       LYS  51  -1.875 -13.257  -0.410
  511    QZ   LYS  51           QZ       LYS  51  -3.476 -12.391   0.935
  512    H    THR  52           H        THR  52   1.629  -7.689  -3.998
  513    HA   THR  52           HA       THR  52   2.383  -5.663  -1.905
  514    HB   THR  52           HB       THR  52   4.033  -6.450  -4.316
  515    HG1  THR  52          1HG       THR  52   4.823  -8.062  -3.210
  516   1HG2  THR  52          3HG2      THR  52   4.371  -4.737  -1.898
  517   2HG2  THR  52          2HG2      THR  52   5.785  -5.616  -2.478
  518   3HG2  THR  52          1HG2      THR  52   4.953  -4.485  -3.544
  519    QG2  THR  52           QG2      THR  52   5.036  -4.946  -2.640
  520    H    PHE  53           H        PHE  53   1.895  -3.558  -2.454
  521    HA   PHE  53           HA       PHE  53   0.603  -3.059  -5.068
  522   1HB   PHE  53          2HB       PHE  53   0.930  -1.538  -2.473
  523   2HB   PHE  53          1HB       PHE  53   0.145  -0.828  -3.884
  524    HD1  PHE  53          2HD       PHE  53   0.006  -3.712  -1.516
  525    HD2  PHE  53          1HD       PHE  53  -2.120  -1.359  -4.423
  526    HE1  PHE  53          2HE       PHE  53  -2.112  -4.869  -0.910
  527    HE2  PHE  53          1HE       PHE  53  -4.220  -2.520  -3.821
  528   1HZ   PHE  53           HZ       PHE  53  -4.218  -4.273  -2.070
  529    QB   PHE  53           QB       PHE  53   0.538  -1.183  -3.179
  530    QG   PHE  53           QD       PHE  53  -1.057  -2.535  -2.969
  531    QZ   PHE  53           QE       PHE  53  -3.166  -3.694  -2.365
  532    QZ   PHE  53           QR       PHE  53  -2.533  -3.347  -2.548
  533    H    THR  54           H        THR  54   1.273  -0.383  -5.607
  534    HA   THR  54           HA       THR  54   4.203  -0.066  -5.480
  535    HB   THR  54           HB       THR  54   2.993  -0.086  -8.225
  536    HG1  THR  54          1HG       THR  54   2.326  -2.065  -7.622
  537   1HG2  THR  54          2HG2      THR  54   5.672  -0.538  -6.950
  538   2HG2  THR  54          1HG2      THR  54   5.359  -1.162  -8.570
  539   3HG2  THR  54          3HG2      THR  54   5.230   0.568  -8.252
  540    QG2  THR  54           QG2      THR  54   5.420  -0.377  -7.924
  541    H    VAL  55           H        VAL  55   3.797   1.938  -4.541
  542    HA   VAL  55           HA       VAL  55   1.997   3.782  -6.003
  543    HB   VAL  55           HB       VAL  55   1.452   3.517  -3.693
  544   1HG1  VAL  55          2HG1      VAL  55   4.376   4.086  -3.148
  545   2HG1  VAL  55          1HG1      VAL  55   3.124   4.099  -1.905
  546   3HG1  VAL  55          3HG1      VAL  55   3.468   2.610  -2.783
  547   1HG2  VAL  55          3HG2      VAL  55   1.363   5.838  -4.581
  548   2HG2  VAL  55          2HG2      VAL  55   1.662   5.792  -2.844
  549   3HG2  VAL  55          1HG2      VAL  55   2.989   6.113  -3.959
  550    QG1  VAL  55           QG1      VAL  55   3.656   3.598  -2.612
  551    QG2  VAL  55           QG2      VAL  55   2.004   5.915  -3.795
  552    QQG  VAL  55           QQG      VAL  55   2.830   4.756  -3.203
  553    H    THR  56           H        THR  56   3.087   4.749  -7.599
  554    HA   THR  56           HA       THR  56   5.873   5.650  -7.319
  555    HB   THR  56           HB       THR  56   3.706   5.502  -9.401
  556    HG1  THR  56          1HG       THR  56   5.123   3.806  -9.206
  557   1HG2  THR  56          1HG2      THR  56   6.205   7.192  -9.720
  558   2HG2  THR  56          3HG2      THR  56   5.115   6.735 -11.029
  559   3HG2  THR  56          2HG2      THR  56   4.538   7.778  -9.728
  560    QG2  THR  56           QG2      THR  56   5.286   7.235 -10.159
  561    H    GLU  57           H        GLU  57   6.254   8.077  -7.946
  562    HA   GLU  57           HA       GLU  57   4.125   9.822  -6.759
  563   1HB   GLU  57          2HB       GLU  57   5.919   9.295  -5.130
  564   2HB   GLU  57          1HB       GLU  57   7.123   9.902  -6.266
  565   1HG   GLU  57          2HG       GLU  57   4.872  11.744  -5.661
  566   2HG   GLU  57          1HG       GLU  57   5.999  11.443  -4.338
  567    QB   GLU  57           QB       GLU  57   6.521   9.598  -5.698
  568    QG   GLU  57           QG       GLU  57   5.436  11.593  -4.999
   
  No H/Q in entry =         568
  Start of MODEL    7
    1   1H    MET   1          3HT       MET   1  -1.681 -12.522   8.689
    2   2H    MET   1          2HT       MET   1  -1.036 -13.930   9.388
    3   3H    MET   1          1HT       MET   1  -0.070 -12.956   8.386
    4    HA   MET   1           HA       MET   1  -0.745 -14.876   7.127
    5   1HB   MET   1          2HB       MET   1  -3.330 -14.074   8.422
    6   2HB   MET   1          1HB       MET   1  -3.388 -14.946   6.891
    7   1HG   MET   1          2HG       MET   1  -1.971 -16.728   7.859
    8   2HG   MET   1          1HG       MET   1  -1.948 -15.865   9.396
    9   1HE   MET   1          2HE       MET   1  -3.163 -18.447   7.455
   10   2HE   MET   1          1HE       MET   1  -4.823 -18.852   7.890
   11   3HE   MET   1          3HE       MET   1  -4.500 -17.569   6.715
   12    QB   MET   1           QB       MET   1  -3.359 -14.510   7.656
   13    QG   MET   1           QG       MET   1  -1.959 -16.296   8.628
   14    QE   MET   1           QE       MET   1  -4.162 -18.289   7.353
   15    H    THR   2           H        THR   2  -3.028 -12.106   7.119
   16    HA   THR   2           HA       THR   2  -2.606 -11.767   4.202
   17    HB   THR   2           HB       THR   2  -4.442 -10.390   6.190
   18    HG1  THR   2          1HG       THR   2  -5.075 -12.463   6.100
   19   1HG2  THR   2          1HG2      THR   2  -4.057 -10.233   3.231
   20   2HG2  THR   2          3HG2      THR   2  -5.702 -10.134   3.858
   21   3HG2  THR   2          2HG2      THR   2  -4.490  -8.961   4.374
   22    QG2  THR   2           QG2      THR   2  -4.749  -9.776   3.821
   23    H    THR   3           H        THR   3  -0.251 -11.122   5.398
   24    HA   THR   3           HA       THR   3  -0.153  -8.275   6.137
   25    HB   THR   3           HB       THR   3   2.011 -10.335   5.586
   26    HG1  THR   3          1HG       THR   3   1.655 -11.007   7.540
   27   1HG2  THR   3          1HG2      THR   3   2.046  -7.498   6.364
   28   2HG2  THR   3          3HG2      THR   3   2.971  -8.542   7.443
   29   3HG2  THR   3          2HG2      THR   3   3.342  -8.505   5.719
   30    QG2  THR   3           QG2      THR   3   2.786  -8.182   6.509
   31    H    PHE   4           H        PHE   4  -0.582  -6.941   4.377
   32    HA   PHE   4           HA       PHE   4   0.527  -7.563   1.707
   33   1HB   PHE   4          2HB       PHE   4  -1.365  -5.582   2.944
   34   2HB   PHE   4          1HB       PHE   4  -0.688  -5.242   1.351
   35    HD1  PHE   4          2HD       PHE   4  -0.826  -7.151  -0.411
   36    HD2  PHE   4          1HD       PHE   4  -3.239  -6.989   3.137
   37    HE1  PHE   4          2HE       PHE   4  -2.445  -8.715  -1.445
   38    HE2  PHE   4          1HE       PHE   4  -4.862  -8.551   2.097
   39   1HZ   PHE   4           HZ       PHE   4  -4.465  -9.417  -0.189
   40    QB   PHE   4           QB       PHE   4  -1.027  -5.412   2.148
   41    QG   PHE   4           QD       PHE   4  -2.033  -7.070   1.363
   42    QZ   PHE   4           QE       PHE   4  -3.654  -8.633   0.326
   43    QZ   PHE   4           QR       PHE   4  -3.167  -8.165   0.638
   44    H    LYS   5           H        LYS   5   2.036  -6.169   0.632
   45    HA   LYS   5           HA       LYS   5   3.656  -4.447   2.482
   46   1HB   LYS   5          2HB       LYS   5   4.403  -5.920  -0.075
   47   2HB   LYS   5          1HB       LYS   5   5.520  -5.029   0.959
   48   1HG   LYS   5          2HG       LYS   5   4.764  -6.575   2.855
   49   2HG   LYS   5          1HG       LYS   5   4.008  -7.565   1.609
   50   1HD   LYS   5          2HD       LYS   5   6.421  -7.300   0.481
   51   2HD   LYS   5          1HD       LYS   5   6.901  -7.107   2.167
   52   1HE   LYS   5          2HE       LYS   5   5.592  -9.237   2.669
   53   2HE   LYS   5          1HE       LYS   5   5.478  -9.472   0.913
   54   1HZ   LYS   5          3HZ       LYS   5   7.899  -9.216   0.786
   55   2HZ   LYS   5          2HZ       LYS   5   7.978  -9.106   2.480
   56   3HZ   LYS   5          1HZ       LYS   5   7.460 -10.546   1.743
   57    QB   LYS   5           QB       LYS   5   4.962  -5.475   0.442
   58    QG   LYS   5           QG       LYS   5   4.386  -7.070   2.232
   59    QD   LYS   5           QD       LYS   5   6.661  -7.203   1.324
   60    QE   LYS   5           QE       LYS   5   5.535  -9.355   1.791
   61    QZ   LYS   5           QZ       LYS   5   7.779  -9.623   1.670
   62    H    LEU   6           H        LEU   6   5.088  -2.948   0.713
   63    HA   LEU   6           HA       LEU   6   3.416  -1.848  -1.428
   64   1HB   LEU   6          2HB       LEU   6   2.328  -0.959   0.581
   65   2HB   LEU   6          1HB       LEU   6   3.872  -0.349   1.174
   66    HG   LEU   6           HG       LEU   6   3.996   1.018  -0.991
   67   1HD1  LEU   6          2HD1      LEU   6   1.099   0.136  -1.064
   68   2HD1  LEU   6          1HD1      LEU   6   1.738   1.489  -1.999
   69   3HD1  LEU   6          3HD1      LEU   6   2.327  -0.146  -2.298
   70   1HD2  LEU   6          3HD2      LEU   6   3.177   1.738   1.405
   71   2HD2  LEU   6          2HD2      LEU   6   2.914   2.817   0.036
   72   3HD2  LEU   6          1HD2      LEU   6   1.594   1.812   0.631
   73    QB   LEU   6           QB       LEU   6   3.100  -0.654   0.878
   74    QD1  LEU   6           QD1      LEU   6   1.722   0.493  -1.787
   75    QD2  LEU   6           QD2      LEU   6   2.562   2.122   0.691
   76    QQD  LEU   6           QQD      LEU   6   2.142   1.308  -0.548
   77    H    ILE   7           H        ILE   7   5.226  -1.950  -2.793
   78    HA   ILE   7           HA       ILE   7   7.837  -0.891  -1.974
   79    HB   ILE   7           HB       ILE   7   6.702  -1.788  -4.653
   80   1HG1  ILE   7          2HG1      ILE   7   8.506  -3.318  -2.758
   81   2HG1  ILE   7          1HG1      ILE   7   6.750  -3.486  -2.746
   82   1HG2  ILE   7          1HG2      ILE   7   9.367  -0.819  -3.754
   83   2HG2  ILE   7          3HG2      ILE   7   9.367  -2.235  -4.806
   84   3HG2  ILE   7          2HG2      ILE   7   8.617  -0.734  -5.348
   85   1HD1  ILE   7          3HD1      ILE   7   8.108  -3.722  -5.387
   86   2HD1  ILE   7          2HD1      ILE   7   8.322  -5.057  -4.255
   87   3HD1  ILE   7          1HD1      ILE   7   6.701  -4.584  -4.765
   88    QG1  ILE   7           QG1      ILE   7   7.628  -3.402  -2.752
   89    QG2  ILE   7           QG2      ILE   7   9.117  -1.263  -4.636
   90    QD1  ILE   7           QD1      ILE   7   7.710  -4.454  -4.802
   91    H    ILE   8           H        ILE   8   8.072   1.312  -1.876
   92    HA   ILE   8           HA       ILE   8   6.240   3.050  -3.359
   93    HB   ILE   8           HB       ILE   8   8.706   3.852  -1.805
   94   1HG1  ILE   8          2HG1      ILE   8   7.257   2.293  -0.448
   95   2HG1  ILE   8          1HG1      ILE   8   7.363   3.907   0.215
   96   1HG2  ILE   8          3HG2      ILE   8   6.090   5.200  -2.526
   97   2HG2  ILE   8          2HG2      ILE   8   7.221   5.859  -1.337
   98   3HG2  ILE   8          1HG2      ILE   8   7.721   5.673  -3.018
   99   1HD1  ILE   8          2HD1      ILE   8   5.193   4.467  -0.845
  100   2HD1  ILE   8          1HD1      ILE   8   5.079   2.796  -1.413
  101   3HD1  ILE   8          3HD1      ILE   8   5.060   3.147   0.315
  102    QG1  ILE   8           QG1      ILE   8   7.310   3.100  -0.116
  103    QG2  ILE   8           QG2      ILE   8   7.011   5.577  -2.294
  104    QD1  ILE   8           QD1      ILE   8   5.111   3.470  -0.648
  105    H    ASN   9           H        ASN   9   6.672   3.051  -5.564
  106    HA   ASN   9           HA       ASN   9   9.332   2.880  -6.703
  107   1HB   ASN   9          2HB       ASN   9   7.263   2.140  -7.822
  108   2HB   ASN   9          1HB       ASN   9   6.665   3.794  -7.813
  109   1HD2  ASN   9          2HD2      ASN   9   8.102   4.265 -10.999
  110   2HD2  ASN   9          1HD2      ASN   9   6.718   4.391 -10.021
  111    QB   ASN   9           QB       ASN   9   6.964   2.967  -7.817
  112    QD2  ASN   9           QD2      ASN   9   7.410   4.328 -10.510
  113    H    GLY  10           H        GLY  10  10.207   4.665  -8.148
  114   1HA   GLY  10          2HA       GLY  10  10.639   6.958  -8.638
  115   2HA   GLY  10          1HA       GLY  10   9.416   7.416  -7.450
  116    QA   GLY  10           QA       GLY  10  10.028   7.187  -8.044
  117    H    LYS  11           H        LYS  11  10.893   8.941  -6.491
  118    HA   LYS  11           HA       LYS  11  13.134   7.683  -4.939
  119   1HB   LYS  11          2HB       LYS  11  14.158   9.952  -5.080
  120   2HB   LYS  11          1HB       LYS  11  13.853   9.270  -6.675
  121   1HG   LYS  11          2HG       LYS  11  11.591  10.821  -5.584
  122   2HG   LYS  11          1HG       LYS  11  13.047  11.775  -5.866
  123   1HD   LYS  11          2HD       LYS  11  13.123  11.156  -8.173
  124   2HD   LYS  11          1HD       LYS  11  11.911   9.895  -7.945
  125   1HE   LYS  11          2HE       LYS  11  10.744  11.748  -8.938
  126   2HE   LYS  11          1HE       LYS  11  10.317  11.790  -7.215
  127   1HZ   LYS  11          2HZ       LYS  11  12.573  13.284  -8.448
  128   2HZ   LYS  11          1HZ       LYS  11  11.075  13.967  -8.025
  129   3HZ   LYS  11          3HZ       LYS  11  12.095  13.350  -6.819
  130    QB   LYS  11           QB       LYS  11  14.005   9.611  -5.877
  131    QG   LYS  11           QG       LYS  11  12.319  11.298  -5.725
  132    QD   LYS  11           QD       LYS  11  12.517  10.525  -8.059
  133    QE   LYS  11           QE       LYS  11  10.530  11.769  -8.077
  134    QZ   LYS  11           QZ       LYS  11  11.914  13.534  -7.764
  135    H    THR  12           H        THR  12  10.342   7.803  -4.085
  136    HA   THR  12           HA       THR  12  10.097  10.004  -2.160
  137    HB   THR  12           HB       THR  12   8.296   7.686  -1.912
  138    HG1  THR  12          1HG       THR  12   8.406   9.110  -4.361
  139   1HG2  THR  12          1HG2      THR  12   8.114  10.659  -2.282
  140   2HG2  THR  12          3HG2      THR  12   6.682   9.658  -2.525
  141   3HG2  THR  12          2HG2      THR  12   7.501   9.660  -0.963
  142    QG2  THR  12           QG2      THR  12   7.433   9.992  -1.923
  143    H    LEU  13           H        LEU  13   8.863   8.314  -0.073
  144    HA   LEU  13           HA       LEU  13  10.940   8.017   1.761
  145   1HB   LEU  13          2HB       LEU  13   9.310   6.806   3.051
  146   2HB   LEU  13          1HB       LEU  13   8.399   7.923   2.041
  147    HG   LEU  13           HG       LEU  13   8.495   5.819   0.377
  148   1HD1  LEU  13          2HD1      LEU  13   8.992   4.806   3.141
  149   2HD1  LEU  13          1HD1      LEU  13   7.843   3.899   2.156
  150   3HD1  LEU  13          3HD1      LEU  13   9.497   4.132   1.592
  151   1HD2  LEU  13          1HD2      LEU  13   6.503   7.122   1.445
  152   2HD2  LEU  13          3HD2      LEU  13   6.212   5.471   0.882
  153   3HD2  LEU  13          2HD2      LEU  13   6.457   5.794   2.603
  154    QB   LEU  13           QB       LEU  13   8.854   7.364   2.546
  155    QD1  LEU  13           QD1      LEU  13   8.777   4.279   2.296
  156    QD2  LEU  13           QD2      LEU  13   6.391   6.129   1.643
  157    QQD  LEU  13           QQD      LEU  13   7.584   5.204   1.970
  158    H    LYS  14           H        LYS  14  10.051   5.813  -0.822
  159    HA   LYS  14           HA       LYS  14  11.009   3.802  -1.588
  160   1HB   LYS  14          2HB       LYS  14  13.197   5.399  -0.305
  161   2HB   LYS  14          1HB       LYS  14  13.563   3.773  -0.883
  162   1HG   LYS  14          2HG       LYS  14  12.131   5.779  -2.625
  163   2HG   LYS  14          1HG       LYS  14  13.892   5.716  -2.551
  164   1HD   LYS  14          2HD       LYS  14  12.641   3.074  -2.910
  165   2HD   LYS  14          1HD       LYS  14  12.318   4.191  -4.235
  166   1HE   LYS  14          2HE       LYS  14  14.357   3.454  -4.995
  167   2HE   LYS  14          1HE       LYS  14  14.994   4.630  -3.829
  168   1HZ   LYS  14          2HZ       LYS  14  14.890   2.888  -2.121
  169   2HZ   LYS  14          1HZ       LYS  14  14.406   1.765  -3.300
  170   3HZ   LYS  14          3HZ       LYS  14  15.945   2.472  -3.386
  171    QB   LYS  14           QB       LYS  14  13.380   4.586  -0.594
  172    QG   LYS  14           QG       LYS  14  13.011   5.748  -2.588
  173    QD   LYS  14           QD       LYS  14  12.479   3.632  -3.572
  174    QE   LYS  14           QE       LYS  14  14.675   4.042  -4.412
  175    QZ   LYS  14           QZ       LYS  14  15.080   2.375  -2.935
  176    H    GLY  15           H        GLY  15  10.029   2.074  -0.531
  177   1HA   GLY  15          2HA       GLY  15  11.441   0.435   1.228
  178   2HA   GLY  15          1HA       GLY  15  10.480   1.481   2.271
  179    QA   GLY  15           QA       GLY  15  10.960   0.958   1.749
  180    H    GLU  16           H        GLU  16  10.217  -1.399   1.918
  181    HA   GLU  16           HA       GLU  16   7.545  -1.649   0.614
  182   1HB   GLU  16          2HB       GLU  16   8.186  -3.968   0.361
  183   2HB   GLU  16          1HB       GLU  16   9.572  -2.979  -0.093
  184   1HG   GLU  16          2HG       GLU  16  10.097  -3.291   2.541
  185   2HG   GLU  16          1HG       GLU  16   9.239  -4.800   2.227
  186    QB   GLU  16           QB       GLU  16   8.879  -3.473   0.134
  187    QG   GLU  16           QG       GLU  16   9.668  -4.045   2.384
  188    H    ILE  17           H        ILE  17   7.302  -0.388   3.015
  189    HA   ILE  17           HA       ILE  17   7.258  -1.816   5.429
  190    HB   ILE  17           HB       ILE  17   6.811   0.582   5.175
  191   1HG1  ILE  17          2HG1      ILE  17   4.222  -0.371   6.304
  192   2HG1  ILE  17          1HG1      ILE  17   5.694  -1.021   7.026
  193   1HG2  ILE  17          1HG2      ILE  17   4.932  -0.314   3.228
  194   2HG2  ILE  17          3HG2      ILE  17   4.026   0.541   4.476
  195   3HG2  ILE  17          2HG2      ILE  17   5.356   1.343   3.645
  196   1HD1  ILE  17          2HD1      ILE  17   5.640   1.912   6.533
  197   2HD1  ILE  17          1HD1      ILE  17   4.601   1.309   7.825
  198   3HD1  ILE  17          3HD1      ILE  17   6.338   1.010   7.878
  199    QG1  ILE  17           QG1      ILE  17   4.958  -0.696   6.665
  200    QG2  ILE  17           QG2      ILE  17   4.771   0.523   3.783
  201    QD1  ILE  17           QD1      ILE  17   5.526   1.410   7.412
  202    H    THR  18           H        THR  18   6.131  -3.565   6.133
  203    HA   THR  18           HA       THR  18   3.908  -4.627   4.456
  204    HB   THR  18           HB       THR  18   4.380  -6.709   5.653
  205    HG1  THR  18          1HG       THR  18   6.317  -5.269   7.127
  206   1HG2  THR  18          2HG2      THR  18   6.112  -5.491   3.916
  207   2HG2  THR  18          1HG2      THR  18   7.172  -5.830   5.283
  208   3HG2  THR  18          3HG2      THR  18   6.290  -7.144   4.503
  209    QG2  THR  18           QG2      THR  18   6.525  -6.155   4.567
  210    H    ILE  19           H        ILE  19   1.824  -4.872   5.280
  211    HA   ILE  19           HA       ILE  19   1.352  -4.277   8.167
  212    HB   ILE  19           HB       ILE  19  -0.401  -2.649   7.529
  213   1HG1  ILE  19          2HG1      ILE  19  -0.026  -1.907   4.967
  214   2HG1  ILE  19          1HG1      ILE  19   0.340  -3.625   4.811
  215   1HG2  ILE  19          1HG2      ILE  19   1.996  -1.954   7.898
  216   2HG2  ILE  19          3HG2      ILE  19   2.215  -1.996   6.149
  217   3HG2  ILE  19          2HG2      ILE  19   1.073  -0.859   6.868
  218   1HD1  ILE  19          1HD1      ILE  19  -1.908  -3.725   6.355
  219   2HD1  ILE  19          3HD1      ILE  19  -2.238  -2.289   5.386
  220   3HD1  ILE  19          2HD1      ILE  19  -1.921  -3.834   4.596
  221    QG1  ILE  19           QG1      ILE  19   0.157  -2.766   4.889
  222    QG2  ILE  19           QG2      ILE  19   1.761  -1.603   6.972
  223    QD1  ILE  19           QD1      ILE  19  -2.023  -3.283   5.446
  224    H    GLU  20           H        GLU  20  -0.429  -5.376   9.014
  225    HA   GLU  20           HA       GLU  20  -1.556  -7.550   7.382
  226   1HB   GLU  20          2HB       GLU  20  -0.773  -7.724   9.774
  227   2HB   GLU  20          1HB       GLU  20  -2.125  -6.689  10.237
  228   1HG   GLU  20          2HG       GLU  20  -3.732  -8.303   9.590
  229   2HG   GLU  20          1HG       GLU  20  -2.555  -9.218   8.645
  230    QB   GLU  20           QB       GLU  20  -1.449  -7.207  10.006
  231    QG   GLU  20           QG       GLU  20  -3.144  -8.760   9.118
  232    H    ALA  21           H        ALA  21  -3.766  -7.728   6.804
  233    HA   ALA  21           HA       ALA  21  -5.712  -5.682   7.632
  234   1HB   ALA  21          1HB       ALA  21  -4.531  -5.848   4.844
  235   2HB   ALA  21          3HB       ALA  21  -6.015  -4.968   5.213
  236   3HB   ALA  21          2HB       ALA  21  -4.489  -4.467   5.942
  237    QB   ALA  21           QB       ALA  21  -5.011  -5.095   5.333
  238    H    VAL  22           H        VAL  22  -7.881  -6.200   6.812
  239    HA   VAL  22           HA       VAL  22  -8.605  -8.912   6.841
  240    HB   VAL  22           HB       VAL  22 -10.112  -7.003   7.229
  241   1HG1  VAL  22          2HG1      VAL  22  -9.028  -5.692   5.261
  242   2HG1  VAL  22          1HG1      VAL  22 -10.199  -6.541   4.251
  243   3HG1  VAL  22          3HG1      VAL  22 -10.756  -5.484   5.548
  244   1HG2  VAL  22          2HG2      VAL  22 -10.819  -9.342   6.122
  245   2HG2  VAL  22          1HG2      VAL  22 -11.996  -8.064   6.426
  246   3HG2  VAL  22          3HG2      VAL  22 -11.318  -8.272   4.811
  247    QG1  VAL  22           QG1      VAL  22  -9.994  -5.905   5.020
  248    QG2  VAL  22           QG2      VAL  22 -11.377  -8.559   5.786
  249    QQG  VAL  22           QQG      VAL  22 -10.686  -7.232   5.403
  250    H    ASP  23           H        ASP  23  -7.892  -6.817   4.071
  251    HA   ASP  23           HA       ASP  23  -7.264  -9.137   2.377
  252   1HB   ASP  23          2HB       ASP  23  -9.750  -7.462   2.153
  253   2HB   ASP  23          1HB       ASP  23  -9.006  -8.076   0.677
  254    QB   ASP  23           QB       ASP  23  -9.378  -7.769   1.415
  255    H    ALA  24           H        ALA  24  -6.732  -8.164   0.046
  256    HA   ALA  24           HA       ALA  24  -4.697  -6.179   0.359
  257   1HB   ALA  24          3HB       ALA  24  -5.418  -8.003  -1.526
  258   2HB   ALA  24          2HB       ALA  24  -5.974  -6.517  -2.300
  259   3HB   ALA  24          1HB       ALA  24  -4.280  -6.690  -1.834
  260    QB   ALA  24           QB       ALA  24  -5.224  -7.070  -1.887
  261    H    ALA  25           H        ALA  25  -8.123  -5.956  -0.425
  262    HA   ALA  25           HA       ALA  25  -8.273  -3.351  -1.505
  263   1HB   ALA  25          3HB       ALA  25 -10.157  -4.865   0.329
  264   2HB   ALA  25          2HB       ALA  25 -10.612  -3.454  -0.627
  265   3HB   ALA  25          1HB       ALA  25 -10.132  -4.948  -1.433
  266    QB   ALA  25           QB       ALA  25 -10.301  -4.422  -0.577
  267    H    GLU  26           H        GLU  26  -8.461  -4.413   1.897
  268    HA   GLU  26           HA       GLU  26  -8.634  -1.752   3.021
  269   1HB   GLU  26          2HB       GLU  26  -9.336  -3.910   4.100
  270   2HB   GLU  26          1HB       GLU  26  -7.635  -4.355   4.231
  271   1HG   GLU  26          2HG       GLU  26  -7.955  -3.393   6.313
  272   2HG   GLU  26          1HG       GLU  26  -7.455  -1.973   5.395
  273    QB   GLU  26           QB       GLU  26  -8.485  -4.133   4.165
  274    QG   GLU  26           QG       GLU  26  -7.705  -2.683   5.854
  275    H    ALA  27           H        ALA  27  -5.962  -4.032   2.432
  276    HA   ALA  27           HA       ALA  27  -3.827  -2.591   3.634
  277   1HB   ALA  27          3HB       ALA  27  -4.219  -4.649   1.531
  278   2HB   ALA  27          2HB       ALA  27  -2.683  -3.781   1.457
  279   3HB   ALA  27          1HB       ALA  27  -3.134  -4.662   2.921
  280    QB   ALA  27           QB       ALA  27  -3.345  -4.364   1.970
  281    H    GLU  28           H        GLU  28  -5.172  -2.400   0.329
  282    HA   GLU  28           HA       GLU  28  -3.383  -0.447  -0.729
  283   1HB   GLU  28          2HB       GLU  28  -5.237  -1.918  -1.824
  284   2HB   GLU  28          1HB       GLU  28  -6.328  -0.604  -1.384
  285   1HG   GLU  28          2HG       GLU  28  -4.718   0.974  -2.565
  286   2HG   GLU  28          1HG       GLU  28  -3.902  -0.455  -3.200
  287    QB   GLU  28           QB       GLU  28  -5.782  -1.261  -1.604
  288    QG   GLU  28           QG       GLU  28  -4.310   0.260  -2.883
  289    H    LYS  29           H        LYS  29  -6.375  -0.115   1.185
  290    HA   LYS  29           HA       LYS  29  -6.522   2.776   1.018
  291   1HB   LYS  29          2HB       LYS  29  -7.558   0.781   3.065
  292   2HB   LYS  29          1HB       LYS  29  -8.095   2.455   2.926
  293   1HG   LYS  29          2HG       LYS  29  -8.344   1.464   0.326
  294   2HG   LYS  29          1HG       LYS  29  -8.866   0.119   1.340
  295   1HD   LYS  29          2HD       LYS  29 -10.868   1.224   1.274
  296   2HD   LYS  29          1HD       LYS  29 -10.146   2.151   2.588
  297   1HE   LYS  29          2HE       LYS  29  -9.284   3.238   0.038
  298   2HE   LYS  29          1HE       LYS  29 -11.054   3.170   0.113
  299   1HZ   LYS  29          1HZ       LYS  29 -10.967   4.184   2.307
  300   2HZ   LYS  29          3HZ       LYS  29  -9.275   4.272   2.223
  301   3HZ   LYS  29          2HZ       LYS  29 -10.226   5.190   1.156
  302    QB   LYS  29           QB       LYS  29  -7.826   1.618   2.995
  303    QG   LYS  29           QG       LYS  29  -8.605   0.792   0.833
  304    QD   LYS  29           QD       LYS  29 -10.507   1.687   1.931
  305    QE   LYS  29           QE       LYS  29 -10.169   3.204   0.076
  306    QZ   LYS  29           QZ       LYS  29 -10.156   4.549   1.895
  307    H    ILE  30           H        ILE  30  -5.333   0.548   3.555
  308    HA   ILE  30           HA       ILE  30  -4.312   2.504   5.365
  309    HB   ILE  30           HB       ILE  30  -3.399  -0.327   4.709
  310   1HG1  ILE  30          2HG1      ILE  30  -5.212   0.635   6.940
  311   2HG1  ILE  30          1HG1      ILE  30  -5.820   0.028   5.401
  312   1HG2  ILE  30          3HG2      ILE  30  -1.774   1.125   6.050
  313   2HG2  ILE  30          2HG2      ILE  30  -3.010   1.184   7.306
  314   3HG2  ILE  30          1HG2      ILE  30  -2.302  -0.361   6.839
  315   1HD1  ILE  30          1HD1      ILE  30  -4.082  -1.958   6.028
  316   2HD1  ILE  30          3HD1      ILE  30  -4.559  -1.443   7.646
  317   3HD1  ILE  30          2HD1      ILE  30  -5.783  -1.980   6.496
  318    QG1  ILE  30           QG1      ILE  30  -5.516   0.332   6.170
  319    QG2  ILE  30           QG2      ILE  30  -2.362   0.650   6.732
  320    QD1  ILE  30           QD1      ILE  30  -4.808  -1.794   6.723
  321    H    PHE  31           H        PHE  31  -2.927   0.966   2.500
  322    HA   PHE  31           HA       PHE  31  -0.282   2.167   2.800
  323   1HB   PHE  31          2HB       PHE  31  -1.814   0.560   0.771
  324   2HB   PHE  31          1HB       PHE  31  -0.316   1.343   0.275
  325    HD1  PHE  31          1HD       PHE  31   1.454   1.152   2.527
  326    HD2  PHE  31          2HD       PHE  31  -1.438  -1.700   1.132
  327    HE1  PHE  31          1HE       PHE  31   2.758  -0.682   3.571
  328    HE2  PHE  31          2HE       PHE  31  -0.134  -3.531   2.180
  329   1HZ   PHE  31           HZ       PHE  31   1.965  -3.022   3.397
  330    QB   PHE  31           QB       PHE  31  -1.065   0.952   0.523
  331    QG   PHE  31           QD       PHE  31   0.008  -0.274   1.829
  332    QZ   PHE  31           QE       PHE  31   1.312  -2.107   2.875
  333    QZ   PHE  31           QR       PHE  31   0.921  -1.557   2.561
  334    H    LYS  32           H        LYS  32  -3.249   2.868   0.997
  335    HA   LYS  32           HA       LYS  32  -2.137   5.104  -0.461
  336   1HB   LYS  32          2HB       LYS  32  -4.877   3.953  -0.003
  337   2HB   LYS  32          1HB       LYS  32  -4.648   5.433  -0.932
  338   1HG   LYS  32          2HG       LYS  32  -2.781   3.325  -1.751
  339   2HG   LYS  32          1HG       LYS  32  -4.465   2.834  -1.928
  340   1HD   LYS  32          2HD       LYS  32  -3.353   5.445  -2.990
  341   2HD   LYS  32          1HD       LYS  32  -3.544   3.985  -3.960
  342   1HE   LYS  32          2HE       LYS  32  -5.865   4.120  -3.958
  343   2HE   LYS  32          1HE       LYS  32  -5.912   4.996  -2.415
  344   1HZ   LYS  32          3HZ       LYS  32  -4.752   6.100  -4.916
  345   2HZ   LYS  32          2HZ       LYS  32  -6.332   6.429  -4.386
  346   3HZ   LYS  32          1HZ       LYS  32  -5.000   6.925  -3.455
  347    QB   LYS  32           QB       LYS  32  -4.763   4.693  -0.468
  348    QG   LYS  32           QG       LYS  32  -3.623   3.080  -1.839
  349    QD   LYS  32           QD       LYS  32  -3.448   4.715  -3.475
  350    QE   LYS  32           QE       LYS  32  -5.889   4.558  -3.186
  351    QZ   LYS  32           QZ       LYS  32  -5.362   6.484  -4.252
  352    H    GLN  33           H        GLN  33  -2.797   4.832   2.789
  353    HA   GLN  33           HA       GLN  33  -3.737   7.689   3.018
  354   1HB   GLN  33          2HB       GLN  33  -5.075   5.814   4.095
  355   2HB   GLN  33          1HB       GLN  33  -3.661   5.451   5.083
  356   1HG   GLN  33          2HG       GLN  33  -3.909   7.331   6.376
  357   2HG   GLN  33          1HG       GLN  33  -4.571   8.285   5.048
  358   1HE2  GLN  33          2HE2      GLN  33  -7.279   7.347   7.558
  359   2HE2  GLN  33          1HE2      GLN  33  -5.736   8.023   7.766
  360    QB   GLN  33           QB       GLN  33  -4.368   5.632   4.589
  361    QG   GLN  33           QG       GLN  33  -4.240   7.808   5.712
  362    QE2  GLN  33           QE2      GLN  33  -6.507   7.685   7.662
  363    H    TYR  34           H        TYR  34  -1.596   5.196   4.184
  364    HA   TYR  34           HA       TYR  34   0.263   6.573   5.789
  365   1HB   TYR  34          2HB       TYR  34   0.265   4.218   5.683
  366   2HB   TYR  34          1HB       TYR  34   0.120   4.211   3.920
  367    HD1  TYR  34          1HD       TYR  34   2.167   4.750   2.528
  368    HD2  TYR  34          2HD       TYR  34   2.394   4.223   6.787
  369    HE1  TYR  34          1HE       TYR  34   4.621   4.451   2.362
  370    HE2  TYR  34          2HE       TYR  34   4.849   3.925   6.619
  371    HH   TYR  34           HH       TYR  34   6.489   3.179   4.820
  372    QB   TYR  34           QB       TYR  34   0.192   4.215   4.802
  373    QG   TYR  34           QD       TYR  34   2.280   4.487   4.658
  374    QZ   TYR  34           QE       TYR  34   4.735   4.188   4.490
  375    QR   TYR  34           QR       TYR  34   3.508   4.338   4.574
  376    H    ALA  35           H        ALA  35   0.053   6.207   2.258
  377    HA   ALA  35           HA       ALA  35   2.547   7.440   1.522
  378   1HB   ALA  35          2HB       ALA  35  -0.106   6.851   0.233
  379   2HB   ALA  35          1HB       ALA  35   1.058   7.863  -0.624
  380   3HB   ALA  35          3HB       ALA  35   1.491   6.213  -0.168
  381    QB   ALA  35           QB       ALA  35   0.814   6.976  -0.186
  382    H    ASN  36           H        ASN  36  -0.777   8.777   1.689
  383    HA   ASN  36           HA       ASN  36  -0.195  11.442   0.926
  384   1HB   ASN  36          2HB       ASN  36  -2.265  10.095   2.640
  385   2HB   ASN  36          1HB       ASN  36  -2.278  11.849   2.448
  386   1HD2  ASN  36          2HD2      ASN  36  -3.202   9.475  -0.768
  387   2HD2  ASN  36          1HD2      ASN  36  -2.434   8.793   0.583
  388    QB   ASN  36           QB       ASN  36  -2.271  10.972   2.544
  389    QD2  ASN  36           QD2      ASN  36  -2.818   9.134  -0.092
  390    H    ASP  37           H        ASP  37  -0.329  10.059   4.231
  391    HA   ASP  37           HA       ASP  37   0.292  12.399   5.689
  392   1HB   ASP  37          2HB       ASP  37  -0.407  10.026   6.430
  393   2HB   ASP  37          1HB       ASP  37   1.314   9.644   6.372
  394    QB   ASP  37           QB       ASP  37   0.454   9.835   6.401
  395    H    ASN  38           H        ASN  38   2.361  10.412   3.742
  396    HA   ASN  38           HA       ASN  38   4.791  11.695   4.808
  397   1HB   ASN  38          2HB       ASN  38   4.084   9.216   3.320
  398   2HB   ASN  38          1HB       ASN  38   5.689   9.890   3.037
  399   1HD2  ASN  38          1HD2      ASN  38   4.088   7.724   5.004
  400   2HD2  ASN  38          2HD2      ASN  38   5.103   7.784   6.364
  401    QB   ASN  38           QB       ASN  38   4.886   9.553   3.179
  402    QD2  ASN  38           QD2      ASN  38   4.596   7.754   5.684
  403    H    GLY  39           H        GLY  39   2.728  11.606   1.984
  404   1HA   GLY  39          2HA       GLY  39   2.744  13.519   0.438
  405   2HA   GLY  39          1HA       GLY  39   4.486  13.647   0.691
  406    QA   GLY  39           QA       GLY  39   3.615  13.583   0.565
  407    H    ILE  40           H        ILE  40   2.812  10.595   0.210
  408    HA   ILE  40           HA       ILE  40   4.467  10.090  -2.205
  409    HB   ILE  40           HB       ILE  40   3.004   8.563  -0.094
  410   1HG1  ILE  40          2HG1      ILE  40   5.134   7.276  -0.091
  411   2HG1  ILE  40          1HG1      ILE  40   5.715   8.321  -1.386
  412   1HG2  ILE  40          1HG2      ILE  40   2.188   7.561  -2.242
  413   2HG2  ILE  40          3HG2      ILE  40   3.869   7.229  -2.664
  414   3HG2  ILE  40          2HG2      ILE  40   3.139   6.457  -1.253
  415   1HD1  ILE  40          3HD1      ILE  40   4.734   9.348   1.283
  416   2HD1  ILE  40          2HD1      ILE  40   6.436   9.045   0.920
  417   3HD1  ILE  40          1HD1      ILE  40   5.546  10.273   0.015
  418    QG1  ILE  40           QG1      ILE  40   5.425   7.798  -0.738
  419    QG2  ILE  40           QG2      ILE  40   3.066   7.082  -2.053
  420    QD1  ILE  40           QD1      ILE  40   5.572   9.556   0.740
  421    H    ASP  41           H        ASP  41   3.466  10.928  -3.993
  422    HA   ASP  41           HA       ASP  41   0.708   9.991  -4.629
  423   1HB   ASP  41          2HB       ASP  41   0.872  12.294  -3.398
  424   2HB   ASP  41          1HB       ASP  41   1.443  12.894  -4.956
  425    QB   ASP  41           QB       ASP  41   1.157  12.594  -4.177
  426    H    GLY  42           H        GLY  42   1.342   8.856  -6.466
  427   1HA   GLY  42          2HA       GLY  42   2.127  10.422  -8.812
  428   2HA   GLY  42          1HA       GLY  42   3.337   9.247  -8.295
  429    QA   GLY  42           QA       GLY  42   2.732   9.834  -8.553
  430    H    GLU  43           H        GLU  43   2.111   7.013  -7.683
  431    HA   GLU  43           HA       GLU  43  -0.039   6.377  -9.633
  432   1HB   GLU  43          2HB       GLU  43   2.539   6.227 -10.443
  433   2HB   GLU  43          1HB       GLU  43   2.374   4.628  -9.718
  434   1HG   GLU  43          2HG       GLU  43   1.629   4.176 -11.866
  435   2HG   GLU  43          1HG       GLU  43   0.103   4.618 -11.103
  436    QB   GLU  43           QB       GLU  43   2.456   5.428 -10.081
  437    QG   GLU  43           QG       GLU  43   0.866   4.397 -11.485
  438    H    TRP  44           H        TRP  44  -0.539   3.888  -9.385
  439    HA   TRP  44           HA       TRP  44   0.172   2.669  -6.776
  440   1HB   TRP  44          2HB       TRP  44  -2.444   4.024  -7.412
  441   2HB   TRP  44          1HB       TRP  44  -2.467   2.557  -6.423
  442    HD1  TRP  44           HD       TRP  44  -1.539   6.219  -6.294
  443    HE1  TRP  44          1HE       TRP  44  -0.738   6.783  -3.906
  444    HE3  TRP  44          3HE       TRP  44  -1.305   1.529  -4.353
  445    HZ2  TRP  44          2HZ       TRP  44  -0.082   5.404  -1.480
  446    HZ3  TRP  44          3HZ       TRP  44  -0.594   1.171  -1.996
  447    HH2  TRP  44           HH       TRP  44   0.023   3.102  -0.569
  448    QB   TRP  44           QB       TRP  44  -2.455   3.291  -6.918
  449    H    THR  45           H        THR  45   0.267   0.505  -7.158
  450    HA   THR  45           HA       THR  45  -1.675  -0.741  -9.047
  451    HB   THR  45           HB       THR  45   0.054  -1.745 -10.360
  452    HG1  THR  45          1HG       THR  45   1.577  -2.337  -8.962
  453   1HG2  THR  45          1HG2      THR  45  -0.329   0.644 -10.876
  454   2HG2  THR  45          3HG2      THR  45   0.958   1.080  -9.750
  455   3HG2  THR  45          2HG2      THR  45   1.335   0.164 -11.214
  456    QG2  THR  45           QG2      THR  45   0.654   0.629 -10.614
  457    H    TYR  46           H        TYR  46  -2.365  -2.665  -8.235
  458    HA   TYR  46           HA       TYR  46  -1.026  -3.714  -5.794
  459   1HB   TYR  46          2HB       TYR  46  -3.395  -3.309  -5.621
  460   2HB   TYR  46          1HB       TYR  46  -3.714  -4.176  -7.126
  461    HD1  TYR  46          2HD       TYR  46  -1.749  -4.898  -4.005
  462    HD2  TYR  46          1HD       TYR  46  -4.746  -6.242  -6.771
  463    HE1  TYR  46          2HE       TYR  46  -1.953  -7.024  -2.751
  464    HE2  TYR  46          1HE       TYR  46  -4.942  -8.374  -5.520
  465    HH   TYR  46           HH       TYR  46  -2.737  -9.487  -3.430
  466    QB   TYR  46           QB       TYR  46  -3.555  -3.742  -6.374
  467    QG   TYR  46           QD       TYR  46  -3.247  -5.570  -5.388
  468    QZ   TYR  46           QE       TYR  46  -3.448  -7.699  -4.135
  469    QR   TYR  46           QR       TYR  46  -3.348  -6.635  -4.762
  470    H    ASP  47           H        ASP  47  -0.253  -5.852  -5.695
  471    HA   ASP  47           HA       ASP  47  -0.021  -7.288  -8.319
  472   1HB   ASP  47          2HB       ASP  47   2.019  -6.197  -7.128
  473   2HB   ASP  47          1HB       ASP  47   1.869  -7.523  -5.975
  474    QB   ASP  47           QB       ASP  47   1.944  -6.860  -6.551
  475    H    ASP  48           H        ASP  48  -1.771  -8.717  -8.057
  476    HA   ASP  48           HA       ASP  48  -2.412 -10.072  -5.590
  477   1HB   ASP  48          2HB       ASP  48  -3.870  -9.570  -7.626
  478   2HB   ASP  48          1HB       ASP  48  -3.078 -10.939  -8.407
  479    QB   ASP  48           QB       ASP  48  -3.474 -10.255  -8.017
  480    H    ALA  49           H        ALA  49   0.186 -10.559  -7.708
  481    HA   ALA  49           HA       ALA  49   0.336 -13.487  -7.345
  482   1HB   ALA  49          3HB       ALA  49   0.885 -12.383  -9.500
  483   2HB   ALA  49          2HB       ALA  49   2.160 -11.466  -8.696
  484   3HB   ALA  49          1HB       ALA  49   2.289 -13.219  -8.838
  485    QB   ALA  49           QB       ALA  49   1.778 -12.356  -9.011
  486    H    THR  50           H        THR  50   1.706 -10.506  -6.068
  487    HA   THR  50           HA       THR  50   3.419 -12.139  -4.223
  488    HB   THR  50           HB       THR  50   4.968 -10.183  -4.312
  489    HG1  THR  50          1HG       THR  50   3.480  -8.589  -4.842
  490   1HG2  THR  50          3HG2      THR  50   4.849 -12.191  -6.038
  491   2HG2  THR  50          2HG2      THR  50   4.436 -10.899  -7.166
  492   3HG2  THR  50          1HG2      THR  50   5.967 -10.850  -6.290
  493    QG2  THR  50           QG2      THR  50   5.084 -11.314  -6.498
  494    H    LYS  51           H        LYS  51   0.626 -10.389  -4.339
  495    HA   LYS  51           HA       LYS  51  -0.628  -9.185  -2.748
  496   1HB   LYS  51          2HB       LYS  51   1.398 -10.535  -0.927
  497   2HB   LYS  51          1HB       LYS  51  -0.148  -9.860  -0.412
  498   1HG   LYS  51          2HG       LYS  51  -0.074 -11.915  -2.608
  499   2HG   LYS  51          1HG       LYS  51   0.015 -12.425  -0.923
  500   1HD   LYS  51          2HD       LYS  51  -2.046 -10.764  -0.672
  501   2HD   LYS  51          1HD       LYS  51  -2.239 -11.119  -2.389
  502   1HE   LYS  51          2HE       LYS  51  -1.827 -13.634  -1.435
  503   2HE   LYS  51          1HE       LYS  51  -2.654 -12.892  -0.050
  504   1HZ   LYS  51          3HZ       LYS  51  -4.271 -11.960  -1.686
  505   2HZ   LYS  51          2HZ       LYS  51  -3.563 -12.945  -2.875
  506   3HZ   LYS  51          1HZ       LYS  51  -4.331 -13.647  -1.533
  507    QB   LYS  51           QB       LYS  51   0.625 -10.197  -0.670
  508    QG   LYS  51           QG       LYS  51  -0.030 -12.170  -1.766
  509    QD   LYS  51           QD       LYS  51  -2.143 -10.941  -1.531
  510    QE   LYS  51           QE       LYS  51  -2.240 -13.263  -0.743
  511    QZ   LYS  51           QZ       LYS  51  -4.055 -12.851  -2.032
  512    H    THR  52           H        THR  52   1.484  -7.735  -4.038
  513    HA   THR  52           HA       THR  52   2.225  -5.825  -1.834
  514    HB   THR  52           HB       THR  52   3.935  -6.557  -4.224
  515    HG1  THR  52          1HG       THR  52   5.006  -7.935  -2.842
  516   1HG2  THR  52          2HG2      THR  52   4.234  -4.861  -1.781
  517   2HG2  THR  52          1HG2      THR  52   5.658  -5.703  -2.391
  518   3HG2  THR  52          3HG2      THR  52   4.796  -4.566  -3.426
  519    QG2  THR  52           QG2      THR  52   4.896  -5.043  -2.533
  520    H    PHE  53           H        PHE  53   1.857  -3.671  -2.317
  521    HA   PHE  53           HA       PHE  53   0.588  -3.038  -4.918
  522   1HB   PHE  53          2HB       PHE  53   0.939  -1.592  -2.279
  523   2HB   PHE  53          1HB       PHE  53   0.138  -0.860  -3.671
  524    HD1  PHE  53          2HD       PHE  53   0.024  -3.767  -1.336
  525    HD2  PHE  53          1HD       PHE  53  -2.130  -1.389  -4.204
  526    HE1  PHE  53          2HE       PHE  53  -2.084  -4.939  -0.730
  527    HE2  PHE  53          1HE       PHE  53  -4.224  -2.569  -3.598
  528   1HZ   PHE  53           HZ       PHE  53  -4.200  -4.340  -1.867
  529    QB   PHE  53           QB       PHE  53   0.539  -1.226  -2.975
  530    QG   PHE  53           QD       PHE  53  -1.053  -2.578  -2.770
  531    QZ   PHE  53           QE       PHE  53  -3.154  -3.754  -2.164
  532    QZ   PHE  53           QR       PHE  53  -2.523  -3.401  -2.347
  533    H    THR  54           H        THR  54   1.317  -0.423  -5.459
  534    HA   THR  54           HA       THR  54   4.238  -0.105  -5.194
  535    HB   THR  54           HB       THR  54   3.150  -0.209  -7.990
  536    HG1  THR  54          1HG       THR  54   3.792  -2.461  -7.988
  537   1HG2  THR  54          2HG2      THR  54   5.794  -0.597  -6.613
  538   2HG2  THR  54          1HG2      THR  54   5.542  -1.185  -8.257
  539   3HG2  THR  54          3HG2      THR  54   5.372   0.533  -7.900
  540    QG2  THR  54           QG2      THR  54   5.570  -0.417  -7.590
  541    H    VAL  55           H        VAL  55   4.017   1.990  -4.462
  542    HA   VAL  55           HA       VAL  55   2.339   3.816  -6.118
  543    HB   VAL  55           HB       VAL  55   1.484   3.518  -3.871
  544   1HG1  VAL  55          2HG1      VAL  55   4.311   4.197  -3.016
  545   2HG1  VAL  55          1HG1      VAL  55   2.929   4.189  -1.914
  546   3HG1  VAL  55          3HG1      VAL  55   3.415   2.697  -2.723
  547   1HG2  VAL  55          3HG2      VAL  55   1.374   5.807  -4.777
  548   2HG2  VAL  55          2HG2      VAL  55   1.589   5.835  -3.025
  549   3HG2  VAL  55          1HG2      VAL  55   2.959   6.160  -4.090
  550    QG1  VAL  55           QG1      VAL  55   3.551   3.694  -2.551
  551    QG2  VAL  55           QG2      VAL  55   1.974   5.934  -3.964
  552    QQG  VAL  55           QQG      VAL  55   2.763   4.814  -3.258
  553    H    THR  56           H        THR  56   3.298   5.522  -7.073
  554    HA   THR  56           HA       THR  56   6.139   6.114  -6.331
  555    HB   THR  56           HB       THR  56   5.325   4.917  -8.581
  556    HG1  THR  56          1HG       THR  56   7.232   6.990  -8.748
  557   1HG2  THR  56          3HG2      THR  56   3.849   6.942  -9.143
  558   2HG2  THR  56          2HG2      THR  56   5.355   7.780  -9.519
  559   3HG2  THR  56          1HG2      THR  56   4.907   6.326 -10.415
  560    QG2  THR  56           QG2      THR  56   4.704   7.016  -9.692
  561    H    GLU  57           H        GLU  57   6.596   8.429  -7.571
  562    HA   GLU  57           HA       GLU  57   4.391  10.279  -6.708
  563   1HB   GLU  57          2HB       GLU  57   6.416  10.047  -5.176
  564   2HB   GLU  57          1HB       GLU  57   7.380  10.746  -6.475
  565   1HG   GLU  57          2HG       GLU  57   5.175  12.468  -6.236
  566   2HG   GLU  57          1HG       GLU  57   5.607  12.071  -4.574
  567    QB   GLU  57           QB       GLU  57   6.898  10.396  -5.826
  568    QG   GLU  57           QG       GLU  57   5.391  12.269  -5.405
   
  No H/Q in entry =         568
  Start of MODEL    8
    1   1H    MET   1          2HT       MET   1  -2.317 -15.663   6.568
    2   2H    MET   1          1HT       MET   1  -0.638 -15.723   6.316
    3   3H    MET   1          3HT       MET   1  -1.276 -16.052   7.853
    4    HA   MET   1           HA       MET   1  -2.011 -13.773   8.099
    5   1HB   MET   1          2HB       MET   1   0.462 -14.793   8.338
    6   2HB   MET   1          1HB       MET   1   0.800 -13.571   7.112
    7   1HG   MET   1          2HG       MET   1  -0.020 -11.809   8.522
    8   2HG   MET   1          1HG       MET   1  -0.680 -12.962   9.681
    9   1HE   MET   1          3HE       MET   1   0.425 -14.479  10.990
   10   2HE   MET   1          2HE       MET   1   1.994 -14.240  11.754
   11   3HE   MET   1          1HE       MET   1   0.702 -13.074  12.027
   12    QB   MET   1           QB       MET   1   0.631 -14.182   7.725
   13    QG   MET   1           QG       MET   1  -0.350 -12.385   9.101
   14    QE   MET   1           QE       MET   1   1.040 -13.931  11.590
   15    H    THR   2           H        THR   2  -2.482 -11.792   7.120
   16    HA   THR   2           HA       THR   2  -2.175 -11.680   4.145
   17    HB   THR   2           HB       THR   2  -3.989 -10.124   6.018
   18    HG1  THR   2          1HG       THR   2  -4.525 -12.270   6.146
   19   1HG2  THR   2          1HG2      THR   2  -3.676 -10.354   3.048
   20   2HG2  THR   2          3HG2      THR   2  -5.287 -10.092   3.714
   21   3HG2  THR   2          2HG2      THR   2  -4.002  -8.926   4.029
   22    QG2  THR   2           QG2      THR   2  -4.322  -9.790   3.597
   23    H    THR   3           H        THR   3   0.099 -11.000   5.738
   24    HA   THR   3           HA       THR   3   0.294  -8.182   6.304
   25    HB   THR   3           HB       THR   3   2.501 -10.103   5.508
   26    HG1  THR   3          1HG       THR   3   1.741 -11.205   7.128
   27   1HG2  THR   3          2HG2      THR   3   2.616  -7.431   6.152
   28   2HG2  THR   3          1HG2      THR   3   2.869  -8.197   7.722
   29   3HG2  THR   3          3HG2      THR   3   3.939  -8.576   6.373
   30    QG2  THR   3           QG2      THR   3   3.141  -8.068   6.749
   31    H    PHE   4           H        PHE   4  -0.658  -7.210   4.363
   32    HA   PHE   4           HA       PHE   4   0.462  -7.592   1.720
   33   1HB   PHE   4          2HB       PHE   4  -1.404  -5.726   3.125
   34   2HB   PHE   4          1HB       PHE   4  -0.762  -5.213   1.565
   35    HD1  PHE   4          1HD       PHE   4  -0.808  -7.062  -0.323
   36    HD2  PHE   4          2HD       PHE   4  -3.329  -7.054   3.152
   37    HE1  PHE   4          1HE       PHE   4  -2.414  -8.546  -1.489
   38    HE2  PHE   4          2HE       PHE   4  -4.939  -8.537   1.983
   39   1HZ   PHE   4           HZ       PHE   4  -4.481  -9.283  -0.336
   40    QB   PHE   4           QB       PHE   4  -1.083  -5.470   2.345
   41    QG   PHE   4           QD       PHE   4  -2.069  -7.058   1.414
   42    QZ   PHE   4           QE       PHE   4  -3.676  -8.541   0.247
   43    QZ   PHE   4           QR       PHE   4  -3.194  -8.096   0.597
   44    H    LYS   5           H        LYS   5   2.088  -6.403   0.686
   45    HA   LYS   5           HA       LYS   5   3.687  -4.564   2.429
   46   1HB   LYS   5          2HB       LYS   5   4.364  -6.211  -0.033
   47   2HB   LYS   5          1HB       LYS   5   5.510  -5.182   0.825
   48   1HG   LYS   5          2HG       LYS   5   5.970  -7.020   2.070
   49   2HG   LYS   5          1HG       LYS   5   4.435  -6.696   2.874
   50   1HD   LYS   5          2HD       LYS   5   3.281  -8.291   1.596
   51   2HD   LYS   5          1HD       LYS   5   4.500  -8.289   0.320
   52   1HE   LYS   5          2HE       LYS   5   5.244  -9.188   3.101
   53   2HE   LYS   5          1HE       LYS   5   4.462 -10.313   1.974
   54   1HZ   LYS   5          2HZ       LYS   5   6.820  -8.650   1.274
   55   2HZ   LYS   5          1HZ       LYS   5   6.934 -10.261   1.798
   56   3HZ   LYS   5          3HZ       LYS   5   6.131  -9.898   0.349
   57    QB   LYS   5           QB       LYS   5   4.937  -5.697   0.396
   58    QG   LYS   5           QG       LYS   5   5.202  -6.858   2.472
   59    QD   LYS   5           QD       LYS   5   3.890  -8.290   0.958
   60    QE   LYS   5           QE       LYS   5   4.853  -9.750   2.538
   61    QZ   LYS   5           QZ       LYS   5   6.628  -9.603   1.140
   62    H    LEU   6           H        LEU   6   4.967  -2.918   0.925
   63    HA   LEU   6           HA       LEU   6   3.362  -1.943  -1.368
   64   1HB   LEU   6          2HB       LEU   6   2.258  -0.999   0.601
   65   2HB   LEU   6          1HB       LEU   6   3.801  -0.419   1.223
   66    HG   LEU   6           HG       LEU   6   3.994   0.941  -0.948
   67   1HD1  LEU   6          1HD1      LEU   6   1.100   0.068  -1.076
   68   2HD1  LEU   6          3HD1      LEU   6   1.723   1.470  -1.945
   69   3HD1  LEU   6          2HD1      LEU   6   2.343  -0.139  -2.309
   70   1HD2  LEU   6          1HD2      LEU   6   3.136   1.664   1.444
   71   2HD2  LEU   6          3HD2      LEU   6   2.968   2.762   0.076
   72   3HD2  LEU   6          2HD2      LEU   6   1.588   1.810   0.616
   73    QB   LEU   6           QB       LEU   6   3.029  -0.709   0.912
   74    QD1  LEU   6           QD1      LEU   6   1.722   0.466  -1.777
   75    QD2  LEU   6           QD2      LEU   6   2.564   2.078   0.712
   76    QQD  LEU   6           QQD      LEU   6   2.143   1.272  -0.532
   77    H    ILE   7           H        ILE   7   5.033  -1.788  -2.832
   78    HA   ILE   7           HA       ILE   7   7.736  -0.951  -2.039
   79    HB   ILE   7           HB       ILE   7   6.388  -1.498  -4.711
   80   1HG1  ILE   7          2HG1      ILE   7   6.465  -3.468  -3.231
   81   2HG1  ILE   7          1HG1      ILE   7   7.577  -3.667  -4.583
   82   1HG2  ILE   7          1HG2      ILE   7   9.327  -1.191  -4.023
   83   2HG2  ILE   7          3HG2      ILE   7   8.697  -1.695  -5.592
   84   3HG2  ILE   7          2HG2      ILE   7   8.365  -0.071  -4.989
   85   1HD1  ILE   7          1HD1      ILE   7   9.245  -2.496  -2.796
   86   2HD1  ILE   7          3HD1      ILE   7   8.156  -3.330  -1.687
   87   3HD1  ILE   7          2HD1      ILE   7   9.037  -4.243  -2.911
   88    QG1  ILE   7           QG1      ILE   7   7.021  -3.567  -3.907
   89    QG2  ILE   7           QG2      ILE   7   8.796  -0.986  -4.868
   90    QD1  ILE   7           QD1      ILE   7   8.813  -3.356  -2.465
   91    H    ILE   8           H        ILE   8   7.881   1.241  -1.533
   92    HA   ILE   8           HA       ILE   8   6.157   3.174  -2.921
   93    HB   ILE   8           HB       ILE   8   8.459   3.815  -1.075
   94   1HG1  ILE   8          2HG1      ILE   8   6.627   1.996  -0.218
   95   2HG1  ILE   8          1HG1      ILE   8   7.334   3.194   0.845
   96   1HG2  ILE   8          3HG2      ILE   8   5.996   5.162  -2.097
   97   2HG2  ILE   8          2HG2      ILE   8   6.570   5.597  -0.485
   98   3HG2  ILE   8          1HG2      ILE   8   7.628   5.803  -1.881
   99   1HD1  ILE   8          2HD1      ILE   8   4.729   3.642  -0.631
  100   2HD1  ILE   8          1HD1      ILE   8   4.813   2.962   0.992
  101   3HD1  ILE   8          3HD1      ILE   8   5.395   4.601   0.692
  102    QG1  ILE   8           QG1      ILE   8   6.981   2.595   0.314
  103    QG2  ILE   8           QG2      ILE   8   6.731   5.521  -1.488
  104    QD1  ILE   8           QD1      ILE   8   4.979   3.735   0.351
  105    H    ASN   9           H        ASN   9   6.743   3.998  -4.881
  106    HA   ASN   9           HA       ASN   9   9.660   4.147  -5.560
  107   1HB   ASN   9          2HB       ASN   9   8.218   2.680  -6.946
  108   2HB   ASN   9          1HB       ASN   9   7.179   4.056  -7.311
  109   1HD2  ASN   9          2HD2      ASN   9   9.229   5.126  -9.956
  110   2HD2  ASN   9          1HD2      ASN   9   7.706   5.152  -9.207
  111    QB   ASN   9           QB       ASN   9   7.698   3.368  -7.128
  112    QD2  ASN   9           QD2      ASN   9   8.467   5.139  -9.582
  113    H    GLY  10           H        GLY  10  10.509   6.149  -6.172
  114   1HA   GLY  10          2HA       GLY  10   9.598   8.387  -7.290
  115   2HA   GLY  10          1HA       GLY  10   8.762   8.509  -5.740
  116    QA   GLY  10           QA       GLY  10   9.180   8.448  -6.515
  117    H    LYS  11           H        LYS  11   9.946  10.385  -5.103
  118    HA   LYS  11           HA       LYS  11  12.845   9.884  -4.509
  119   1HB   LYS  11          2HB       LYS  11  13.111  12.330  -4.849
  120   2HB   LYS  11          1HB       LYS  11  12.453  11.542  -6.283
  121   1HG   LYS  11          2HG       LYS  11  10.219  12.284  -5.754
  122   2HG   LYS  11          1HG       LYS  11  10.734  12.876  -4.174
  123   1HD   LYS  11          2HD       LYS  11  12.437  14.286  -5.674
  124   2HD   LYS  11          1HD       LYS  11  11.166  14.069  -6.878
  125   1HE   LYS  11          2HE       LYS  11   9.511  14.917  -5.143
  126   2HE   LYS  11          1HE       LYS  11  10.910  15.364  -4.147
  127   1HZ   LYS  11          3HZ       LYS  11  11.795  16.617  -6.024
  128   2HZ   LYS  11          2HZ       LYS  11  10.430  16.220  -6.953
  129   3HZ   LYS  11          1HZ       LYS  11  10.268  17.204  -5.577
  130    QB   LYS  11           QB       LYS  11  12.782  11.936  -5.566
  131    QG   LYS  11           QG       LYS  11  10.477  12.580  -4.964
  132    QD   LYS  11           QD       LYS  11  11.802  14.178  -6.276
  133    QE   LYS  11           QE       LYS  11  10.211  15.140  -4.645
  134    QZ   LYS  11           QZ       LYS  11  10.831  16.680  -6.185
  135    H    THR  12           H        THR  12  10.084   9.747  -2.901
  136    HA   THR  12           HA       THR  12  10.989  11.427  -0.585
  137    HB   THR  12           HB       THR  12   8.492  11.039   0.041
  138    HG1  THR  12          1HG       THR  12   7.232  10.257  -1.503
  139   1HG2  THR  12          1HG2      THR  12   9.220  12.645  -2.425
  140   2HG2  THR  12          3HG2      THR  12   7.790  12.895  -1.423
  141   3HG2  THR  12          2HG2      THR  12   9.396  13.189  -0.756
  142    QG2  THR  12           QG2      THR  12   8.802  12.910  -1.535
  143    H    LEU  13           H        LEU  13   9.210   8.398  -1.262
  144    HA   LEU  13           HA       LEU  13  10.511   7.185   1.153
  145   1HB   LEU  13          2HB       LEU  13   7.788   7.242   0.006
  146   2HB   LEU  13          1HB       LEU  13   8.321   5.639   0.519
  147    HG   LEU  13           HG       LEU  13   8.458   8.119   2.252
  148   1HD1  LEU  13          2HD1      LEU  13   6.327   6.090   1.765
  149   2HD1  LEU  13          1HD1      LEU  13   6.628   6.530   3.449
  150   3HD1  LEU  13          3HD1      LEU  13   6.185   7.774   2.278
  151   1HD2  LEU  13          3HD2      LEU  13   9.921   5.828   2.475
  152   2HD2  LEU  13          2HD2      LEU  13   9.414   6.794   3.860
  153   3HD2  LEU  13          1HD2      LEU  13   8.482   5.374   3.387
  154    QB   LEU  13           QB       LEU  13   8.055   6.440   0.263
  155    QD1  LEU  13           QD1      LEU  13   6.380   6.798   2.497
  156    QD2  LEU  13           QD2      LEU  13   9.272   5.999   3.241
  157    QQD  LEU  13           QQD      LEU  13   7.826   6.398   2.869
  158    H    LYS  14           H        LYS  14  10.812   4.738   0.880
  159    HA   LYS  14           HA       LYS  14  10.863   3.572  -1.744
  160   1HB   LYS  14          2HB       LYS  14  13.361   3.533  -1.955
  161   2HB   LYS  14          1HB       LYS  14  12.688   5.160  -2.039
  162   1HG   LYS  14          2HG       LYS  14  13.116   4.785   0.687
  163   2HG   LYS  14          1HG       LYS  14  14.506   3.996  -0.055
  164   1HD   LYS  14          2HD       LYS  14  15.142   6.279   0.242
  165   2HD   LYS  14          1HD       LYS  14  14.773   6.104  -1.474
  166   1HE   LYS  14          2HE       LYS  14  12.685   7.212  -1.257
  167   2HE   LYS  14          1HE       LYS  14  12.673   7.017   0.507
  168   1HZ   LYS  14          2HZ       LYS  14  14.710   8.563  -1.011
  169   2HZ   LYS  14          1HZ       LYS  14  13.393   9.257  -0.191
  170   3HZ   LYS  14          3HZ       LYS  14  14.593   8.431   0.679
  171    QB   LYS  14           QB       LYS  14  13.025   4.346  -1.997
  172    QG   LYS  14           QG       LYS  14  13.811   4.390   0.316
  173    QD   LYS  14           QD       LYS  14  14.958   6.192  -0.616
  174    QE   LYS  14           QE       LYS  14  12.679   7.115  -0.375
  175    QZ   LYS  14           QZ       LYS  14  14.232   8.750  -0.174
  176    H    GLY  15           H        GLY  15   9.910   1.799  -0.624
  177   1HA   GLY  15          2HA       GLY  15  11.374  -0.373   0.110
  178   2HA   GLY  15          1HA       GLY  15  11.362   0.553   1.611
  179    QA   GLY  15           QA       GLY  15  11.368   0.090   0.861
  180    H    GLU  16           H        GLU  16  10.202  -1.840   1.796
  181    HA   GLU  16           HA       GLU  16   7.280  -1.540   1.354
  182   1HB   GLU  16          2HB       GLU  16   7.300  -3.953   1.656
  183   2HB   GLU  16          1HB       GLU  16   8.630  -3.511   0.586
  184   1HG   GLU  16          2HG       GLU  16   9.849  -3.359   3.036
  185   2HG   GLU  16          1HG       GLU  16   8.714  -4.681   3.297
  186    QB   GLU  16           QB       GLU  16   7.965  -3.732   1.121
  187    QG   GLU  16           QG       GLU  16   9.282  -4.020   3.166
  188    H    ILE  17           H        ILE  17   5.814  -1.973   3.157
  189    HA   ILE  17           HA       ILE  17   7.029  -1.411   5.845
  190    HB   ILE  17           HB       ILE  17   4.298  -0.730   4.710
  191   1HG1  ILE  17          2HG1      ILE  17   6.216   1.383   5.535
  192   2HG1  ILE  17          1HG1      ILE  17   6.647   0.491   4.076
  193   1HG2  ILE  17          3HG2      ILE  17   4.345  -1.117   7.180
  194   2HG2  ILE  17          2HG2      ILE  17   5.590   0.125   7.316
  195   3HG2  ILE  17          1HG2      ILE  17   3.975   0.555   6.756
  196   1HD1  ILE  17          1HD1      ILE  17   4.372   0.952   3.164
  197   2HD1  ILE  17          3HD1      ILE  17   4.029   1.931   4.590
  198   3HD1  ILE  17          2HD1      ILE  17   5.292   2.427   3.465
  199    QG1  ILE  17           QG1      ILE  17   6.431   0.937   4.806
  200    QG2  ILE  17           QG2      ILE  17   4.637  -0.146   7.084
  201    QD1  ILE  17           QD1      ILE  17   4.564   1.770   3.740
  202    H    THR  18           H        THR  18   5.131  -3.635   3.981
  203    HA   THR  18           HA       THR  18   3.904  -5.565   4.534
  204    HB   THR  18           HB       THR  18   5.119  -6.978   6.113
  205    HG1  THR  18          1HG       THR  18   6.470  -6.167   7.568
  206   1HG2  THR  18          1HG2      THR  18   6.167  -5.908   3.832
  207   2HG2  THR  18          3HG2      THR  18   7.415  -5.490   5.006
  208   3HG2  THR  18          2HG2      THR  18   6.948  -7.175   4.779
  209    QG2  THR  18           QG2      THR  18   6.843  -6.191   4.539
  210    H    ILE  19           H        ILE  19   1.850  -4.875   5.187
  211    HA   ILE  19           HA       ILE  19   1.442  -4.677   8.149
  212    HB   ILE  19           HB       ILE  19  -0.196  -2.882   7.716
  213   1HG1  ILE  19          2HG1      ILE  19   0.269  -1.981   5.154
  214   2HG1  ILE  19          1HG1      ILE  19   0.273  -3.728   4.924
  215   1HG2  ILE  19          1HG2      ILE  19   2.394  -2.533   7.910
  216   2HG2  ILE  19          3HG2      ILE  19   2.275  -2.078   6.210
  217   3HG2  ILE  19          2HG2      ILE  19   1.373  -1.179   7.428
  218   1HD1  ILE  19          1HD1      ILE  19  -1.901  -3.795   6.239
  219   2HD1  ILE  19          3HD1      ILE  19  -1.926  -2.035   6.134
  220   3HD1  ILE  19          2HD1      ILE  19  -2.003  -3.007   4.664
  221    QG1  ILE  19           QG1      ILE  19   0.271  -2.855   5.039
  222    QG2  ILE  19           QG2      ILE  19   2.014  -1.930   7.183
  223    QD1  ILE  19           QD1      ILE  19  -1.943  -2.946   5.679
  224    H    GLU  20           H        GLU  20  -0.165  -6.004   8.889
  225    HA   GLU  20           HA       GLU  20  -1.517  -7.830   7.065
  226   1HB   GLU  20          2HB       GLU  20  -0.699  -7.900   9.645
  227   2HB   GLU  20          1HB       GLU  20  -2.401  -7.502   9.889
  228   1HG   GLU  20          2HG       GLU  20  -3.074  -9.438   8.544
  229   2HG   GLU  20          1HG       GLU  20  -1.381  -9.822   8.223
  230    QB   GLU  20           QB       GLU  20  -1.550  -7.701   9.767
  231    QG   GLU  20           QG       GLU  20  -2.228  -9.630   8.383
  232    H    ALA  21           H        ALA  21  -3.787  -7.920   6.655
  233    HA   ALA  21           HA       ALA  21  -5.592  -5.847   7.693
  234   1HB   ALA  21          3HB       ALA  21  -4.269  -4.667   5.972
  235   2HB   ALA  21          2HB       ALA  21  -4.701  -5.903   4.789
  236   3HB   ALA  21          1HB       ALA  21  -5.945  -4.841   5.453
  237    QB   ALA  21           QB       ALA  21  -4.972  -5.137   5.405
  238    H    VAL  22           H        VAL  22  -7.817  -6.167   6.819
  239    HA   VAL  22           HA       VAL  22  -8.686  -8.843   6.770
  240    HB   VAL  22           HB       VAL  22 -10.085  -6.873   7.259
  241   1HG1  VAL  22          1HG1      VAL  22  -8.933  -5.606   5.245
  242   2HG1  VAL  22          3HG1      VAL  22 -10.286  -6.264   4.327
  243   3HG1  VAL  22          2HG1      VAL  22 -10.586  -5.212   5.709
  244   1HG2  VAL  22          3HG2      VAL  22 -10.917  -9.127   6.040
  245   2HG2  VAL  22          2HG2      VAL  22 -12.023  -7.820   6.463
  246   3HG2  VAL  22          1HG2      VAL  22 -11.406  -7.954   4.817
  247    QG1  VAL  22           QG1      VAL  22  -9.935  -5.694   5.094
  248    QG2  VAL  22           QG2      VAL  22 -11.449  -8.300   5.773
  249    QQG  VAL  22           QQG      VAL  22 -10.692  -6.997   5.434
  250    H    ASP  23           H        ASP  23  -7.732  -6.723   4.117
  251    HA   ASP  23           HA       ASP  23  -7.265  -8.970   2.321
  252   1HB   ASP  23          2HB       ASP  23  -9.020  -8.272   0.690
  253   2HB   ASP  23          1HB       ASP  23  -9.719  -8.785   2.223
  254    QB   ASP  23           QB       ASP  23  -9.370  -8.528   1.457
  255    H    ALA  24           H        ALA  24  -6.752  -7.944   0.007
  256    HA   ALA  24           HA       ALA  24  -4.679  -5.998   0.349
  257   1HB   ALA  24          3HB       ALA  24  -5.365  -7.772  -1.554
  258   2HB   ALA  24          2HB       ALA  24  -6.042  -6.318  -2.289
  259   3HB   ALA  24          1HB       ALA  24  -4.323  -6.390  -1.898
  260    QB   ALA  24           QB       ALA  24  -5.243  -6.827  -1.914
  261    H    ALA  25           H        ALA  25  -8.109  -5.709  -0.395
  262    HA   ALA  25           HA       ALA  25  -8.222  -3.072  -1.407
  263   1HB   ALA  25          1HB       ALA  25 -10.026  -4.942   0.076
  264   2HB   ALA  25          3HB       ALA  25 -10.541  -3.263  -0.088
  265   3HB   ALA  25          2HB       ALA  25 -10.228  -4.233  -1.526
  266    QB   ALA  25           QB       ALA  25 -10.265  -4.146  -0.513
  267    H    GLU  26           H        GLU  26  -8.326  -4.246   1.958
  268    HA   GLU  26           HA       GLU  26  -8.520  -1.611   3.161
  269   1HB   GLU  26          2HB       GLU  26  -9.220  -3.776   4.201
  270   2HB   GLU  26          1HB       GLU  26  -7.526  -4.264   4.267
  271   1HG   GLU  26          2HG       GLU  26  -6.995  -2.690   5.904
  272   2HG   GLU  26          1HG       GLU  26  -8.360  -1.652   5.492
  273    QB   GLU  26           QB       GLU  26  -8.373  -4.020   4.234
  274    QG   GLU  26           QG       GLU  26  -7.677  -2.171   5.698
  275    H    ALA  27           H        ALA  27  -5.845  -3.882   2.532
  276    HA   ALA  27           HA       ALA  27  -3.719  -2.425   3.737
  277   1HB   ALA  27          3HB       ALA  27  -4.124  -4.576   1.782
  278   2HB   ALA  27          2HB       ALA  27  -2.660  -3.643   1.464
  279   3HB   ALA  27          1HB       ALA  27  -2.890  -4.421   3.032
  280    QB   ALA  27           QB       ALA  27  -3.225  -4.213   2.093
  281    H    GLU  28           H        GLU  28  -5.001  -2.294   0.397
  282    HA   GLU  28           HA       GLU  28  -3.230  -0.309  -0.626
  283   1HB   GLU  28          2HB       GLU  28  -5.021  -1.834  -1.756
  284   2HB   GLU  28          1HB       GLU  28  -6.146  -0.530  -1.373
  285   1HG   GLU  28          2HG       GLU  28  -4.242   0.972  -2.459
  286   2HG   GLU  28          1HG       GLU  28  -3.831  -0.535  -3.280
  287    QB   GLU  28           QB       GLU  28  -5.584  -1.182  -1.564
  288    QG   GLU  28           QG       GLU  28  -4.036   0.218  -2.870
  289    H    LYS  29           H        LYS  29  -6.205  -0.043   1.301
  290    HA   LYS  29           HA       LYS  29  -6.460   2.845   1.061
  291   1HB   LYS  29          2HB       LYS  29  -7.494   0.710   2.939
  292   2HB   LYS  29          1HB       LYS  29  -7.896   2.412   3.161
  293   1HG   LYS  29          2HG       LYS  29  -8.431   2.127   0.507
  294   2HG   LYS  29          1HG       LYS  29  -8.824   0.509   1.089
  295   1HD   LYS  29          2HD       LYS  29 -10.853   1.666   1.357
  296   2HD   LYS  29          1HD       LYS  29 -10.135   1.752   2.965
  297   1HE   LYS  29          2HE       LYS  29 -10.293   4.011   2.842
  298   2HE   LYS  29          1HE       LYS  29  -9.109   3.981   1.522
  299   1HZ   LYS  29          2HZ       LYS  29 -12.027   3.503   1.203
  300   2HZ   LYS  29          1HZ       LYS  29 -11.241   4.963   0.834
  301   3HZ   LYS  29          3HZ       LYS  29 -10.875   3.560  -0.044
  302    QB   LYS  29           QB       LYS  29  -7.695   1.561   3.050
  303    QG   LYS  29           QG       LYS  29  -8.628   1.318   0.798
  304    QD   LYS  29           QD       LYS  29 -10.494   1.709   2.161
  305    QE   LYS  29           QE       LYS  29  -9.701   3.996   2.182
  306    QZ   LYS  29           QZ       LYS  29 -11.381   4.009   0.664
  307    H    ILE  30           H        ILE  30  -5.257   0.696   3.656
  308    HA   ILE  30           HA       ILE  30  -4.247   2.694   5.423
  309    HB   ILE  30           HB       ILE  30  -3.313  -0.142   4.808
  310   1HG1  ILE  30          2HG1      ILE  30  -5.087   0.815   7.067
  311   2HG1  ILE  30          1HG1      ILE  30  -5.737   0.250   5.527
  312   1HG2  ILE  30          1HG2      ILE  30  -1.703   1.378   6.129
  313   2HG2  ILE  30          3HG2      ILE  30  -2.924   1.370   7.401
  314   3HG2  ILE  30          2HG2      ILE  30  -2.167  -0.140   6.897
  315   1HD1  ILE  30          1HD1      ILE  30  -3.704  -1.494   6.824
  316   2HD1  ILE  30          3HD1      ILE  30  -5.286  -1.411   7.603
  317   3HD1  ILE  30          2HD1      ILE  30  -5.156  -1.933   5.924
  318    QG1  ILE  30           QG1      ILE  30  -5.412   0.533   6.297
  319    QG2  ILE  30           QG2      ILE  30  -2.265   0.869   6.809
  320    QD1  ILE  30           QD1      ILE  30  -4.715  -1.613   6.784
  321    H    PHE  31           H        PHE  31  -2.889   1.113   2.583
  322    HA   PHE  31           HA       PHE  31  -0.239   2.302   2.810
  323   1HB   PHE  31          2HB       PHE  31  -1.836   0.728   0.801
  324   2HB   PHE  31          1HB       PHE  31  -0.331   1.483   0.289
  325    HD1  PHE  31          1HD       PHE  31   1.431   1.237   2.579
  326    HD2  PHE  31          2HD       PHE  31  -1.466  -1.547   1.072
  327    HE1  PHE  31          1HE       PHE  31   2.700  -0.630   3.593
  328    HE2  PHE  31          2HE       PHE  31  -0.196  -3.415   2.092
  329   1HZ   PHE  31           HZ       PHE  31   1.888  -2.959   3.352
  330    QB   PHE  31           QB       PHE  31  -1.084   1.105   0.545
  331    QG   PHE  31           QD       PHE  31  -0.017  -0.155   1.825
  332    QZ   PHE  31           QE       PHE  31   1.252  -2.022   2.842
  333    QZ   PHE  31           QR       PHE  31   0.871  -1.463   2.538
  334    H    LYS  32           H        LYS  32  -3.222   3.019   1.017
  335    HA   LYS  32           HA       LYS  32  -2.077   5.276  -0.392
  336   1HB   LYS  32          2HB       LYS  32  -4.814   4.075  -0.068
  337   2HB   LYS  32          1HB       LYS  32  -4.572   5.574  -0.962
  338   1HG   LYS  32          2HG       LYS  32  -3.027   4.493  -2.485
  339   2HG   LYS  32          1HG       LYS  32  -3.071   3.004  -1.542
  340   1HD   LYS  32          2HD       LYS  32  -4.552   2.686  -3.411
  341   2HD   LYS  32          1HD       LYS  32  -5.572   2.927  -1.991
  342   1HE   LYS  32          2HE       LYS  32  -6.245   5.054  -2.669
  343   2HE   LYS  32          1HE       LYS  32  -4.777   5.320  -3.630
  344   1HZ   LYS  32          1HZ       LYS  32  -5.499   3.575  -5.145
  345   2HZ   LYS  32          3HZ       LYS  32  -6.916   3.348  -4.242
  346   3HZ   LYS  32          2HZ       LYS  32  -6.660   4.812  -5.064
  347    QB   LYS  32           QB       LYS  32  -4.693   4.825  -0.515
  348    QG   LYS  32           QG       LYS  32  -3.049   3.748  -2.013
  349    QD   LYS  32           QD       LYS  32  -5.062   2.807  -2.701
  350    QE   LYS  32           QE       LYS  32  -5.511   5.187  -3.149
  351    QZ   LYS  32           QZ       LYS  32  -6.358   3.912  -4.817
  352    H    GLN  33           H        GLN  33  -2.746   5.004   2.824
  353    HA   GLN  33           HA       GLN  33  -3.821   7.817   3.040
  354   1HB   GLN  33          2HB       GLN  33  -3.983   5.303   4.684
  355   2HB   GLN  33          1HB       GLN  33  -4.063   6.857   5.510
  356   1HG   GLN  33          2HG       GLN  33  -5.770   6.577   3.097
  357   2HG   GLN  33          1HG       GLN  33  -6.248   5.621   4.501
  358   1HE2  GLN  33          2HE2      GLN  33  -6.751   8.602   6.555
  359   2HE2  GLN  33          1HE2      GLN  33  -6.064   7.055   6.675
  360    QB   GLN  33           QB       GLN  33  -4.023   6.080   5.097
  361    QG   GLN  33           QG       GLN  33  -6.009   6.099   3.799
  362    QE2  GLN  33           QE2      GLN  33  -6.408   7.828   6.615
  363    H    TYR  34           H        TYR  34  -1.598   5.424   4.247
  364    HA   TYR  34           HA       TYR  34   0.177   6.898   5.867
  365   1HB   TYR  34          2HB       TYR  34   0.234   4.536   5.793
  366   2HB   TYR  34          1HB       TYR  34   0.173   4.507   4.027
  367    HD1  TYR  34          1HD       TYR  34   2.268   5.150   2.734
  368    HD2  TYR  34          2HD       TYR  34   2.298   4.582   6.992
  369    HE1  TYR  34          1HE       TYR  34   4.740   4.945   2.689
  370    HE2  TYR  34          2HE       TYR  34   4.770   4.378   6.947
  371    HH   TYR  34           HH       TYR  34   6.519   3.824   4.193
  372    QB   TYR  34           QB       TYR  34   0.203   4.522   4.910
  373    QG   TYR  34           QD       TYR  34   2.283   4.866   4.863
  374    QZ   TYR  34           QE       TYR  34   4.755   4.662   4.818
  375    QR   TYR  34           QR       TYR  34   3.519   4.764   4.841
  376    H    ALA  35           H        ALA  35   0.187   6.331   2.345
  377    HA   ALA  35           HA       ALA  35   2.604   7.685   1.634
  378   1HB   ALA  35          2HB       ALA  35   0.016   6.914   0.320
  379   2HB   ALA  35          1HB       ALA  35   1.116   7.980  -0.553
  380   3HB   ALA  35          3HB       ALA  35   1.655   6.377  -0.047
  381    QB   ALA  35           QB       ALA  35   0.929   7.090  -0.093
  382    H    ASN  36           H        ASN  36  -0.774   8.890   1.678
  383    HA   ASN  36           HA       ASN  36  -0.289  11.554   0.845
  384   1HB   ASN  36          2HB       ASN  36  -2.328  10.155   2.548
  385   2HB   ASN  36          1HB       ASN  36  -2.406  11.906   2.354
  386   1HD2  ASN  36          2HD2      ASN  36  -3.159   9.501  -0.889
  387   2HD2  ASN  36          1HD2      ASN  36  -2.350   8.857   0.458
  388    QB   ASN  36           QB       ASN  36  -2.367  11.030   2.451
  389    QD2  ASN  36           QD2      ASN  36  -2.754   9.179  -0.216
  390    H    ASP  37           H        ASP  37  -0.421  10.257   4.178
  391    HA   ASP  37           HA       ASP  37   0.097  12.665   5.573
  392   1HB   ASP  37          2HB       ASP  37   0.435   9.738   6.044
  393   2HB   ASP  37          1HB       ASP  37   1.201  10.840   7.188
  394    QB   ASP  37           QB       ASP  37   0.818  10.289   6.616
  395    H    ASN  38           H        ASN  38   2.247  10.707   3.698
  396    HA   ASN  38           HA       ASN  38   4.624  12.054   4.809
  397   1HB   ASN  38          2HB       ASN  38   3.987   9.507   3.434
  398   2HB   ASN  38          1HB       ASN  38   5.561  10.212   3.058
  399   1HD2  ASN  38          2HD2      ASN  38   6.877   8.860   6.025
  400   2HD2  ASN  38          1HD2      ASN  38   7.066   9.147   4.362
  401    QB   ASN  38           QB       ASN  38   4.774   9.860   3.246
  402    QD2  ASN  38           QD2      ASN  38   6.972   9.003   5.193
  403    H    GLY  39           H        GLY  39   2.679  11.767   1.907
  404   1HA   GLY  39          2HA       GLY  39   2.681  13.672   0.323
  405   2HA   GLY  39          1HA       GLY  39   4.418  13.817   0.596
  406    QA   GLY  39           QA       GLY  39   3.550  13.745   0.459
  407    H    ILE  40           H        ILE  40   2.848  10.705   0.228
  408    HA   ILE  40           HA       ILE  40   4.469  10.200  -2.212
  409    HB   ILE  40           HB       ILE  40   3.210   8.672   0.023
  410   1HG1  ILE  40          2HG1      ILE  40   5.428   7.495  -0.129
  411   2HG1  ILE  40          1HG1      ILE  40   5.851   8.621  -1.424
  412   1HG2  ILE  40          2HG2      ILE  40   2.336   7.552  -2.060
  413   2HG2  ILE  40          1HG2      ILE  40   4.012   7.263  -2.528
  414   3HG2  ILE  40          3HG2      ILE  40   3.366   6.536  -1.055
  415   1HD1  ILE  40          3HD1      ILE  40   4.887   9.507   1.297
  416   2HD1  ILE  40          2HD1      ILE  40   6.599   9.339   0.882
  417   3HD1  ILE  40          1HD1      ILE  40   5.591  10.510   0.022
  418    QG1  ILE  40           QG1      ILE  40   5.640   8.058  -0.777
  419    QG2  ILE  40           QG2      ILE  40   3.238   7.117  -1.881
  420    QD1  ILE  40           QD1      ILE  40   5.692   9.785   0.733
  421    H    ASP  41           H        ASP  41   3.399  10.778  -4.039
  422    HA   ASP  41           HA       ASP  41   0.675   9.679  -4.511
  423   1HB   ASP  41          2HB       ASP  41   0.482  11.933  -3.432
  424   2HB   ASP  41          1HB       ASP  41   1.360  12.618  -4.800
  425    QB   ASP  41           QB       ASP  41   0.921  12.276  -4.116
  426    H    GLY  42           H        GLY  42   1.094   8.548  -6.378
  427   1HA   GLY  42          2HA       GLY  42   1.831  10.022  -8.788
  428   2HA   GLY  42          1HA       GLY  42   3.042   8.839  -8.302
  429    QA   GLY  42           QA       GLY  42   2.437   9.430  -8.545
  430    H    GLU  43           H        GLU  43   2.604   6.632  -8.615
  431    HA   GLU  43           HA       GLU  43  -0.026   5.992  -9.936
  432   1HB   GLU  43          2HB       GLU  43   2.313   6.108 -11.188
  433   2HB   GLU  43          1HB       GLU  43   2.503   4.493 -10.504
  434   1HG   GLU  43          2HG       GLU  43   0.190   3.969 -11.458
  435   2HG   GLU  43          1HG       GLU  43   0.335   5.472 -12.370
  436    QB   GLU  43           QB       GLU  43   2.408   5.301 -10.846
  437    QG   GLU  43           QG       GLU  43   0.262   4.720 -11.914
  438    H    TRP  44           H        TRP  44  -1.173   4.373  -8.944
  439    HA   TRP  44           HA       TRP  44   0.204   2.639  -6.900
  440   1HB   TRP  44          2HB       TRP  44  -2.572   3.739  -7.324
  441   2HB   TRP  44          1HB       TRP  44  -2.340   2.290  -6.338
  442    HD1  TRP  44           HD       TRP  44  -1.511   6.019  -6.423
  443    HE1  TRP  44          1HE       TRP  44  -0.721   6.721  -4.070
  444    HE3  TRP  44          3HE       TRP  44  -1.296   1.445  -4.194
  445    HZ2  TRP  44          2HZ       TRP  44  -0.070   5.490  -1.569
  446    HZ3  TRP  44          3HZ       TRP  44  -0.583   1.235  -1.822
  447    HH2  TRP  44           HH       TRP  44   0.038   3.252  -0.519
  448    QB   TRP  44           QB       TRP  44  -2.456   3.014  -6.831
  449    H    THR  45           H        THR  45   0.255   0.459  -7.221
  450    HA   THR  45           HA       THR  45  -1.584  -0.793  -9.200
  451    HB   THR  45           HB       THR  45   0.193  -1.745 -10.475
  452    HG1  THR  45          1HG       THR  45   2.356  -1.547  -9.801
  453   1HG2  THR  45          3HG2      THR  45  -0.191   0.669 -10.926
  454   2HG2  THR  45          2HG2      THR  45   1.100   1.058  -9.787
  455   3HG2  THR  45          1HG2      THR  45   1.468   0.176 -11.272
  456    QG2  THR  45           QG2      THR  45   0.792   0.634 -10.662
  457    H    TYR  46           H        TYR  46  -2.270  -2.725  -8.410
  458    HA   TYR  46           HA       TYR  46  -0.958  -3.775  -5.948
  459   1HB   TYR  46          2HB       TYR  46  -3.326  -3.302  -5.797
  460   2HB   TYR  46          1HB       TYR  46  -3.655  -4.213  -7.273
  461    HD1  TYR  46          2HD       TYR  46  -1.780  -4.818  -4.070
  462    HD2  TYR  46          1HD       TYR  46  -4.644  -6.292  -6.910
  463    HE1  TYR  46          2HE       TYR  46  -2.023  -6.896  -2.743
  464    HE2  TYR  46          1HE       TYR  46  -4.884  -8.374  -5.586
  465    HH   TYR  46           HH       TYR  46  -3.299  -9.661  -3.878
  466    QB   TYR  46           QB       TYR  46  -3.490  -3.757  -6.535
  467    QG   TYR  46           QD       TYR  46  -3.212  -5.555  -5.490
  468    QZ   TYR  46           QE       TYR  46  -3.453  -7.635  -4.165
  469    QR   TYR  46           QR       TYR  46  -3.332  -6.595  -4.827
  470    H    ASP  47           H        ASP  47  -0.063  -5.842  -5.905
  471    HA   ASP  47           HA       ASP  47   0.075  -7.305  -8.518
  472   1HB   ASP  47          2HB       ASP  47   1.913  -7.195  -6.103
  473   2HB   ASP  47          1HB       ASP  47   2.194  -8.213  -7.515
  474    QB   ASP  47           QB       ASP  47   2.053  -7.704  -6.809
  475    H    ASP  48           H        ASP  48  -1.659  -8.743  -8.336
  476    HA   ASP  48           HA       ASP  48  -2.421 -10.077  -5.888
  477   1HB   ASP  48          2HB       ASP  48  -3.881 -11.356  -7.442
  478   2HB   ASP  48          1HB       ASP  48  -3.951  -9.622  -7.753
  479    QB   ASP  48           QB       ASP  48  -3.916 -10.489  -7.598
  480    H    ALA  49           H        ALA  49   0.272 -10.604  -7.850
  481    HA   ALA  49           HA       ALA  49   0.332 -13.540  -7.553
  482   1HB   ALA  49          3HB       ALA  49   1.100 -12.118  -9.570
  483   2HB   ALA  49          2HB       ALA  49   2.495 -11.689  -8.579
  484   3HB   ALA  49          1HB       ALA  49   2.208 -13.373  -9.017
  485    QB   ALA  49           QB       ALA  49   1.934 -12.394  -9.055
  486    H    THR  50           H        THR  50   1.648 -10.635  -6.069
  487    HA   THR  50           HA       THR  50   3.068 -12.362  -4.073
  488    HB   THR  50           HB       THR  50   4.846 -10.618  -4.086
  489    HG1  THR  50          1HG       THR  50   4.736  -8.977  -5.558
  490   1HG2  THR  50          3HG2      THR  50   4.709 -12.663  -5.701
  491   2HG2  THR  50          2HG2      THR  50   4.395 -11.447  -6.939
  492   3HG2  THR  50          1HG2      THR  50   5.903 -11.405  -6.023
  493    QG2  THR  50           QG2      THR  50   5.002 -11.838  -6.221
  494    H    LYS  51           H        LYS  51   0.493 -10.383  -4.464
  495    HA   LYS  51           HA       LYS  51  -0.747  -8.976  -3.035
  496   1HB   LYS  51          2HB       LYS  51   1.020 -10.410  -1.022
  497   2HB   LYS  51          1HB       LYS  51  -0.469  -9.553  -0.633
  498   1HG   LYS  51          2HG       LYS  51  -0.718 -11.549  -2.804
  499   2HG   LYS  51          1HG       LYS  51  -0.351 -12.222  -1.217
  500   1HD   LYS  51          2HD       LYS  51  -2.255 -10.805  -0.302
  501   2HD   LYS  51          1HD       LYS  51  -2.695 -10.465  -1.976
  502   1HE   LYS  51          2HE       LYS  51  -4.012 -12.351  -1.579
  503   2HE   LYS  51          1HE       LYS  51  -2.533 -13.134  -2.171
  504   1HZ   LYS  51          2HZ       LYS  51  -1.731 -13.233   0.121
  505   2HZ   LYS  51          1HZ       LYS  51  -3.191 -12.561   0.671
  506   3HZ   LYS  51          3HZ       LYS  51  -3.185 -14.092  -0.058
  507    QB   LYS  51           QB       LYS  51   0.275  -9.981  -0.828
  508    QG   LYS  51           QG       LYS  51  -0.534 -11.885  -2.011
  509    QD   LYS  51           QD       LYS  51  -2.475 -10.635  -1.139
  510    QE   LYS  51           QE       LYS  51  -3.273 -12.742  -1.875
  511    QZ   LYS  51           QZ       LYS  51  -2.702 -13.295   0.244
  512    H    THR  52           H        THR  52   1.498  -7.752  -4.254
  513    HA   THR  52           HA       THR  52   2.405  -5.880  -2.078
  514    HB   THR  52           HB       THR  52   3.892  -6.766  -4.570
  515    HG1  THR  52          1HG       THR  52   4.111  -8.480  -3.358
  516   1HG2  THR  52          2HG2      THR  52   4.742  -5.169  -2.139
  517   2HG2  THR  52          1HG2      THR  52   5.824  -5.710  -3.423
  518   3HG2  THR  52          3HG2      THR  52   4.549  -4.545  -3.777
  519    QG2  THR  52           QG2      THR  52   5.038  -5.141  -3.113
  520    H    PHE  53           H        PHE  53   1.860  -3.765  -2.443
  521    HA   PHE  53           HA       PHE  53   0.585  -3.011  -4.990
  522   1HB   PHE  53          2HB       PHE  53   1.056  -1.661  -2.321
  523   2HB   PHE  53          1HB       PHE  53   0.211  -0.874  -3.655
  524    HD1  PHE  53          1HD       PHE  53   0.116  -3.723  -1.278
  525    HD2  PHE  53          2HD       PHE  53  -2.049  -1.498  -4.257
  526    HE1  PHE  53          1HE       PHE  53  -1.981  -4.886  -0.627
  527    HE2  PHE  53          2HE       PHE  53  -4.132  -2.668  -3.606
  528   1HZ   PHE  53           HZ       PHE  53  -4.100  -4.360  -1.795
  529    QB   PHE  53           QB       PHE  53   0.633  -1.268  -2.988
  530    QG   PHE  53           QD       PHE  53  -0.966  -2.611  -2.767
  531    QZ   PHE  53           QE       PHE  53  -3.056  -3.777  -2.116
  532    QZ   PHE  53           QR       PHE  53  -2.429  -3.427  -2.313
  533    H    THR  54           H        THR  54   1.317  -0.407  -5.482
  534    HA   THR  54           HA       THR  54   4.235  -0.070  -5.300
  535    HB   THR  54           HB       THR  54   3.134  -0.080  -8.082
  536    HG1  THR  54          1HG       THR  54   3.413  -2.299  -8.247
  537   1HG2  THR  54          1HG2      THR  54   5.730  -0.471  -6.678
  538   2HG2  THR  54          3HG2      THR  54   5.511  -1.297  -8.220
  539   3HG2  THR  54          2HG2      THR  54   5.365   0.458  -8.132
  540    QG2  THR  54           QG2      THR  54   5.535  -0.436  -7.677
  541    H    VAL  55           H        VAL  55   3.834   1.948  -4.411
  542    HA   VAL  55           HA       VAL  55   2.027   3.785  -5.898
  543    HB   VAL  55           HB       VAL  55   1.476   3.548  -3.585
  544   1HG1  VAL  55          2HG1      VAL  55   4.406   4.070  -3.028
  545   2HG1  VAL  55          1HG1      VAL  55   3.153   4.117  -1.791
  546   3HG1  VAL  55          3HG1      VAL  55   3.473   2.614  -2.655
  547   1HG2  VAL  55          2HG2      VAL  55   1.429   5.866  -4.488
  548   2HG2  VAL  55          1HG2      VAL  55   1.718   5.825  -2.749
  549   3HG2  VAL  55          3HG2      VAL  55   3.055   6.118  -3.859
  550    QG1  VAL  55           QG1      VAL  55   3.677   3.600  -2.491
  551    QG2  VAL  55           QG2      VAL  55   2.067   5.936  -3.699
  552    QQG  VAL  55           QQG      VAL  55   2.872   4.768  -3.095
  553    H    THR  56           H        THR  56   3.192   4.666  -7.531
  554    HA   THR  56           HA       THR  56   5.952   5.598  -7.183
  555    HB   THR  56           HB       THR  56   3.882   5.286  -9.316
  556    HG1  THR  56          1HG       THR  56   5.298   3.801  -9.634
  557   1HG2  THR  56          1HG2      THR  56   6.199   7.216  -9.653
  558   2HG2  THR  56          3HG2      THR  56   5.139   6.649 -10.945
  559   3HG2  THR  56          2HG2      THR  56   4.488   7.649  -9.645
  560    QG2  THR  56           QG2      THR  56   5.275   7.171 -10.081
  561    H    GLU  57           H        GLU  57   6.337   8.018  -7.852
  562    HA   GLU  57           HA       GLU  57   4.223   9.742  -6.593
  563   1HB   GLU  57          2HB       GLU  57   6.386   9.211  -5.299
  564   2HB   GLU  57          1HB       GLU  57   7.216  10.195  -6.506
  565   1HG   GLU  57          2HG       GLU  57   5.190  11.873  -5.878
  566   2HG   GLU  57          1HG       GLU  57   5.358  11.024  -4.340
  567    QB   GLU  57           QB       GLU  57   6.801   9.703  -5.903
  568    QG   GLU  57           QG       GLU  57   5.274  11.449  -5.109
   
  No H/Q in entry =         568
  Start of MODEL    9
    1   1H    MET   1          2HT       MET   1  -0.254 -16.323   5.673
    2   2H    MET   1          1HT       MET   1  -0.691 -16.725   7.265
    3   3H    MET   1          3HT       MET   1  -1.880 -16.238   6.158
    4    HA   MET   1           HA       MET   1  -1.433 -14.392   7.607
    5   1HB   MET   1          2HB       MET   1   1.319 -15.395   7.030
    6   2HB   MET   1          1HB       MET   1   1.140 -13.664   7.317
    7   1HG   MET   1          2HG       MET   1  -0.133 -14.235   9.424
    8   2HG   MET   1          1HG       MET   1   0.320 -15.919   9.165
    9   1HE   MET   1          3HE       MET   1   1.150 -16.333  10.993
   10   2HE   MET   1          2HE       MET   1   2.902 -16.404  11.150
   11   3HE   MET   1          1HE       MET   1   1.992 -15.203  12.062
   12    QB   MET   1           QB       MET   1   1.229 -14.529   7.173
   13    QG   MET   1           QG       MET   1   0.094 -15.077   9.295
   14    QE   MET   1           QE       MET   1   2.014 -15.980  11.402
   15    H    THR   2           H        THR   2  -1.963 -12.480   6.596
   16    HA   THR   2           HA       THR   2  -1.657 -12.279   3.675
   17    HB   THR   2           HB       THR   2  -2.918 -10.470   5.765
   18    HG1  THR   2          1HG       THR   2  -3.894 -12.492   5.647
   19   1HG2  THR   2          2HG2      THR   2  -2.662 -10.344   2.808
   20   2HG2  THR   2          1HG2      THR   2  -4.246  -9.952   3.476
   21   3HG2  THR   2          3HG2      THR   2  -2.825  -9.035   3.977
   22    QG2  THR   2           QG2      THR   2  -3.244  -9.777   3.420
   23    H    THR   3           H        THR   3  -1.149  -9.752   6.160
   24    HA   THR   3           HA       THR   3   0.467  -8.035   6.279
   25    HB   THR   3           HB       THR   3   2.155 -10.357   5.292
   26    HG1  THR   3          1HG       THR   3   1.531 -11.147   7.125
   27   1HG2  THR   3          2HG2      THR   3   2.811  -7.629   6.011
   28   2HG2  THR   3          1HG2      THR   3   3.544  -8.754   7.156
   29   3HG2  THR   3          3HG2      THR   3   3.875  -8.912   5.431
   30    QG2  THR   3           QG2      THR   3   3.410  -8.432   6.199
   31    H    PHE   4           H        PHE   4  -0.735  -7.119   4.282
   32    HA   PHE   4           HA       PHE   4   0.375  -7.425   1.635
   33   1HB   PHE   4          2HB       PHE   4  -1.473  -5.577   3.091
   34   2HB   PHE   4          1HB       PHE   4  -0.870  -5.063   1.515
   35    HD1  PHE   4          2HD       PHE   4  -1.006  -6.828  -0.406
   36    HD2  PHE   4          1HD       PHE   4  -3.319  -7.023   3.205
   37    HE1  PHE   4          2HE       PHE   4  -2.615  -8.347  -1.520
   38    HE2  PHE   4          1HE       PHE   4  -4.930  -8.541   2.089
   39   1HZ   PHE   4           HZ       PHE   4  -4.578  -9.204  -0.273
   40    QB   PHE   4           QB       PHE   4  -1.172  -5.320   2.303
   41    QG   PHE   4           QD       PHE   4  -2.163  -6.925   1.399
   42    QZ   PHE   4           QE       PHE   4  -3.773  -8.444   0.284
   43    QZ   PHE   4           QR       PHE   4  -3.290  -7.988   0.619
   44    H    LYS   5           H        LYS   5   2.026  -6.275   0.633
   45    HA   LYS   5           HA       LYS   5   3.609  -4.421   2.367
   46   1HB   LYS   5          2HB       LYS   5   4.300  -6.076  -0.082
   47   2HB   LYS   5          1HB       LYS   5   5.440  -5.044   0.780
   48   1HG   LYS   5          2HG       LYS   5   5.888  -6.936   1.970
   49   2HG   LYS   5          1HG       LYS   5   4.421  -6.506   2.849
   50   1HD   LYS   5          2HD       LYS   5   3.085  -7.920   1.348
   51   2HD   LYS   5          1HD       LYS   5   4.533  -8.326   0.424
   52   1HE   LYS   5          2HE       LYS   5   4.623  -8.805   3.375
   53   2HE   LYS   5          1HE       LYS   5   3.664  -9.925   2.387
   54   1HZ   LYS   5          2HZ       LYS   5   5.563 -10.137   0.882
   55   2HZ   LYS   5          1HZ       LYS   5   6.486  -9.132   1.892
   56   3HZ   LYS   5          3HZ       LYS   5   5.964 -10.644   2.453
   57    QB   LYS   5           QB       LYS   5   4.870  -5.560   0.349
   58    QG   LYS   5           QG       LYS   5   5.155  -6.721   2.409
   59    QD   LYS   5           QD       LYS   5   3.809  -8.123   0.886
   60    QE   LYS   5           QE       LYS   5   4.144  -9.365   2.881
   61    QZ   LYS   5           QZ       LYS   5   6.004  -9.971   1.742
   62    H    LEU   6           H        LEU   6   4.957  -2.872   0.784
   63    HA   LEU   6           HA       LEU   6   3.419  -1.853  -1.510
   64   1HB   LEU   6          2HB       LEU   6   2.207  -0.953   0.432
   65   2HB   LEU   6          1HB       LEU   6   3.711  -0.332   1.107
   66    HG   LEU   6           HG       LEU   6   3.905   0.964  -1.159
   67   1HD1  LEU   6          2HD1      LEU   6   1.024   0.080  -1.100
   68   2HD1  LEU   6          1HD1      LEU   6   1.500   1.580  -1.897
   69   3HD1  LEU   6          3HD1      LEU   6   2.160   0.041  -2.448
   70   1HD2  LEU   6          1HD2      LEU   6   3.202   1.721   1.297
   71   2HD2  LEU   6          3HD2      LEU   6   3.074   2.828  -0.070
   72   3HD2  LEU   6          2HD2      LEU   6   1.643   1.978   0.514
   73    QB   LEU   6           QB       LEU   6   2.959  -0.643   0.769
   74    QD1  LEU   6           QD1      LEU   6   1.562   0.567  -1.815
   75    QD2  LEU   6           QD2      LEU   6   2.640   2.176   0.580
   76    QQD  LEU   6           QQD      LEU   6   2.101   1.372  -0.617
   77    H    ILE   7           H        ILE   7   5.187  -1.676  -2.873
   78    HA   ILE   7           HA       ILE   7   7.808  -0.768  -1.867
   79    HB   ILE   7           HB       ILE   7   6.774  -1.429  -4.651
   80   1HG1  ILE   7          2HG1      ILE   7   8.411  -3.125  -2.738
   81   2HG1  ILE   7          1HG1      ILE   7   6.672  -3.307  -2.977
   82   1HG2  ILE   7          1HG2      ILE   7   9.427  -0.637  -3.541
   83   2HG2  ILE   7          3HG2      ILE   7   9.413  -1.902  -4.771
   84   3HG2  ILE   7          2HG2      ILE   7   8.734  -0.314  -5.130
   85   1HD1  ILE   7          1HD1      ILE   7   8.705  -3.482  -5.217
   86   2HD1  ILE   7          3HD1      ILE   7   8.064  -4.885  -4.363
   87   3HD1  ILE   7          2HD1      ILE   7   6.985  -3.860  -5.310
   88    QG1  ILE   7           QG1      ILE   7   7.541  -3.216  -2.857
   89    QG2  ILE   7           QG2      ILE   7   9.191  -0.951  -4.481
   90    QD1  ILE   7           QD1      ILE   7   7.918  -4.076  -4.964
   91    H    ILE   8           H        ILE   8   8.307   1.407  -1.816
   92    HA   ILE   8           HA       ILE   8   6.484   3.240  -3.267
   93    HB   ILE   8           HB       ILE   8   8.663   4.179  -1.434
   94   1HG1  ILE   8          2HG1      ILE   8   7.320   2.215  -0.339
   95   2HG1  ILE   8          1HG1      ILE   8   7.490   3.708   0.560
   96   1HG2  ILE   8          3HG2      ILE   8   6.051   5.121  -2.510
   97   2HG2  ILE   8          2HG2      ILE   8   6.484   5.655  -0.885
   98   3HG2  ILE   8          1HG2      ILE   8   7.554   6.012  -2.242
   99   1HD1  ILE   8          1HD1      ILE   8   5.112   3.456  -1.211
  100   2HD1  ILE   8          3HD1      ILE   8   5.128   2.483   0.257
  101   3HD1  ILE   8          2HD1      ILE   8   5.266   4.240   0.361
  102    QG1  ILE   8           QG1      ILE   8   7.405   2.961   0.110
  103    QG2  ILE   8           QG2      ILE   8   6.696   5.596  -1.879
  104    QD1  ILE   8           QD1      ILE   8   5.168   3.393  -0.198
  105    H    ASN   9           H        ASN   9   7.163   3.853  -5.278
  106    HA   ASN   9           HA       ASN   9  10.055   3.824  -5.953
  107   1HB   ASN   9          2HB       ASN   9   8.459   2.750  -7.453
  108   2HB   ASN   9          1HB       ASN   9   7.486   4.213  -7.519
  109   1HD2  ASN   9          2HD2      ASN   9   9.264   5.361 -10.323
  110   2HD2  ASN   9          1HD2      ASN   9   7.780   5.238  -9.503
  111    QB   ASN   9           QB       ASN   9   7.973   3.481  -7.486
  112    QD2  ASN   9           QD2      ASN   9   8.522   5.299  -9.913
  113    H    GLY  10           H        GLY  10  11.103   5.740  -6.788
  114   1HA   GLY  10          2HA       GLY  10  10.886   8.138  -7.463
  115   2HA   GLY  10          1HA       GLY  10   9.679   8.305  -6.187
  116    QA   GLY  10           QA       GLY  10  10.282   8.222  -6.825
  117    H    LYS  11           H        LYS  11  10.913   9.971  -5.154
  118    HA   LYS  11           HA       LYS  11  13.461   9.037  -3.873
  119   1HB   LYS  11          2HB       LYS  11  14.020  11.465  -3.836
  120   2HB   LYS  11          1HB       LYS  11  13.720  10.880  -5.471
  121   1HG   LYS  11          2HG       LYS  11  11.573  11.887  -5.558
  122   2HG   LYS  11          1HG       LYS  11  11.526  12.125  -3.812
  123   1HD   LYS  11          2HD       LYS  11  13.464  13.704  -4.032
  124   2HD   LYS  11          1HD       LYS  11  13.328  13.552  -5.784
  125   1HE   LYS  11          2HE       LYS  11  10.715  14.130  -4.684
  126   2HE   LYS  11          1HE       LYS  11  11.885  15.336  -4.114
  127   1HZ   LYS  11          1HZ       LYS  11  12.706  15.496  -6.427
  128   2HZ   LYS  11          3HZ       LYS  11  11.438  14.485  -6.925
  129   3HZ   LYS  11          2HZ       LYS  11  11.094  16.009  -6.258
  130    QB   LYS  11           QB       LYS  11  13.870  11.173  -4.654
  131    QG   LYS  11           QG       LYS  11  11.549  12.006  -4.685
  132    QD   LYS  11           QD       LYS  11  13.396  13.628  -4.908
  133    QE   LYS  11           QE       LYS  11  11.300  14.733  -4.399
  134    QZ   LYS  11           QZ       LYS  11  11.746  15.330  -6.537
  135    H    THR  12           H        THR  12  10.271  10.396  -3.324
  136    HA   THR  12           HA       THR  12  10.569  11.454  -0.700
  137    HB   THR  12           HB       THR  12   8.163   9.922  -1.699
  138    HG1  THR  12          1HG       THR  12   8.086  11.222  -3.321
  139   1HG2  THR  12          3HG2      THR  12   8.593  12.390   0.000
  140   2HG2  THR  12          2HG2      THR  12   7.011  11.888  -0.598
  141   3HG2  THR  12          1HG2      THR  12   7.907  10.846   0.508
  142    QG2  THR  12           QG2      THR  12   7.837  11.708  -0.030
  143    H    LEU  13           H        LEU  13   9.273   8.221  -1.557
  144    HA   LEU  13           HA       LEU  13  10.325   7.212   1.069
  145   1HB   LEU  13          2HB       LEU  13   7.721   7.123  -0.288
  146   2HB   LEU  13          1HB       LEU  13   8.264   5.535   0.250
  147    HG   LEU  13           HG       LEU  13   8.097   8.010   1.995
  148   1HD1  LEU  13          3HD1      LEU  13   6.234   5.758   1.384
  149   2HD1  LEU  13          2HD1      LEU  13   6.357   6.257   3.074
  150   3HD1  LEU  13          1HD1      LEU  13   5.875   7.425   1.845
  151   1HD2  LEU  13          1HD2      LEU  13   9.223   5.277   2.340
  152   2HD2  LEU  13          3HD2      LEU  13   9.675   6.787   3.133
  153   3HD2  LEU  13          2HD2      LEU  13   8.258   5.890   3.683
  154    QB   LEU  13           QB       LEU  13   7.992   6.329  -0.019
  155    QD1  LEU  13           QD1      LEU  13   6.155   6.480   2.101
  156    QD2  LEU  13           QD2      LEU  13   9.052   5.984   3.052
  157    QQD  LEU  13           QQD      LEU  13   7.604   6.232   2.577
  158    H    LYS  14           H        LYS  14  10.529   4.695   0.928
  159    HA   LYS  14           HA       LYS  14  10.986   3.404  -1.579
  160   1HB   LYS  14          2HB       LYS  14  13.485   3.371  -1.465
  161   2HB   LYS  14          1HB       LYS  14  12.849   4.999  -1.693
  162   1HG   LYS  14          2HG       LYS  14  12.897   4.813   1.047
  163   2HG   LYS  14          1HG       LYS  14  14.306   3.852   0.605
  164   1HD   LYS  14          2HD       LYS  14  15.075   6.112   0.832
  165   2HD   LYS  14          1HD       LYS  14  15.005   5.780  -0.900
  166   1HE   LYS  14          2HE       LYS  14  12.892   6.952  -1.110
  167   2HE   LYS  14          1HE       LYS  14  12.775   7.142   0.650
  168   1HZ   LYS  14          1HZ       LYS  14  15.060   8.141  -0.961
  169   2HZ   LYS  14          3HZ       LYS  14  13.735   9.106  -0.529
  170   3HZ   LYS  14          2HZ       LYS  14  14.738   8.457   0.678
  171    QB   LYS  14           QB       LYS  14  13.167   4.185  -1.579
  172    QG   LYS  14           QG       LYS  14  13.601   4.333   0.826
  173    QD   LYS  14           QD       LYS  14  15.040   5.946  -0.034
  174    QE   LYS  14           QE       LYS  14  12.833   7.047  -0.230
  175    QZ   LYS  14           QZ       LYS  14  14.511   8.568  -0.271
  176    H    GLY  15           H        GLY  15   9.646   2.027  -0.042
  177   1HA   GLY  15          2HA       GLY  15  11.361  -0.001   1.176
  178   2HA   GLY  15          1HA       GLY  15  10.423   0.908   2.361
  179    QA   GLY  15           QA       GLY  15  10.892   0.454   1.769
  180    H    GLU  16           H        GLU  16   9.689  -1.530   2.535
  181    HA   GLU  16           HA       GLU  16   7.434  -2.049   0.635
  182   1HB   GLU  16          2HB       GLU  16   9.019  -3.807   2.535
  183   2HB   GLU  16          1HB       GLU  16   7.679  -4.380   1.541
  184   1HG   GLU  16          2HG       GLU  16   8.851  -3.951  -0.481
  185   2HG   GLU  16          1HG       GLU  16  10.055  -2.955   0.338
  186    QB   GLU  16           QB       GLU  16   8.349  -4.094   2.038
  187    QG   GLU  16           QG       GLU  16   9.453  -3.453  -0.071
  188    H    ILE  17           H        ILE  17   8.269  -1.531   4.008
  189    HA   ILE  17           HA       ILE  17   6.955  -1.060   5.895
  190    HB   ILE  17           HB       ILE  17   4.678  -0.925   3.890
  191   1HG1  ILE  17          2HG1      ILE  17   5.847   1.612   4.773
  192   2HG1  ILE  17          1HG1      ILE  17   7.023   0.620   3.914
  193   1HG2  ILE  17          1HG2      ILE  17   5.095   0.174   6.676
  194   2HG2  ILE  17          3HG2      ILE  17   3.809   0.725   5.602
  195   3HG2  ILE  17          2HG2      ILE  17   3.850  -0.953   6.142
  196   1HD1  ILE  17          3HD1      ILE  17   4.280   0.857   2.749
  197   2HD1  ILE  17          2HD1      ILE  17   5.368   2.238   2.600
  198   3HD1  ILE  17          1HD1      ILE  17   5.834   0.673   1.934
  199    QG1  ILE  17           QG1      ILE  17   6.435   1.116   4.343
  200    QG2  ILE  17           QG2      ILE  17   4.251  -0.018   6.140
  201    QD1  ILE  17           QD1      ILE  17   5.161   1.256   2.428
  202    H    THR  18           H        THR  18   4.871  -3.090   3.779
  203    HA   THR  18           HA       THR  18   3.797  -5.135   4.189
  204    HB   THR  18           HB       THR  18   5.059  -6.774   5.283
  205    HG1  THR  18          1HG       THR  18   6.309  -4.821   6.890
  206   1HG2  THR  18          3HG2      THR  18   6.399  -5.291   3.564
  207   2HG2  THR  18          2HG2      THR  18   7.334  -4.845   4.992
  208   3HG2  THR  18          1HG2      THR  18   7.229  -6.536   4.499
  209    QG2  THR  18           QG2      THR  18   6.987  -5.557   4.351
  210    H    ILE  19           H        ILE  19   1.825  -5.139   5.083
  211    HA   ILE  19           HA       ILE  19   1.525  -4.765   8.016
  212    HB   ILE  19           HB       ILE  19  -0.224  -3.037   7.626
  213   1HG1  ILE  19          2HG1      ILE  19   0.215  -2.047   5.106
  214   2HG1  ILE  19          1HG1      ILE  19   0.347  -3.782   4.815
  215   1HG2  ILE  19          2HG2      ILE  19   2.236  -2.493   7.986
  216   2HG2  ILE  19          1HG2      ILE  19   2.351  -2.260   6.241
  217   3HG2  ILE  19          3HG2      ILE  19   1.287  -1.230   7.200
  218   1HD1  ILE  19          3HD1      ILE  19  -1.855  -3.753   6.389
  219   2HD1  ILE  19          2HD1      ILE  19  -2.015  -2.170   5.625
  220   3HD1  ILE  19          1HD1      ILE  19  -1.931  -3.626   4.630
  221    QG1  ILE  19           QG1      ILE  19   0.281  -2.914   4.961
  222    QG2  ILE  19           QG2      ILE  19   1.958  -1.994   7.143
  223    QD1  ILE  19           QD1      ILE  19  -1.933  -3.183   5.548
  224    H    GLU  20           H        GLU  20  -0.042  -6.141   8.793
  225    HA   GLU  20           HA       GLU  20  -1.424  -7.948   6.959
  226   1HB   GLU  20          2HB       GLU  20  -1.432  -7.497   9.958
  227   2HB   GLU  20          1HB       GLU  20  -2.335  -8.796   9.178
  228   1HG   GLU  20          2HG       GLU  20  -0.343  -9.819   8.351
  229   2HG   GLU  20          1HG       GLU  20   0.631  -8.401   8.744
  230    QB   GLU  20           QB       GLU  20  -1.883  -8.147   9.568
  231    QG   GLU  20           QG       GLU  20   0.144  -9.110   8.548
  232    H    ALA  21           H        ALA  21  -3.661  -7.992   6.524
  233    HA   ALA  21           HA       ALA  21  -5.482  -6.065   7.816
  234   1HB   ALA  21          1HB       ALA  21  -4.571  -5.886   4.929
  235   2HB   ALA  21          3HB       ALA  21  -5.995  -5.046   5.546
  236   3HB   ALA  21          2HB       ALA  21  -4.396  -4.656   6.181
  237    QB   ALA  21           QB       ALA  21  -4.987  -5.196   5.552
  238    H    VAL  22           H        VAL  22  -7.736  -6.358   6.936
  239    HA   VAL  22           HA       VAL  22  -8.566  -9.039   6.838
  240    HB   VAL  22           HB       VAL  22  -9.989  -7.099   7.366
  241   1HG1  VAL  22          3HG1      VAL  22  -8.896  -5.727   5.442
  242   2HG1  VAL  22          2HG1      VAL  22 -10.127  -6.471   4.422
  243   3HG1  VAL  22          1HG1      VAL  22 -10.606  -5.465   5.788
  244   1HG2  VAL  22          1HG2      VAL  22 -10.845  -9.332   6.239
  245   2HG2  VAL  22          3HG2      VAL  22 -11.952  -7.982   6.482
  246   3HG2  VAL  22          2HG2      VAL  22 -11.234  -8.260   4.894
  247    QG1  VAL  22           QG1      VAL  22  -9.876  -5.887   5.218
  248    QG2  VAL  22           QG2      VAL  22 -11.344  -8.525   5.872
  249    QQG  VAL  22           QQG      VAL  22 -10.610  -7.206   5.545
  250    H    ASP  23           H        ASP  23  -7.835  -6.825   4.160
  251    HA   ASP  23           HA       ASP  23  -7.293  -9.073   2.353
  252   1HB   ASP  23          2HB       ASP  23  -9.060  -8.360   0.738
  253   2HB   ASP  23          1HB       ASP  23  -9.743  -8.917   2.263
  254    QB   ASP  23           QB       ASP  23  -9.401  -8.638   1.501
  255    H    ALA  24           H        ALA  24  -6.841  -8.012   0.037
  256    HA   ALA  24           HA       ALA  24  -4.756  -6.079   0.364
  257   1HB   ALA  24          2HB       ALA  24  -5.478  -7.808  -1.555
  258   2HB   ALA  24          1HB       ALA  24  -6.202  -6.354  -2.240
  259   3HB   ALA  24          3HB       ALA  24  -4.470  -6.403  -1.907
  260    QB   ALA  24           QB       ALA  24  -5.383  -6.855  -1.901
  261    H    ALA  25           H        ALA  25  -8.207  -5.764  -0.275
  262    HA   ALA  25           HA       ALA  25  -8.378  -3.131  -1.262
  263   1HB   ALA  25          2HB       ALA  25 -10.065  -5.094   0.137
  264   2HB   ALA  25          1HB       ALA  25 -10.560  -3.423   0.410
  265   3HB   ALA  25          3HB       ALA  25 -10.460  -4.056  -1.234
  266    QB   ALA  25           QB       ALA  25 -10.361  -4.191  -0.229
  267    H    GLU  26           H        GLU  26  -8.525  -4.215   2.148
  268    HA   GLU  26           HA       GLU  26  -8.532  -1.585   3.310
  269   1HB   GLU  26          2HB       GLU  26  -8.237  -4.406   4.114
  270   2HB   GLU  26          1HB       GLU  26  -7.363  -3.288   5.161
  271   1HG   GLU  26          2HG       GLU  26 -10.284  -2.991   4.402
  272   2HG   GLU  26          1HG       GLU  26  -9.713  -3.687   5.918
  273    QB   GLU  26           QB       GLU  26  -7.800  -3.847   4.637
  274    QG   GLU  26           QG       GLU  26  -9.998  -3.339   5.160
  275    H    ALA  27           H        ALA  27  -5.923  -3.899   2.577
  276    HA   ALA  27           HA       ALA  27  -3.712  -2.479   3.653
  277   1HB   ALA  27          1HB       ALA  27  -4.204  -4.462   1.471
  278   2HB   ALA  27          3HB       ALA  27  -2.627  -3.666   1.502
  279   3HB   ALA  27          2HB       ALA  27  -3.176  -4.599   2.898
  280    QB   ALA  27           QB       ALA  27  -3.336  -4.242   1.957
  281    H    GLU  28           H        GLU  28  -5.110  -2.318   0.353
  282    HA   GLU  28           HA       GLU  28  -3.387  -0.302  -0.693
  283   1HB   GLU  28          2HB       GLU  28  -5.212  -1.829  -1.784
  284   2HB   GLU  28          1HB       GLU  28  -6.320  -0.523  -1.365
  285   1HG   GLU  28          2HG       GLU  28  -4.704   1.063  -2.542
  286   2HG   GLU  28          1HG       GLU  28  -3.889  -0.369  -3.175
  287    QB   GLU  28           QB       GLU  28  -5.766  -1.176  -1.574
  288    QG   GLU  28           QG       GLU  28  -4.296   0.347  -2.858
  289    H    LYS  29           H        LYS  29  -6.379  -0.081   1.230
  290    HA   LYS  29           HA       LYS  29  -6.662   2.793   1.069
  291   1HB   LYS  29          2HB       LYS  29  -7.558   0.684   3.060
  292   2HB   LYS  29          1HB       LYS  29  -8.091   2.363   3.122
  293   1HG   LYS  29          2HG       LYS  29  -8.474   1.545   0.441
  294   2HG   LYS  29          1HG       LYS  29  -9.051   0.208   1.435
  295   1HD   LYS  29          2HD       LYS  29 -10.962   1.519   1.355
  296   2HD   LYS  29          1HD       LYS  29 -10.202   2.163   2.811
  297   1HE   LYS  29          2HE       LYS  29  -8.999   3.694   0.879
  298   2HE   LYS  29          1HE       LYS  29 -10.619   3.463   0.191
  299   1HZ   LYS  29          3HZ       LYS  29 -11.559   4.060   2.357
  300   2HZ   LYS  29          2HZ       LYS  29  -9.997   4.366   2.954
  301   3HZ   LYS  29          1HZ       LYS  29 -10.637   5.329   1.708
  302    QB   LYS  29           QB       LYS  29  -7.825   1.524   3.091
  303    QG   LYS  29           QG       LYS  29  -8.762   0.876   0.938
  304    QD   LYS  29           QD       LYS  29 -10.582   1.841   2.083
  305    QE   LYS  29           QE       LYS  29  -9.809   3.578   0.535
  306    QZ   LYS  29           QZ       LYS  29 -10.731   4.585   2.340
  307    H    ILE  30           H        ILE  30  -5.343   0.653   3.620
  308    HA   ILE  30           HA       ILE  30  -4.338   2.669   5.365
  309    HB   ILE  30           HB       ILE  30  -3.354  -0.142   4.729
  310   1HG1  ILE  30          2HG1      ILE  30  -5.081   0.760   7.043
  311   2HG1  ILE  30          1HG1      ILE  30  -5.778   0.238   5.510
  312   1HG2  ILE  30          3HG2      ILE  30  -2.728   1.770   6.989
  313   2HG2  ILE  30          2HG2      ILE  30  -2.534   0.025   7.165
  314   3HG2  ILE  30          1HG2      ILE  30  -1.597   0.899   5.954
  315   1HD1  ILE  30          1HD1      ILE  30  -3.755  -1.647   6.400
  316   2HD1  ILE  30          3HD1      ILE  30  -4.984  -1.412   7.644
  317   3HD1  ILE  30          2HD1      ILE  30  -5.455  -1.931   6.028
  318    QG1  ILE  30           QG1      ILE  30  -5.429   0.499   6.276
  319    QG2  ILE  30           QG2      ILE  30  -2.286   0.898   6.703
  320    QD1  ILE  30           QD1      ILE  30  -4.731  -1.663   6.691
  321    H    PHE  31           H        PHE  31  -2.882   1.042   2.567
  322    HA   PHE  31           HA       PHE  31  -0.302   2.362   2.760
  323   1HB   PHE  31          2HB       PHE  31  -1.835   0.721   0.753
  324   2HB   PHE  31          1HB       PHE  31  -0.348   1.524   0.250
  325    HD1  PHE  31          1HD       PHE  31   1.458   1.353   2.442
  326    HD2  PHE  31          2HD       PHE  31  -1.456  -1.535   1.168
  327    HE1  PHE  31          1HE       PHE  31   2.790  -0.454   3.493
  328    HE2  PHE  31          2HE       PHE  31  -0.124  -3.343   2.222
  329   1HZ   PHE  31           HZ       PHE  31   2.000  -2.801   3.384
  330    QB   PHE  31           QB       PHE  31  -1.092   1.123   0.501
  331    QG   PHE  31           QD       PHE  31   0.001  -0.091   1.805
  332    QZ   PHE  31           QE       PHE  31   1.333  -1.898   2.858
  333    QZ   PHE  31           QR       PHE  31   0.933  -1.356   2.542
  334    H    LYS  32           H        LYS  32  -3.308   2.969   0.956
  335    HA   LYS  32           HA       LYS  32  -2.290   5.200  -0.556
  336   1HB   LYS  32          2HB       LYS  32  -4.995   4.041   0.061
  337   2HB   LYS  32          1HB       LYS  32  -4.840   5.527  -0.871
  338   1HG   LYS  32          2HG       LYS  32  -3.022   3.404  -1.789
  339   2HG   LYS  32          1HG       LYS  32  -4.724   2.967  -1.921
  340   1HD   LYS  32          2HD       LYS  32  -5.038   5.311  -2.985
  341   2HD   LYS  32          1HD       LYS  32  -3.287   5.290  -3.197
  342   1HE   LYS  32          2HE       LYS  32  -4.018   4.334  -5.217
  343   2HE   LYS  32          1HE       LYS  32  -3.760   2.886  -4.223
  344   1HZ   LYS  32          2HZ       LYS  32  -6.331   4.369  -4.369
  345   2HZ   LYS  32          1HZ       LYS  32  -5.991   2.973  -5.278
  346   3HZ   LYS  32          3HZ       LYS  32  -6.048   2.887  -3.585
  347    QB   LYS  32           QB       LYS  32  -4.918   4.784  -0.405
  348    QG   LYS  32           QG       LYS  32  -3.873   3.186  -1.855
  349    QD   LYS  32           QD       LYS  32  -4.163   5.300  -3.091
  350    QE   LYS  32           QE       LYS  32  -3.889   3.610  -4.720
  351    QZ   LYS  32           QZ       LYS  32  -6.123   3.410  -4.411
  352    H    GLN  33           H        GLN  33  -2.926   4.973   2.742
  353    HA   GLN  33           HA       GLN  33  -3.768   7.865   2.929
  354   1HB   GLN  33          2HB       GLN  33  -3.881   5.474   4.807
  355   2HB   GLN  33          1HB       GLN  33  -4.215   7.121   5.345
  356   1HG   GLN  33          2HG       GLN  33  -6.043   7.314   3.733
  357   2HG   GLN  33          1HG       GLN  33  -5.685   5.707   3.103
  358   1HE2  GLN  33          2HE2      GLN  33  -8.393   5.643   5.813
  359   2HE2  GLN  33          1HE2      GLN  33  -8.189   6.676   4.481
  360    QB   GLN  33           QB       GLN  33  -4.048   6.297   5.076
  361    QG   GLN  33           QG       GLN  33  -5.864   6.511   3.418
  362    QE2  GLN  33           QE2      GLN  33  -8.291   6.160   5.147
  363    H    TYR  34           H        TYR  34  -1.677   5.340   4.105
  364    HA   TYR  34           HA       TYR  34   0.240   6.682   5.664
  365   1HB   TYR  34          2HB       TYR  34   0.184   4.328   5.574
  366   2HB   TYR  34          1HB       TYR  34   0.007   4.312   3.814
  367    HD1  TYR  34          1HD       TYR  34   2.047   4.835   2.390
  368    HD2  TYR  34          2HD       TYR  34   2.321   4.239   6.635
  369    HE1  TYR  34          1HE       TYR  34   4.492   4.477   2.184
  370    HE2  TYR  34          2HE       TYR  34   4.766   3.881   6.428
  371    HH   TYR  34           HH       TYR  34   6.587   4.780   4.403
  372    QB   TYR  34           QB       TYR  34   0.095   4.320   4.694
  373    QG   TYR  34           QD       TYR  34   2.184   4.537   4.513
  374    QZ   TYR  34           QE       TYR  34   4.629   4.179   4.306
  375    QR   TYR  34           QR       TYR  34   3.407   4.358   4.409
  376    H    ALA  35           H        ALA  35  -0.063   6.350   2.137
  377    HA   ALA  35           HA       ALA  35   2.469   7.540   1.388
  378   1HB   ALA  35          3HB       ALA  35  -0.164   6.864   0.115
  379   2HB   ALA  35          2HB       ALA  35   0.936   7.934  -0.760
  380   3HB   ALA  35          1HB       ALA  35   1.458   6.311  -0.307
  381    QB   ALA  35           QB       ALA  35   0.743   7.036  -0.317
  382    H    ASN  36           H        ASN  36  -0.865   8.870   1.460
  383    HA   ASN  36           HA       ASN  36  -0.285  11.525   0.681
  384   1HB   ASN  36          2HB       ASN  36  -2.372  10.175   2.361
  385   2HB   ASN  36          1HB       ASN  36  -2.385  11.931   2.200
  386   1HD2  ASN  36          2HD2      ASN  36  -3.230   9.617  -1.086
  387   2HD2  ASN  36          1HD2      ASN  36  -2.451   8.918   0.251
  388    QB   ASN  36           QB       ASN  36  -2.379  11.053   2.281
  389    QD2  ASN  36           QD2      ASN  36  -2.841   9.267  -0.417
  390    H    ASP  37           H        ASP  37  -0.493  10.217   4.015
  391    HA   ASP  37           HA       ASP  37   0.137  12.586   5.422
  392   1HB   ASP  37          2HB       ASP  37   0.525   9.642   5.905
  393   2HB   ASP  37          1HB       ASP  37   1.070  10.817   7.102
  394    QB   ASP  37           QB       ASP  37   0.797  10.230   6.503
  395    H    ASN  38           H        ASN  38   2.204  10.501   3.585
  396    HA   ASN  38           HA       ASN  38   4.648  11.730   4.670
  397   1HB   ASN  38          2HB       ASN  38   3.874   9.276   3.185
  398   2HB   ASN  38          1HB       ASN  38   5.493   9.905   2.878
  399   1HD2  ASN  38          2HD2      ASN  38   6.454   8.038   5.743
  400   2HD2  ASN  38          1HD2      ASN  38   6.553   8.162   4.052
  401    QB   ASN  38           QB       ASN  38   4.684   9.590   3.031
  402    QD2  ASN  38           QD2      ASN  38   6.504   8.100   4.898
  403    H    GLY  39           H        GLY  39   2.637  11.655   1.801
  404   1HA   GLY  39          2HA       GLY  39   2.706  13.586   0.266
  405   2HA   GLY  39          1HA       GLY  39   4.449  13.666   0.533
  406    QA   GLY  39           QA       GLY  39   3.577  13.626   0.399
  407    H    ILE  40           H        ILE  40   2.761  10.624   0.070
  408    HA   ILE  40           HA       ILE  40   4.370  10.140  -2.380
  409    HB   ILE  40           HB       ILE  40   3.041   8.589  -0.206
  410   1HG1  ILE  40          2HG1      ILE  40   5.214   7.339  -0.377
  411   2HG1  ILE  40          1HG1      ILE  40   5.687   8.478  -1.641
  412   1HG2  ILE  40          1HG2      ILE  40   2.132   7.560  -2.315
  413   2HG2  ILE  40          3HG2      ILE  40   3.797   7.244  -2.804
  414   3HG2  ILE  40          2HG2      ILE  40   3.140   6.481  -1.355
  415   1HD1  ILE  40          2HD1      ILE  40   4.750   9.338   1.100
  416   2HD1  ILE  40          1HD1      ILE  40   6.454   9.108   0.687
  417   3HD1  ILE  40          3HD1      ILE  40   5.503  10.340  -0.148
  418    QG1  ILE  40           QG1      ILE  40   5.450   7.909  -1.009
  419    QG2  ILE  40           QG2      ILE  40   3.023   7.095  -2.158
  420    QD1  ILE  40           QD1      ILE  40   5.569   9.595   0.547
  421    H    ASP  41           H        ASP  41   3.325  10.907  -4.148
  422    HA   ASP  41           HA       ASP  41   0.598   9.888  -4.752
  423   1HB   ASP  41          2HB       ASP  41   0.859  12.281  -3.515
  424   2HB   ASP  41          1HB       ASP  41   1.023  12.798  -5.194
  425    QB   ASP  41           QB       ASP  41   0.941  12.540  -4.354
  426    H    GLY  42           H        GLY  42   1.348   8.800  -6.593
  427   1HA   GLY  42          2HA       GLY  42   1.942  10.442  -8.936
  428   2HA   GLY  42          1HA       GLY  42   3.293   9.430  -8.426
  429    QA   GLY  42           QA       GLY  42   2.618   9.936  -8.681
  430    H    GLU  43           H        GLU  43   2.257   7.059  -7.755
  431    HA   GLU  43           HA       GLU  43   0.359   6.203  -9.897
  432   1HB   GLU  43          2HB       GLU  43   2.739   6.123 -10.705
  433   2HB   GLU  43          1HB       GLU  43   3.098   4.986  -9.404
  434   1HG   GLU  43          2HG       GLU  43   1.617   3.340 -10.310
  435   2HG   GLU  43          1HG       GLU  43   0.909   4.498 -11.436
  436    QB   GLU  43           QB       GLU  43   2.918   5.554 -10.055
  437    QG   GLU  43           QG       GLU  43   1.263   3.919 -10.873
  438    H    TRP  44           H        TRP  44  -0.222   3.817  -9.559
  439    HA   TRP  44           HA       TRP  44   0.229   2.642  -6.879
  440   1HB   TRP  44          2HB       TRP  44  -2.297   4.050  -7.741
  441   2HB   TRP  44          1HB       TRP  44  -2.424   2.612  -6.720
  442    HD1  TRP  44           HD       TRP  44  -1.484   6.259  -6.602
  443    HE1  TRP  44          1HE       TRP  44  -0.840   6.871  -4.178
  444    HE3  TRP  44          3HE       TRP  44  -1.377   1.604  -4.563
  445    HZ2  TRP  44          2HZ       TRP  44  -0.339   5.537  -1.690
  446    HZ3  TRP  44          3HZ       TRP  44  -0.817   1.295  -2.157
  447    HH2  TRP  44           HH       TRP  44  -0.293   3.252  -0.733
  448    QB   TRP  44           QB       TRP  44  -2.361   3.331  -7.230
  449    H    THR  45           H        THR  45   0.324   0.475  -7.257
  450    HA   THR  45           HA       THR  45  -1.570  -0.760  -9.195
  451    HB   THR  45           HB       THR  45   0.174  -1.815 -10.445
  452    HG1  THR  45          1HG       THR  45   1.684  -2.412  -9.064
  453   1HG2  THR  45          2HG2      THR  45  -0.166   0.571 -11.009
  454   2HG2  THR  45          1HG2      THR  45   1.107   1.005  -9.865
  455   3HG2  THR  45          3HG2      THR  45   1.497   0.061 -11.304
  456    QG2  THR  45           QG2      THR  45   0.813   0.546 -10.726
  457    H    TYR  46           H        TYR  46  -2.323  -2.648  -8.363
  458    HA   TYR  46           HA       TYR  46  -1.057  -3.688  -5.881
  459   1HB   TYR  46          2HB       TYR  46  -3.416  -3.208  -5.763
  460   2HB   TYR  46          1HB       TYR  46  -3.733  -4.102  -7.254
  461    HD1  TYR  46          2HD       TYR  46  -1.875  -4.777  -4.061
  462    HD2  TYR  46          1HD       TYR  46  -4.792  -6.155  -6.894
  463    HE1  TYR  46          2HE       TYR  46  -2.152  -6.864  -2.758
  464    HE2  TYR  46          1HE       TYR  46  -5.062  -8.251  -5.593
  465    HH   TYR  46           HH       TYR  46  -3.072  -9.455  -3.616
  466    QB   TYR  46           QB       TYR  46  -3.574  -3.655  -6.508
  467    QG   TYR  46           QD       TYR  46  -3.333  -5.466  -5.477
  468    QZ   TYR  46           QE       TYR  46  -3.607  -7.558  -4.176
  469    QR   TYR  46           QR       TYR  46  -3.470  -6.512  -4.826
  470    H    ASP  47           H        ASP  47  -0.481  -5.924  -5.710
  471    HA   ASP  47           HA       ASP  47  -0.241  -7.400  -8.311
  472   1HB   ASP  47          2HB       ASP  47   1.677  -7.223  -5.961
  473   2HB   ASP  47          1HB       ASP  47   1.924  -8.226  -7.390
  474    QB   ASP  47           QB       ASP  47   1.800  -7.725  -6.675
  475    H    ASP  48           H        ASP  48  -1.989  -8.813  -7.987
  476    HA   ASP  48           HA       ASP  48  -2.613 -10.068  -5.461
  477   1HB   ASP  48          2HB       ASP  48  -4.148 -11.403  -6.892
  478   2HB   ASP  48          1HB       ASP  48  -4.246  -9.680  -7.248
  479    QB   ASP  48           QB       ASP  48  -4.197 -10.541  -7.070
  480    H    ALA  49           H        ALA  49  -0.027 -10.654  -7.546
  481    HA   ALA  49           HA       ALA  49   0.063 -13.577  -7.171
  482   1HB   ALA  49          2HB       ALA  49   0.718 -12.306  -9.275
  483   2HB   ALA  49          1HB       ALA  49   2.097 -11.677  -8.375
  484   3HB   ALA  49          3HB       ALA  49   1.953 -13.410  -8.669
  485    QB   ALA  49           QB       ALA  49   1.589 -12.464  -8.773
  486    H    THR  50           H        THR  50   1.457 -10.628  -5.842
  487    HA   THR  50           HA       THR  50   3.003 -12.304  -3.893
  488    HB   THR  50           HB       THR  50   4.698 -10.477  -3.979
  489    HG1  THR  50          1HG       THR  50   4.445  -8.954  -5.683
  490   1HG2  THR  50          1HG2      THR  50   4.583 -12.531  -5.584
  491   2HG2  THR  50          3HG2      THR  50   4.163 -11.333  -6.808
  492   3HG2  THR  50          2HG2      THR  50   5.704 -11.222  -5.957
  493    QG2  THR  50           QG2      THR  50   4.817 -11.695  -6.116
  494    H    LYS  51           H        LYS  51   0.339 -10.416  -4.168
  495    HA   LYS  51           HA       LYS  51  -0.903  -9.083  -2.672
  496   1HB   LYS  51          2HB       LYS  51   1.014 -10.392  -0.709
  497   2HB   LYS  51          1HB       LYS  51  -0.541  -9.668  -0.304
  498   1HG   LYS  51          2HG       LYS  51  -0.273 -11.929  -2.298
  499   2HG   LYS  51          1HG       LYS  51  -0.540 -12.207  -0.576
  500   1HD   LYS  51          2HD       LYS  51  -2.692 -11.388  -0.634
  501   2HD   LYS  51          1HD       LYS  51  -2.340 -10.262  -1.944
  502   1HE   LYS  51          2HE       LYS  51  -3.500 -11.792  -3.208
  503   2HE   LYS  51          1HE       LYS  51  -1.952 -12.661  -3.210
  504   1HZ   LYS  51          2HZ       LYS  51  -2.620 -13.744  -1.137
  505   2HZ   LYS  51          1HZ       LYS  51  -4.129 -12.967  -1.210
  506   3HZ   LYS  51          3HZ       LYS  51  -3.703 -14.101  -2.396
  507    QB   LYS  51           QB       LYS  51   0.237 -10.030  -0.506
  508    QG   LYS  51           QG       LYS  51  -0.406 -12.068  -1.437
  509    QD   LYS  51           QD       LYS  51  -2.516 -10.825  -1.289
  510    QE   LYS  51           QE       LYS  51  -2.726 -12.227  -3.209
  511    QZ   LYS  51           QZ       LYS  51  -3.484 -13.604  -1.581
  512    H    THR  52           H        THR  52   1.266  -7.759  -3.975
  513    HA   THR  52           HA       THR  52   2.091  -5.821  -1.826
  514    HB   THR  52           HB       THR  52   3.686  -6.761  -4.230
  515    HG1  THR  52          1HG       THR  52   3.806  -7.426  -1.479
  516   1HG2  THR  52          1HG2      THR  52   4.207  -4.848  -1.965
  517   2HG2  THR  52          3HG2      THR  52   5.542  -5.673  -2.772
  518   3HG2  THR  52          2HG2      THR  52   4.474  -4.612  -3.692
  519    QG2  THR  52           QG2      THR  52   4.741  -5.044  -2.810
  520    H    PHE  53           H        PHE  53   1.895  -3.641  -2.379
  521    HA   PHE  53           HA       PHE  53   0.552  -3.034  -4.965
  522   1HB   PHE  53          2HB       PHE  53   0.914  -1.568  -2.338
  523   2HB   PHE  53          1HB       PHE  53   0.124  -0.839  -3.736
  524    HD1  PHE  53          2HD       PHE  53  -0.033  -3.718  -1.368
  525    HD2  PHE  53          1HD       PHE  53  -2.154  -1.340  -4.263
  526    HE1  PHE  53          2HE       PHE  53  -2.159  -4.843  -0.739
  527    HE2  PHE  53          1HE       PHE  53  -4.264  -2.473  -3.632
  528   1HZ   PHE  53           HZ       PHE  53  -4.268  -4.220  -1.876
  529    QB   PHE  53           QB       PHE  53   0.519  -1.204  -3.037
  530    QG   PHE  53           QD       PHE  53  -1.093  -2.529  -2.816
  531    QZ   PHE  53           QE       PHE  53  -3.212  -3.658  -2.186
  532    QZ   PHE  53           QR       PHE  53  -2.576  -3.319  -2.376
  533    H    THR  54           H        THR  54   1.314  -0.454  -5.555
  534    HA   THR  54           HA       THR  54   4.243  -0.181  -5.268
  535    HB   THR  54           HB       THR  54   3.195  -0.213  -8.071
  536    HG1  THR  54          1HG       THR  54   3.882  -2.558  -6.631
  537   1HG2  THR  54          1HG2      THR  54   5.520   0.414  -7.560
  538   2HG2  THR  54          3HG2      THR  54   5.769  -1.149  -6.780
  539   3HG2  THR  54          2HG2      THR  54   5.457  -1.068  -8.515
  540    QG2  THR  54           QG2      THR  54   5.582  -0.601  -7.618
  541    H    VAL  55           H        VAL  55   3.994   1.892  -4.468
  542    HA   VAL  55           HA       VAL  55   2.440   3.796  -6.154
  543    HB   VAL  55           HB       VAL  55   1.470   3.403  -3.955
  544   1HG1  VAL  55          3HG1      VAL  55   4.254   4.092  -2.968
  545   2HG1  VAL  55          2HG1      VAL  55   2.828   4.058  -1.921
  546   3HG1  VAL  55          1HG1      VAL  55   3.359   2.582  -2.732
  547   1HG2  VAL  55          1HG2      VAL  55   2.915   6.064  -4.140
  548   2HG2  VAL  55          3HG2      VAL  55   1.310   5.693  -4.770
  549   3HG2  VAL  55          2HG2      VAL  55   1.588   5.726  -3.027
  550    QG1  VAL  55           QG1      VAL  55   3.480   3.578  -2.540
  551    QG2  VAL  55           QG2      VAL  55   1.938   5.828  -3.979
  552    QQG  VAL  55           QQG      VAL  55   2.709   4.703  -3.260
  553    H    THR  56           H        THR  56   3.346   5.780  -6.658
  554    HA   THR  56           HA       THR  56   6.130   6.307  -5.734
  555    HB   THR  56           HB       THR  56   5.796   5.040  -8.011
  556    HG1  THR  56          1HG       THR  56   7.368   7.387  -8.053
  557   1HG2  THR  56          3HG2      THR  56   4.096   6.651  -8.898
  558   2HG2  THR  56          2HG2      THR  56   5.357   7.881  -8.962
  559   3HG2  THR  56          1HG2      THR  56   5.489   6.433  -9.961
  560    QG2  THR  56           QG2      THR  56   4.981   6.988  -9.274
  561    H    GLU  57           H        GLU  57   6.731   8.656  -6.676
  562    HA   GLU  57           HA       GLU  57   4.304  10.404  -6.398
  563   1HB   GLU  57          2HB       GLU  57   5.673  10.246  -4.326
  564   2HB   GLU  57          1HB       GLU  57   7.084  10.792  -5.232
  565   1HG   GLU  57          2HG       GLU  57   4.640  12.480  -5.420
  566   2HG   GLU  57          1HG       GLU  57   5.497  12.494  -3.879
  567    QB   GLU  57           QB       GLU  57   6.379  10.519  -4.779
  568    QG   GLU  57           QG       GLU  57   5.068  12.487  -4.650
   
  No H/Q in entry =         568
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1   0.421 -13.142   7.478
    2   2H    MET   1          3HT       MET   1  -0.912 -12.773   8.460
    3   3H    MET   1          2HT       MET   1  -0.055 -14.220   8.703
    4    HA   MET   1           HA       MET   1  -0.829 -15.140   6.664
    5   1HB   MET   1          2HB       MET   1  -2.307 -14.574   8.890
    6   2HB   MET   1          1HB       MET   1  -3.316 -13.850   7.636
    7   1HG   MET   1          2HG       MET   1  -4.111 -16.035   7.622
    8   2HG   MET   1          1HG       MET   1  -2.858 -16.132   6.386
    9   1HE   MET   1          2HE       MET   1  -4.287 -17.141   9.563
   10   2HE   MET   1          1HE       MET   1  -4.191 -18.541   8.498
   11   3HE   MET   1          3HE       MET   1  -3.340 -18.544  10.048
   12    QB   MET   1           QB       MET   1  -2.811 -14.212   8.263
   13    QG   MET   1           QG       MET   1  -3.485 -16.084   7.004
   14    QE   MET   1           QE       MET   1  -3.939 -18.075   9.370
   15    H    THR   2           H        THR   2  -2.425 -11.953   7.089
   16    HA   THR   2           HA       THR   2  -2.510 -11.684   4.104
   17    HB   THR   2           HB       THR   2  -4.124 -10.314   6.281
   18    HG1  THR   2          1HG       THR   2  -5.333 -12.013   6.238
   19   1HG2  THR   2          3HG2      THR   2  -4.114 -10.241   3.286
   20   2HG2  THR   2          2HG2      THR   2  -5.652 -10.081   4.133
   21   3HG2  THR   2          1HG2      THR   2  -4.355  -8.925   4.437
   22    QG2  THR   2           QG2      THR   2  -4.707  -9.749   3.952
   23    H    THR   3           H        THR   3  -0.213 -10.992   5.957
   24    HA   THR   3           HA       THR   3  -0.030  -8.161   6.351
   25    HB   THR   3           HB       THR   3   2.283  -9.988   5.691
   26    HG1  THR   3          1HG       THR   3   1.740 -11.205   7.291
   27   1HG2  THR   3          1HG2      THR   3   2.262  -7.402   6.437
   28   2HG2  THR   3          3HG2      THR   3   2.211  -8.155   8.031
   29   3HG2  THR   3          2HG2      THR   3   3.536  -8.518   6.926
   30    QG2  THR   3           QG2      THR   3   2.669  -8.025   7.131
   31    H    PHE   4           H        PHE   4  -0.719  -7.045   4.460
   32    HA   PHE   4           HA       PHE   4   0.410  -7.620   1.825
   33   1HB   PHE   4          2HB       PHE   4  -1.400  -5.584   3.094
   34   2HB   PHE   4          1HB       PHE   4  -0.770  -5.283   1.474
   35    HD1  PHE   4          1HD       PHE   4  -0.953  -7.314  -0.205
   36    HD2  PHE   4          2HD       PHE   4  -3.349  -6.851   3.329
   37    HE1  PHE   4          1HE       PHE   4  -2.647  -8.856  -1.152
   38    HE2  PHE   4          2HE       PHE   4  -5.043  -8.391   2.377
   39   1HZ   PHE   4           HZ       PHE   4  -4.693  -9.394   0.140
   40    QB   PHE   4           QB       PHE   4  -1.085  -5.433   2.284
   41    QG   PHE   4           QD       PHE   4  -2.151  -7.083   1.562
   42    QZ   PHE   4           QE       PHE   4  -3.845  -8.623   0.612
   43    QZ   PHE   4           QR       PHE   4  -3.337  -8.161   0.898
   44    H    LYS   5           H        LYS   5   1.957  -6.322   0.710
   45    HA   LYS   5           HA       LYS   5   3.665  -4.629   2.488
   46   1HB   LYS   5          2HB       LYS   5   4.324  -6.822   1.110
   47   2HB   LYS   5          1HB       LYS   5   4.528  -5.646  -0.190
   48   1HG   LYS   5          2HG       LYS   5   6.298  -4.600   0.844
   49   2HG   LYS   5          1HG       LYS   5   5.711  -4.973   2.464
   50   1HD   LYS   5          2HD       LYS   5   7.671  -6.325   2.088
   51   2HD   LYS   5          1HD       LYS   5   6.272  -7.396   2.010
   52   1HE   LYS   5          2HE       LYS   5   6.353  -7.508  -0.372
   53   2HE   LYS   5          1HE       LYS   5   7.465  -6.128  -0.472
   54   1HZ   LYS   5          3HZ       LYS   5   8.056  -8.717   0.865
   55   2HZ   LYS   5          2HZ       LYS   5   8.652  -8.244  -0.653
   56   3HZ   LYS   5          1HZ       LYS   5   9.112  -7.397   0.746
   57    QB   LYS   5           QB       LYS   5   4.426  -6.234   0.460
   58    QG   LYS   5           QG       LYS   5   6.004  -4.787   1.654
   59    QD   LYS   5           QD       LYS   5   6.971  -6.860   2.049
   60    QE   LYS   5           QE       LYS   5   6.909  -6.818  -0.422
   61    QZ   LYS   5           QZ       LYS   5   8.607  -8.119   0.320
   62    H    LEU   6           H        LEU   6   5.025  -3.060   0.801
   63    HA   LEU   6           HA       LEU   6   3.341  -1.880  -1.296
   64   1HB   LEU   6          2HB       LEU   6   2.289  -1.079   0.792
   65   2HB   LEU   6          1HB       LEU   6   3.841  -0.447   1.338
   66    HG   LEU   6           HG       LEU   6   3.809   0.879  -0.922
   67   1HD1  LEU   6          3HD1      LEU   6   1.025  -0.181  -0.663
   68   2HD1  LEU   6          2HD1      LEU   6   1.236   1.466  -1.257
   69   3HD1  LEU   6          1HD1      LEU   6   1.980   0.119  -2.116
   70   1HD2  LEU   6          2HD2      LEU   6   3.302   1.574   1.624
   71   2HD2  LEU   6          1HD2      LEU   6   3.122   2.714   0.292
   72   3HD2  LEU   6          3HD2      LEU   6   1.709   1.886   0.938
   73    QB   LEU   6           QB       LEU   6   3.065  -0.763   1.065
   74    QD1  LEU   6           QD1      LEU   6   1.414   0.468  -1.345
   75    QD2  LEU   6           QD2      LEU   6   2.711   2.058   0.951
   76    QQD  LEU   6           QQD      LEU   6   2.062   1.263  -0.197
   77    H    ILE   7           H        ILE   7   5.179  -1.987  -2.649
   78    HA   ILE   7           HA       ILE   7   7.783  -0.944  -1.803
   79    HB   ILE   7           HB       ILE   7   6.649  -1.746  -4.512
   80   1HG1  ILE   7          2HG1      ILE   7   8.387  -3.324  -2.588
   81   2HG1  ILE   7          1HG1      ILE   7   6.644  -3.537  -2.745
   82   1HG2  ILE   7          2HG2      ILE   7   9.395  -1.003  -3.537
   83   2HG2  ILE   7          1HG2      ILE   7   9.221  -2.170  -4.848
   84   3HG2  ILE   7          3HG2      ILE   7   8.581  -0.536  -5.031
   85   1HD1  ILE   7          1HD1      ILE   7   7.004  -3.986  -5.203
   86   2HD1  ILE   7          3HD1      ILE   7   8.738  -3.989  -4.885
   87   3HD1  ILE   7          2HD1      ILE   7   7.703  -5.203  -4.134
   88    QG1  ILE   7           QG1      ILE   7   7.515  -3.431  -2.667
   89    QG2  ILE   7           QG2      ILE   7   9.066  -1.236  -4.472
   90    QD1  ILE   7           QD1      ILE   7   7.815  -4.393  -4.741
   91    H    ILE   8           H        ILE   8   8.069   1.253  -1.673
   92    HA   ILE   8           HA       ILE   8   6.223   3.031  -3.096
   93    HB   ILE   8           HB       ILE   8   8.665   3.841  -1.514
   94   1HG1  ILE   8          2HG1      ILE   8   7.244   2.179  -0.212
   95   2HG1  ILE   8          1HG1      ILE   8   7.390   3.754   0.537
   96   1HG2  ILE   8          1HG2      ILE   8   6.038   5.107  -2.300
   97   2HG2  ILE   8          3HG2      ILE   8   6.999   5.747  -0.962
   98   3HG2  ILE   8          2HG2      ILE   8   7.680   5.700  -2.588
   99   1HD1  ILE   8          1HD1      ILE   8   5.126   3.783  -1.211
  100   2HD1  ILE   8          3HD1      ILE   8   5.018   2.365  -0.175
  101   3HD1  ILE   8          2HD1      ILE   8   5.160   3.973   0.538
  102    QG1  ILE   8           QG1      ILE   8   7.317   2.966   0.163
  103    QG2  ILE   8           QG2      ILE   8   6.906   5.518  -1.950
  104    QD1  ILE   8           QD1      ILE   8   5.101   3.374  -0.282
  105    H    ASN   9           H        ASN   9   6.642   3.363  -5.252
  106    HA   ASN   9           HA       ASN   9   9.379   3.232  -6.332
  107   1HB   ASN   9          2HB       ASN   9   7.413   2.270  -7.471
  108   2HB   ASN   9          1HB       ASN   9   6.678   3.865  -7.541
  109   1HD2  ASN   9          2HD2      ASN   9   8.172   4.310 -10.714
  110   2HD2  ASN   9          1HD2      ASN   9   6.741   4.325  -9.798
  111    QB   ASN   9           QB       ASN   9   7.046   3.067  -7.506
  112    QD2  ASN   9           QD2      ASN   9   7.457   4.317 -10.256
  113    H    GLY  10           H        GLY  10   7.896   5.634  -4.639
  114   1HA   GLY  10          2HA       GLY  10   8.598   7.855  -6.463
  115   2HA   GLY  10          1HA       GLY  10   7.773   8.015  -4.912
  116    QA   GLY  10           QA       GLY  10   8.186   7.935  -5.688
  117    H    LYS  11           H        LYS  11   9.594   9.789  -4.914
  118    HA   LYS  11           HA       LYS  11  12.135   8.620  -3.838
  119   1HB   LYS  11          2HB       LYS  11  13.069  10.852  -4.454
  120   2HB   LYS  11          1HB       LYS  11  12.352  10.025  -5.836
  121   1HG   LYS  11          2HG       LYS  11  10.626  11.525  -6.012
  122   2HG   LYS  11          1HG       LYS  11  10.536  11.787  -4.272
  123   1HD   LYS  11          2HD       LYS  11  12.903  12.909  -4.634
  124   2HD   LYS  11          1HD       LYS  11  12.326  13.089  -6.292
  125   1HE   LYS  11          2HE       LYS  11  10.536  13.905  -4.010
  126   2HE   LYS  11          1HE       LYS  11  11.810  15.005  -4.574
  127   1HZ   LYS  11          2HZ       LYS  11   9.858  13.661  -6.366
  128   2HZ   LYS  11          1HZ       LYS  11   9.679  15.252  -5.798
  129   3HZ   LYS  11          3HZ       LYS  11  10.990  14.853  -6.798
  130    QB   LYS  11           QB       LYS  11  12.710  10.438  -5.145
  131    QG   LYS  11           QG       LYS  11  10.581  11.656  -5.142
  132    QD   LYS  11           QD       LYS  11  12.614  12.999  -5.463
  133    QE   LYS  11           QE       LYS  11  11.173  14.455  -4.292
  134    QZ   LYS  11           QZ       LYS  11  10.176  14.589  -6.320
  135    H    THR  12           H        THR  12   9.514   9.117  -2.370
  136    HA   THR  12           HA       THR  12  10.592  10.963  -0.262
  137    HB   THR  12           HB       THR  12   8.047  11.336   0.121
  138    HG1  THR  12          1HG       THR  12   6.861  10.988  -1.820
  139   1HG2  THR  12          2HG2      THR  12   9.791  12.375  -2.061
  140   2HG2  THR  12          1HG2      THR  12   8.084  12.819  -2.109
  141   3HG2  THR  12          3HG2      THR  12   9.063  13.229  -0.700
  142    QG2  THR  12           QG2      THR  12   8.979  12.807  -1.623
  143    H    LEU  13           H        LEU  13  10.633   7.911  -0.649
  144    HA   LEU  13           HA       LEU  13  10.091   7.190   2.103
  145   1HB   LEU  13          2HB       LEU  13   7.936   7.122   0.176
  146   2HB   LEU  13          1HB       LEU  13   8.297   5.479   0.698
  147    HG   LEU  13           HG       LEU  13   7.755   7.826   2.539
  148   1HD1  LEU  13          3HD1      LEU  13   6.070   5.610   1.415
  149   2HD1  LEU  13          2HD1      LEU  13   5.763   6.148   3.068
  150   3HD1  LEU  13          1HD1      LEU  13   5.642   7.293   1.733
  151   1HD2  LEU  13          1HD2      LEU  13   8.484   4.930   2.987
  152   2HD2  LEU  13          3HD2      LEU  13   9.164   6.368   3.749
  153   3HD2  LEU  13          2HD2      LEU  13   7.549   5.815   4.192
  154    QB   LEU  13           QB       LEU  13   8.117   6.301   0.437
  155    QD1  LEU  13           QD1      LEU  13   5.825   6.350   2.072
  156    QD2  LEU  13           QD2      LEU  13   8.399   5.705   3.643
  157    QQD  LEU  13           QQD      LEU  13   7.112   6.027   2.857
  158    H    LYS  14           H        LYS  14   9.725   5.437  -0.998
  159    HA   LYS  14           HA       LYS  14  10.858   3.544  -1.845
  160   1HB   LYS  14          2HB       LYS  14  12.905   5.302  -0.533
  161   2HB   LYS  14          1HB       LYS  14  13.415   3.730  -1.151
  162   1HG   LYS  14          2HG       LYS  14  11.701   5.297  -2.987
  163   2HG   LYS  14          1HG       LYS  14  13.290   5.994  -2.673
  164   1HD   LYS  14          2HD       LYS  14  13.217   3.071  -3.210
  165   2HD   LYS  14          1HD       LYS  14  12.872   4.128  -4.578
  166   1HE   LYS  14          2HE       LYS  14  15.255   4.674  -2.807
  167   2HE   LYS  14          1HE       LYS  14  15.364   3.505  -4.139
  168   1HZ   LYS  14          3HZ       LYS  14  14.302   6.265  -4.424
  169   2HZ   LYS  14          2HZ       LYS  14  15.894   5.818  -4.816
  170   3HZ   LYS  14          1HZ       LYS  14  14.587   5.151  -5.671
  171    QB   LYS  14           QB       LYS  14  13.160   4.516  -0.842
  172    QG   LYS  14           QG       LYS  14  12.495   5.645  -2.830
  173    QD   LYS  14           QD       LYS  14  13.045   3.599  -3.894
  174    QE   LYS  14           QE       LYS  14  15.310   4.089  -3.473
  175    QZ   LYS  14           QZ       LYS  14  14.928   5.745  -4.970
  176    H    GLY  15           H        GLY  15   9.895   1.814  -0.697
  177   1HA   GLY  15          2HA       GLY  15  11.445   0.139   0.893
  178   2HA   GLY  15          1HA       GLY  15  10.605   1.177   2.045
  179    QA   GLY  15           QA       GLY  15  11.025   0.658   1.469
  180    H    GLU  16           H        GLU  16  10.322  -1.769   1.358
  181    HA   GLU  16           HA       GLU  16   7.494  -1.859   0.436
  182   1HB   GLU  16          2HB       GLU  16   8.030  -4.176  -0.031
  183   2HB   GLU  16          1HB       GLU  16   9.362  -3.177  -0.605
  184   1HG   GLU  16          2HG       GLU  16  10.200  -3.671   1.933
  185   2HG   GLU  16          1HG       GLU  16   9.309  -5.155   1.597
  186    QB   GLU  16           QB       GLU  16   8.696  -3.677  -0.318
  187    QG   GLU  16           QG       GLU  16   9.754  -4.413   1.765
  188    H    ILE  17           H        ILE  17   7.322  -0.794   2.853
  189    HA   ILE  17           HA       ILE  17   7.538  -2.422   5.174
  190    HB   ILE  17           HB       ILE  17   5.825  -0.835   6.077
  191   1HG1  ILE  17          2HG1      ILE  17   5.774   0.584   3.443
  192   2HG1  ILE  17          1HG1      ILE  17   4.714  -0.811   3.646
  193   1HG2  ILE  17          3HG2      ILE  17   8.093   0.221   4.383
  194   2HG2  ILE  17          2HG2      ILE  17   7.126   1.277   5.412
  195   3HG2  ILE  17          1HG2      ILE  17   8.061  -0.036   6.128
  196   1HD1  ILE  17          2HD1      ILE  17   4.814   1.328   5.759
  197   2HD1  ILE  17          1HD1      ILE  17   3.819   1.548   4.319
  198   3HD1  ILE  17          3HD1      ILE  17   3.518   0.187   5.399
  199    QG1  ILE  17           QG1      ILE  17   5.244  -0.113   3.545
  200    QG2  ILE  17           QG2      ILE  17   7.760   0.487   5.308
  201    QD1  ILE  17           QD1      ILE  17   4.050   1.021   5.159
  202    H    THR  18           H        THR  18   6.033  -3.819   6.211
  203    HA   THR  18           HA       THR  18   3.836  -4.838   4.443
  204    HB   THR  18           HB       THR  18   4.274  -6.939   5.898
  205    HG1  THR  18          1HG       THR  18   5.511  -5.909   7.475
  206   1HG2  THR  18          3HG2      THR  18   4.990  -6.600   3.509
  207   2HG2  THR  18          2HG2      THR  18   6.525  -5.978   4.116
  208   3HG2  THR  18          1HG2      THR  18   6.062  -7.651   4.436
  209    QG2  THR  18           QG2      THR  18   5.859  -6.743   4.021
  210    H    ILE  19           H        ILE  19   1.777  -4.884   5.277
  211    HA   ILE  19           HA       ILE  19   1.414  -4.529   8.224
  212    HB   ILE  19           HB       ILE  19  -0.270  -2.773   7.765
  213   1HG1  ILE  19          2HG1      ILE  19   0.140  -1.879   5.222
  214   2HG1  ILE  19          1HG1      ILE  19   0.281  -3.618   4.972
  215   1HG2  ILE  19          2HG2      ILE  19   2.202  -2.266   8.086
  216   2HG2  ILE  19          1HG2      ILE  19   2.314  -2.113   6.331
  217   3HG2  ILE  19          3HG2      ILE  19   1.279  -1.018   7.249
  218   1HD1  ILE  19          1HD1      ILE  19  -1.899  -3.860   6.263
  219   2HD1  ILE  19          3HD1      ILE  19  -2.057  -2.107   6.163
  220   3HD1  ILE  19          2HD1      ILE  19  -2.039  -3.076   4.691
  221    QG1  ILE  19           QG1      ILE  19   0.211  -2.748   5.097
  222    QG2  ILE  19           QG2      ILE  19   1.932  -1.799   7.222
  223    QD1  ILE  19           QD1      ILE  19  -1.998  -3.014   5.706
  224    H    GLU  20           H        GLU  20  -0.462  -5.528   9.033
  225    HA   GLU  20           HA       GLU  20  -1.672  -7.586   7.323
  226   1HB   GLU  20          2HB       GLU  20  -2.739  -8.238   9.470
  227   2HB   GLU  20          1HB       GLU  20  -1.000  -8.012   9.654
  228   1HG   GLU  20          2HG       GLU  20  -2.482  -5.525  10.091
  229   2HG   GLU  20          1HG       GLU  20  -2.985  -6.800  11.198
  230    QB   GLU  20           QB       GLU  20  -1.869  -8.125   9.562
  231    QG   GLU  20           QG       GLU  20  -2.734  -6.162  10.644
  232    H    ALA  21           H        ALA  21  -3.996  -7.769   6.985
  233    HA   ALA  21           HA       ALA  21  -5.820  -5.611   7.697
  234   1HB   ALA  21          3HB       ALA  21  -4.245  -4.707   5.880
  235   2HB   ALA  21          2HB       ALA  21  -5.034  -5.841   4.784
  236   3HB   ALA  21          1HB       ALA  21  -5.972  -4.562   5.555
  237    QB   ALA  21           QB       ALA  21  -5.083  -5.037   5.406
  238    H    VAL  22           H        VAL  22  -7.998  -6.037   6.849
  239    HA   VAL  22           HA       VAL  22  -8.823  -8.723   6.852
  240    HB   VAL  22           HB       VAL  22 -10.259  -6.762   7.254
  241   1HG1  VAL  22          3HG1      VAL  22  -9.113  -5.478   5.295
  242   2HG1  VAL  22          2HG1      VAL  22 -10.325  -6.263   4.281
  243   3HG1  VAL  22          1HG1      VAL  22 -10.829  -5.196   5.593
  244   1HG2  VAL  22          3HG2      VAL  22 -11.145  -8.440   4.884
  245   2HG2  VAL  22          2HG2      VAL  22 -11.359  -8.849   6.586
  246   3HG2  VAL  22          1HG2      VAL  22 -12.220  -7.474   5.896
  247    QG1  VAL  22           QG1      VAL  22 -10.089  -5.646   5.056
  248    QG2  VAL  22           QG2      VAL  22 -11.575  -8.254   5.789
  249    QQG  VAL  22           QQG      VAL  22 -10.832  -6.950   5.423
  250    H    ASP  23           H        ASP  23  -8.018  -6.628   4.101
  251    HA   ASP  23           HA       ASP  23  -7.475  -8.965   2.399
  252   1HB   ASP  23          2HB       ASP  23  -9.889  -7.198   2.178
  253   2HB   ASP  23          1HB       ASP  23  -9.153  -7.802   0.693
  254    QB   ASP  23           QB       ASP  23  -9.521  -7.500   1.435
  255    H    ALA  24           H        ALA  24  -6.796  -8.067   0.119
  256    HA   ALA  24           HA       ALA  24  -4.708  -6.153   0.450
  257   1HB   ALA  24          1HB       ALA  24  -5.305  -7.973  -1.396
  258   2HB   ALA  24          3HB       ALA  24  -6.041  -6.588  -2.203
  259   3HB   ALA  24          2HB       ALA  24  -4.321  -6.566  -1.806
  260    QB   ALA  24           QB       ALA  24  -5.222  -7.042  -1.802
  261    H    ALA  25           H        ALA  25  -8.073  -5.796  -0.622
  262    HA   ALA  25           HA       ALA  25  -8.055  -3.170  -1.628
  263   1HB   ALA  25          3HB       ALA  25 -10.045  -4.843  -0.098
  264   2HB   ALA  25          2HB       ALA  25 -10.462  -3.216  -0.639
  265   3HB   ALA  25          1HB       ALA  25 -10.032  -4.455  -1.819
  266    QB   ALA  25           QB       ALA  25 -10.180  -4.171  -0.852
  267    H    GLU  26           H        GLU  26  -8.480  -4.260   1.748
  268    HA   GLU  26           HA       GLU  26  -8.672  -1.621   2.899
  269   1HB   GLU  26          2HB       GLU  26  -8.960  -4.262   3.707
  270   2HB   GLU  26          1HB       GLU  26  -7.500  -3.759   4.558
  271   1HG   GLU  26          2HG       GLU  26  -9.900  -1.953   4.565
  272   2HG   GLU  26          1HG       GLU  26  -9.856  -3.338   5.655
  273    QB   GLU  26           QB       GLU  26  -8.230  -4.011   4.133
  274    QG   GLU  26           QG       GLU  26  -9.878  -2.645   5.110
  275    H    ALA  27           H        ALA  27  -5.955  -3.915   2.501
  276    HA   ALA  27           HA       ALA  27  -3.899  -2.414   3.752
  277   1HB   ALA  27          3HB       ALA  27  -4.170  -4.547   1.724
  278   2HB   ALA  27          2HB       ALA  27  -2.666  -3.626   1.605
  279   3HB   ALA  27          1HB       ALA  27  -3.083  -4.451   3.110
  280    QB   ALA  27           QB       ALA  27  -3.307  -4.208   2.146
  281    H    GLU  28           H        GLU  28  -5.198  -2.208   0.444
  282    HA   GLU  28           HA       GLU  28  -3.313  -0.330  -0.597
  283   1HB   GLU  28          2HB       GLU  28  -5.155  -1.776  -1.732
  284   2HB   GLU  28          1HB       GLU  28  -6.231  -0.429  -1.358
  285   1HG   GLU  28          2HG       GLU  28  -4.162   0.945  -2.425
  286   2HG   GLU  28          1HG       GLU  28  -3.986  -0.569  -3.314
  287    QB   GLU  28           QB       GLU  28  -5.693  -1.102  -1.545
  288    QG   GLU  28           QG       GLU  28  -4.074   0.188  -2.870
  289    H    LYS  29           H        LYS  29  -6.401   0.168   1.194
  290    HA   LYS  29           HA       LYS  29  -6.242   3.062   0.919
  291   1HB   LYS  29          2HB       LYS  29  -8.273   3.059   2.081
  292   2HB   LYS  29          1HB       LYS  29  -8.280   1.484   1.308
  293   1HG   LYS  29          2HG       LYS  29  -8.660   0.590   3.338
  294   2HG   LYS  29          1HG       LYS  29  -7.031   1.046   3.789
  295   1HD   LYS  29          2HD       LYS  29  -9.486   2.789   4.091
  296   2HD   LYS  29          1HD       LYS  29  -8.666   1.938   5.399
  297   1HE   LYS  29          2HE       LYS  29  -6.683   3.287   5.147
  298   2HE   LYS  29          1HE       LYS  29  -7.288   3.992   3.634
  299   1HZ   LYS  29          2HZ       LYS  29  -9.195   4.865   4.864
  300   2HZ   LYS  29          1HZ       LYS  29  -8.559   4.245   6.313
  301   3HZ   LYS  29          3HZ       LYS  29  -7.736   5.476   5.486
  302    QB   LYS  29           QB       LYS  29  -8.277   2.271   1.694
  303    QG   LYS  29           QG       LYS  29  -7.846   0.818   3.563
  304    QD   LYS  29           QD       LYS  29  -9.076   2.363   4.745
  305    QE   LYS  29           QE       LYS  29  -6.986   3.640   4.391
  306    QZ   LYS  29           QZ       LYS  29  -8.497   4.862   5.554
  307    H    ILE  30           H        ILE  30  -5.142   0.703   3.316
  308    HA   ILE  30           HA       ILE  30  -4.345   2.626   5.338
  309    HB   ILE  30           HB       ILE  30  -3.384  -0.186   4.661
  310   1HG1  ILE  30          2HG1      ILE  30  -5.380   0.726   6.755
  311   2HG1  ILE  30          1HG1      ILE  30  -5.842   0.100   5.172
  312   1HG2  ILE  30          1HG2      ILE  30  -1.885   1.260   6.155
  313   2HG2  ILE  30          3HG2      ILE  30  -3.203   1.238   7.326
  314   3HG2  ILE  30          2HG2      ILE  30  -2.424  -0.270   6.848
  315   1HD1  ILE  30          2HD1      ILE  30  -3.902  -1.578   6.645
  316   2HD1  ILE  30          1HD1      ILE  30  -5.499  -1.463   7.387
  317   3HD1  ILE  30          3HD1      ILE  30  -5.337  -2.050   5.732
  318    QG1  ILE  30           QG1      ILE  30  -5.611   0.413   5.964
  319    QG2  ILE  30           QG2      ILE  30  -2.504   0.742   6.776
  320    QD1  ILE  30           QD1      ILE  30  -4.912  -1.697   6.588
  321    H    PHE  31           H        PHE  31  -2.818   1.052   2.576
  322    HA   PHE  31           HA       PHE  31  -0.196   2.262   2.934
  323   1HB   PHE  31          2HB       PHE  31  -1.697   0.725   0.818
  324   2HB   PHE  31          1HB       PHE  31  -0.153   1.469   0.412
  325    HD1  PHE  31          1HD       PHE  31   1.484   1.162   2.768
  326    HD2  PHE  31          2HD       PHE  31  -1.397  -1.564   1.113
  327    HE1  PHE  31          1HE       PHE  31   2.680  -0.738   3.821
  328    HE2  PHE  31          2HE       PHE  31  -0.199  -3.464   2.168
  329   1HZ   PHE  31           HZ       PHE  31   1.837  -3.049   3.521
  330    QB   PHE  31           QB       PHE  31  -0.925   1.097   0.615
  331    QG   PHE  31           QD       PHE  31   0.044  -0.201   1.940
  332    QZ   PHE  31           QE       PHE  31   1.240  -2.101   2.995
  333    QZ   PHE  31           QR       PHE  31   0.881  -1.531   2.678
  334    H    LYS  32           H        LYS  32  -3.134   3.000   1.092
  335    HA   LYS  32           HA       LYS  32  -2.028   5.255  -0.331
  336   1HB   LYS  32          2HB       LYS  32  -4.750   4.088   0.134
  337   2HB   LYS  32          1HB       LYS  32  -4.568   5.626  -0.705
  338   1HG   LYS  32          2HG       LYS  32  -3.170   4.619  -2.398
  339   2HG   LYS  32          1HG       LYS  32  -3.114   3.092  -1.515
  340   1HD   LYS  32          2HD       LYS  32  -5.294   2.532  -2.078
  341   2HD   LYS  32          1HD       LYS  32  -5.791   4.215  -2.250
  342   1HE   LYS  32          2HE       LYS  32  -4.021   4.157  -4.256
  343   2HE   LYS  32          1HE       LYS  32  -4.446   2.435  -4.240
  344   1HZ   LYS  32          2HZ       LYS  32  -6.391   4.682  -4.268
  345   2HZ   LYS  32          1HZ       LYS  32  -5.991   3.723  -5.611
  346   3HZ   LYS  32          3HZ       LYS  32  -6.778   3.028  -4.280
  347    QB   LYS  32           QB       LYS  32  -4.659   4.857  -0.285
  348    QG   LYS  32           QG       LYS  32  -3.142   3.855  -1.956
  349    QD   LYS  32           QD       LYS  32  -5.543   3.374  -2.164
  350    QE   LYS  32           QE       LYS  32  -4.233   3.296  -4.248
  351    QZ   LYS  32           QZ       LYS  32  -6.387   3.811  -4.720
  352    H    GLN  33           H        GLN  33  -2.780   4.907   2.927
  353    HA   GLN  33           HA       GLN  33  -3.637   7.785   3.216
  354   1HB   GLN  33          2HB       GLN  33  -5.028   6.036   4.322
  355   2HB   GLN  33          1HB       GLN  33  -3.592   5.415   5.138
  356   1HG   GLN  33          2HG       GLN  33  -3.351   7.879   6.008
  357   2HG   GLN  33          1HG       GLN  33  -5.065   7.993   5.608
  358   1HE2  GLN  33          2HE2      GLN  33  -3.908   5.441   8.623
  359   2HE2  GLN  33          1HE2      GLN  33  -2.779   5.887   7.436
  360    QB   GLN  33           QB       GLN  33  -4.310   5.725   4.730
  361    QG   GLN  33           QG       GLN  33  -4.208   7.936   5.808
  362    QE2  GLN  33           QE2      GLN  33  -3.344   5.664   8.030
  363    H    TYR  34           H        TYR  34  -1.501   5.256   4.284
  364    HA   TYR  34           HA       TYR  34   0.428   6.584   5.854
  365   1HB   TYR  34          2HB       TYR  34   0.397   4.232   5.736
  366   2HB   TYR  34          1HB       TYR  34   0.162   4.234   3.983
  367    HD1  TYR  34          2HD       TYR  34   2.704   5.182   6.605
  368    HD2  TYR  34          1HD       TYR  34   2.013   3.745   2.617
  369    HE1  TYR  34          2HE       TYR  34   5.142   4.838   6.307
  370    HE2  TYR  34          1HE       TYR  34   4.450   3.401   2.318
  371    HH   TYR  34           HH       TYR  34   6.537   3.053   4.505
  372    QB   TYR  34           QB       TYR  34   0.279   4.233   4.859
  373    QG   TYR  34           QD       TYR  34   2.358   4.464   4.611
  374    QZ   TYR  34           QE       TYR  34   4.796   4.120   4.312
  375    QR   TYR  34           QR       TYR  34   3.577   4.292   4.462
  376    H    ALA  35           H        ALA  35   0.175   6.152   2.327
  377    HA   ALA  35           HA       ALA  35   2.631   7.440   1.541
  378   1HB   ALA  35          1HB       ALA  35  -0.007   6.716   0.300
  379   2HB   ALA  35          3HB       ALA  35   1.102   7.752  -0.599
  380   3HB   ALA  35          2HB       ALA  35   1.609   6.137  -0.100
  381    QB   ALA  35           QB       ALA  35   0.901   6.868  -0.133
  382    H    ASN  36           H        ASN  36  -0.740   8.666   1.587
  383    HA   ASN  36           HA       ASN  36  -0.242  11.338   0.803
  384   1HB   ASN  36          2HB       ASN  36  -2.300   9.860   2.376
  385   2HB   ASN  36          1HB       ASN  36  -2.351  11.621   2.410
  386   1HD2  ASN  36          2HD2      ASN  36  -2.577  10.054  -1.382
  387   2HD2  ASN  36          1HD2      ASN  36  -1.369   9.505  -0.324
  388    QB   ASN  36           QB       ASN  36  -2.325  10.741   2.393
  389    QD2  ASN  36           QD2      ASN  36  -1.973   9.780  -0.853
  390    H    ASP  37           H        ASP  37  -0.430  10.010   4.119
  391    HA   ASP  37           HA       ASP  37   0.077  12.367   5.578
  392   1HB   ASP  37          2HB       ASP  37  -0.578  10.064   6.398
  393   2HB   ASP  37          1HB       ASP  37   1.111   9.592   6.203
  394    QB   ASP  37           QB       ASP  37   0.266   9.828   6.301
  395    H    ASN  38           H        ASN  38   2.269  10.470   3.679
  396    HA   ASN  38           HA       ASN  38   4.618  11.866   4.786
  397   1HB   ASN  38          2HB       ASN  38   4.084   9.365   3.229
  398   2HB   ASN  38          1HB       ASN  38   5.693  10.085   3.159
  399   1HD2  ASN  38          2HD2      ASN  38   6.277   9.553   6.715
  400   2HD2  ASN  38          1HD2      ASN  38   6.537  10.725   5.516
  401    QB   ASN  38           QB       ASN  38   4.888   9.725   3.194
  402    QD2  ASN  38           QD2      ASN  38   6.407  10.139   6.115
  403    H    GLY  39           H        GLY  39   2.665  11.554   1.887
  404   1HA   GLY  39          2HA       GLY  39   2.617  13.508   0.351
  405   2HA   GLY  39          1HA       GLY  39   4.359  13.647   0.584
  406    QA   GLY  39           QA       GLY  39   3.488  13.577   0.468
  407    H    ILE  40           H        ILE  40   2.766  10.545   0.173
  408    HA   ILE  40           HA       ILE  40   4.346  10.098  -2.305
  409    HB   ILE  40           HB       ILE  40   3.086   8.515  -0.110
  410   1HG1  ILE  40          2HG1      ILE  40   5.294   7.335  -0.288
  411   2HG1  ILE  40          1HG1      ILE  40   5.722   8.470  -1.571
  412   1HG2  ILE  40          2HG2      ILE  40   2.202   7.462  -2.236
  413   2HG2  ILE  40          1HG2      ILE  40   3.878   7.166  -2.697
  414   3HG2  ILE  40          3HG2      ILE  40   3.212   6.412  -1.247
  415   1HD1  ILE  40          3HD1      ILE  40   4.795   9.341   1.170
  416   2HD1  ILE  40          2HD1      ILE  40   6.500   9.146   0.741
  417   3HD1  ILE  40          1HD1      ILE  40   5.509  10.346  -0.097
  418    QG1  ILE  40           QG1      ILE  40   5.508   7.903  -0.930
  419    QG2  ILE  40           QG2      ILE  40   3.097   7.013  -2.060
  420    QD1  ILE  40           QD1      ILE  40   5.601   9.611   0.605
  421    H    ASP  41           H        ASP  41   3.243  10.874  -4.042
  422    HA   ASP  41           HA       ASP  41   0.543   9.766  -4.609
  423   1HB   ASP  41          2HB       ASP  41  -0.308  12.066  -5.083
  424   2HB   ASP  41          1HB       ASP  41   0.143  11.854  -3.393
  425    QB   ASP  41           QB       ASP  41  -0.082  11.960  -4.238
  426    H    GLY  42           H        GLY  42   1.114   8.744  -6.509
  427   1HA   GLY  42          2HA       GLY  42   1.752  10.390  -8.833
  428   2HA   GLY  42          1HA       GLY  42   3.061   9.304  -8.369
  429    QA   GLY  42           QA       GLY  42   2.406   9.847  -8.601
  430    H    GLU  43           H        GLU  43   1.996   6.973  -7.754
  431    HA   GLU  43           HA       GLU  43  -0.081   6.226  -9.759
  432   1HB   GLU  43          2HB       GLU  43   2.261   6.192 -10.756
  433   2HB   GLU  43          1HB       GLU  43   2.647   4.906  -9.611
  434   1HG   GLU  43          2HG       GLU  43   1.206   3.382 -10.629
  435   2HG   GLU  43          1HG       GLU  43   0.207   4.649 -11.341
  436    QB   GLU  43           QB       GLU  43   2.454   5.549 -10.183
  437    QG   GLU  43           QG       GLU  43   0.706   4.015 -10.985
  438    H    TRP  44           H        TRP  44  -0.573   3.774  -9.482
  439    HA   TRP  44           HA       TRP  44   0.106   2.578  -6.851
  440   1HB   TRP  44          2HB       TRP  44  -2.528   3.859  -7.568
  441   2HB   TRP  44          1HB       TRP  44  -2.529   2.411  -6.552
  442    HD1  TRP  44           HD       TRP  44  -1.658   6.095  -6.492
  443    HE1  TRP  44          1HE       TRP  44  -0.932   6.730  -4.098
  444    HE3  TRP  44          3HE       TRP  44  -1.439   1.456  -4.420
  445    HZ2  TRP  44          2HZ       TRP  44  -0.338   5.421  -1.618
  446    HZ3  TRP  44          3HZ       TRP  44  -0.796   1.171  -2.034
  447    HH2  TRP  44           HH       TRP  44  -0.242   3.146  -0.644
  448    QB   TRP  44           QB       TRP  44  -2.528   3.135  -7.060
  449    H    THR  45           H        THR  45   0.230   0.412  -7.184
  450    HA   THR  45           HA       THR  45  -1.618  -0.896  -9.120
  451    HB   THR  45           HB       THR  45   0.164  -1.882 -10.368
  452    HG1  THR  45          1HG       THR  45   2.203  -1.960  -9.664
  453   1HG2  THR  45          3HG2      THR  45  -0.238   0.489 -10.934
  454   2HG2  THR  45          2HG2      THR  45   0.998   0.964  -9.767
  455   3HG2  THR  45          1HG2      THR  45   1.447   0.038 -11.203
  456    QG2  THR  45           QG2      THR  45   0.736   0.497 -10.635
  457    H    TYR  46           H        TYR  46  -2.301  -2.813  -8.288
  458    HA   TYR  46           HA       TYR  46  -0.984  -3.808  -5.810
  459   1HB   TYR  46          2HB       TYR  46  -3.363  -3.404  -5.677
  460   2HB   TYR  46          1HB       TYR  46  -3.658  -4.327  -7.153
  461    HD1  TYR  46          2HD       TYR  46  -1.789  -4.870  -3.935
  462    HD2  TYR  46          1HD       TYR  46  -4.584  -6.435  -6.796
  463    HE1  TYR  46          2HE       TYR  46  -1.972  -6.959  -2.614
  464    HE2  TYR  46          1HE       TYR  46  -4.759  -8.529  -5.477
  465    HH   TYR  46           HH       TYR  46  -3.192  -9.769  -3.779
  466    QB   TYR  46           QB       TYR  46  -3.510  -3.865  -6.415
  467    QG   TYR  46           QD       TYR  46  -3.187  -5.653  -5.366
  468    QZ   TYR  46           QE       TYR  46  -3.366  -7.744  -4.046
  469    QR   TYR  46           QR       TYR  46  -3.276  -6.698  -4.706
  470    H    ASP  47           H        ASP  47   0.312  -5.591  -5.921
  471    HA   ASP  47           HA       ASP  47   0.403  -7.167  -8.441
  472   1HB   ASP  47          2HB       ASP  47   2.160  -7.054  -5.964
  473   2HB   ASP  47          1HB       ASP  47   2.512  -8.016  -7.398
  474    QB   ASP  47           QB       ASP  47   2.336  -7.535  -6.681
  475    H    ASP  48           H        ASP  48  -1.357  -8.600  -8.280
  476    HA   ASP  48           HA       ASP  48  -2.127  -9.960  -5.853
  477   1HB   ASP  48          2HB       ASP  48  -3.542 -11.261  -7.433
  478   2HB   ASP  48          1HB       ASP  48  -3.639  -9.526  -7.733
  479    QB   ASP  48           QB       ASP  48  -3.590 -10.394  -7.583
  480    H    ALA  49           H        ALA  49   0.588 -10.457  -7.805
  481    HA   ALA  49           HA       ALA  49   0.698 -13.386  -7.531
  482   1HB   ALA  49          3HB       ALA  49   2.560 -11.243  -8.602
  483   2HB   ALA  49          2HB       ALA  49   2.931 -12.966  -8.652
  484   3HB   ALA  49          1HB       ALA  49   1.547 -12.334  -9.546
  485    QB   ALA  49           QB       ALA  49   2.346 -12.181  -8.934
  486    H    THR  50           H        THR  50   1.970 -10.484  -5.988
  487    HA   THR  50           HA       THR  50   3.314 -12.220  -3.945
  488    HB   THR  50           HB       THR  50   5.037 -10.426  -3.838
  489    HG1  THR  50          1HG       THR  50   4.953  -8.780  -5.344
  490   1HG2  THR  50          2HG2      THR  50   5.038 -12.432  -5.502
  491   2HG2  THR  50          1HG2      THR  50   4.732 -11.201  -6.727
  492   3HG2  THR  50          3HG2      THR  50   6.198 -11.127  -5.750
  493    QG2  THR  50           QG2      THR  50   5.323 -11.587  -5.993
  494    H    LYS  51           H        LYS  51   0.703 -10.300  -4.405
  495    HA   LYS  51           HA       LYS  51  -0.647  -8.979  -2.996
  496   1HB   LYS  51          2HB       LYS  51   1.093 -10.350  -0.915
  497   2HB   LYS  51          1HB       LYS  51  -0.467  -9.594  -0.607
  498   1HG   LYS  51          2HG       LYS  51  -0.502 -11.563  -2.804
  499   2HG   LYS  51          1HG       LYS  51  -0.117 -12.250  -1.227
  500   1HD   LYS  51          2HD       LYS  51  -2.148 -10.898  -0.363
  501   2HD   LYS  51          1HD       LYS  51  -2.595 -10.748  -2.063
  502   1HE   LYS  51          2HE       LYS  51  -3.208 -12.948  -2.219
  503   2HE   LYS  51          1HE       LYS  51  -1.865 -13.491  -1.195
  504   1HZ   LYS  51          2HZ       LYS  51  -3.013 -12.496   0.718
  505   2HZ   LYS  51          1HZ       LYS  51  -4.333 -12.111  -0.279
  506   3HZ   LYS  51          3HZ       LYS  51  -3.931 -13.734   0.003
  507    QB   LYS  51           QB       LYS  51   0.313  -9.972  -0.761
  508    QG   LYS  51           QG       LYS  51  -0.309 -11.907  -2.016
  509    QD   LYS  51           QD       LYS  51  -2.371 -10.823  -1.213
  510    QE   LYS  51           QE       LYS  51  -2.537 -13.220  -1.707
  511    QZ   LYS  51           QZ       LYS  51  -3.759 -12.780   0.147
  512    H    THR  52           H        THR  52   1.675  -7.686  -4.087
  513    HA   THR  52           HA       THR  52   2.364  -5.798  -1.846
  514    HB   THR  52           HB       THR  52   4.032  -6.646  -4.236
  515    HG1  THR  52          1HG       THR  52   4.228  -7.329  -1.490
  516   1HG2  THR  52          2HG2      THR  52   4.387  -4.698  -2.001
  517   2HG2  THR  52          1HG2      THR  52   5.799  -5.602  -2.544
  518   3HG2  THR  52          3HG2      THR  52   4.912  -4.586  -3.681
  519    QG2  THR  52           QG2      THR  52   5.033  -4.962  -2.742
  520    H    PHE  53           H        PHE  53   1.634  -3.742  -2.235
  521    HA   PHE  53           HA       PHE  53   0.534  -3.007  -4.847
  522   1HB   PHE  53          2HB       PHE  53   0.901  -1.603  -2.188
  523   2HB   PHE  53          1HB       PHE  53   0.091  -0.852  -3.565
  524    HD1  PHE  53          2HD       PHE  53  -0.041  -3.676  -1.156
  525    HD2  PHE  53          1HD       PHE  53  -2.145  -1.499  -4.215
  526    HE1  PHE  53          2HE       PHE  53  -2.140  -4.868  -0.565
  527    HE2  PHE  53          1HE       PHE  53  -4.232  -2.700  -3.620
  528   1HZ   PHE  53           HZ       PHE  53  -4.228  -4.380  -1.802
  529    QB   PHE  53           QB       PHE  53   0.496  -1.227  -2.876
  530    QG   PHE  53           QD       PHE  53  -1.093  -2.587  -2.685
  531    QZ   PHE  53           QE       PHE  53  -3.186  -3.784  -2.093
  532    QZ   PHE  53           QR       PHE  53  -2.557  -3.424  -2.272
  533    H    THR  54           H        THR  54   1.273  -0.453  -5.442
  534    HA   THR  54           HA       THR  54   4.189  -0.106  -5.131
  535    HB   THR  54           HB       THR  54   3.144  -0.233  -7.941
  536    HG1  THR  54          1HG       THR  54   2.689  -2.258  -7.726
  537   1HG2  THR  54          3HG2      THR  54   5.516   0.452  -7.063
  538   2HG2  THR  54          2HG2      THR  54   5.760  -1.289  -6.923
  539   3HG2  THR  54          1HG2      THR  54   5.382  -0.576  -8.491
  540    QG2  THR  54           QG2      THR  54   5.553  -0.471  -7.492
  541    H    VAL  55           H        VAL  55   3.987   1.992  -4.448
  542    HA   VAL  55           HA       VAL  55   2.271   3.792  -6.092
  543    HB   VAL  55           HB       VAL  55   1.429   3.454  -3.847
  544   1HG1  VAL  55          2HG1      VAL  55   4.238   4.207  -2.986
  545   2HG1  VAL  55          1HG1      VAL  55   2.856   4.142  -1.887
  546   3HG1  VAL  55          3HG1      VAL  55   3.389   2.676  -2.712
  547   1HG2  VAL  55          3HG2      VAL  55   1.254   5.742  -4.745
  548   2HG2  VAL  55          2HG2      VAL  55   1.470   5.770  -2.995
  549   3HG2  VAL  55          1HG2      VAL  55   2.830   6.137  -4.057
  550    QG1  VAL  55           QG1      VAL  55   3.494   3.675  -2.528
  551    QG2  VAL  55           QG2      VAL  55   1.851   5.883  -3.932
  552    QQG  VAL  55           QQG      VAL  55   2.673   4.779  -3.230
  553    H    THR  56           H        THR  56   3.195   5.529  -7.034
  554    HA   THR  56           HA       THR  56   5.995   6.225  -6.235
  555    HB   THR  56           HB       THR  56   5.461   4.913  -8.443
  556    HG1  THR  56          1HG       THR  56   7.121   6.343  -9.488
  557   1HG2  THR  56          3HG2      THR  56   3.683   6.669  -9.092
  558   2HG2  THR  56          2HG2      THR  56   5.054   7.673  -9.563
  559   3HG2  THR  56          1HG2      THR  56   4.800   6.106 -10.337
  560    QG2  THR  56           QG2      THR  56   4.512   6.816  -9.664
  561    H    GLU  57           H        GLU  57   6.359   8.488  -7.680
  562    HA   GLU  57           HA       GLU  57   4.070  10.291  -6.957
  563   1HB   GLU  57          2HB       GLU  57   6.113  10.112  -5.343
  564   2HB   GLU  57          1HB       GLU  57   6.975  11.025  -6.581
  565   1HG   GLU  57          2HG       GLU  57   4.302  11.979  -5.578
  566   2HG   GLU  57          1HG       GLU  57   5.773  12.339  -4.674
  567    QB   GLU  57           QB       GLU  57   6.544  10.569  -5.962
  568    QG   GLU  57           QG       GLU  57   5.038  12.159  -5.126
   
  No H/Q in entry =         568
  Start of MODEL   11
    1   1H    MET   1          3HT       MET   1  -0.068 -14.146   7.368
    2   2H    MET   1          2HT       MET   1  -1.233 -13.381   8.339
    3   3H    MET   1          1HT       MET   1  -0.774 -14.986   8.662
    4    HA   MET   1           HA       MET   1  -1.844 -15.803   6.732
    5   1HB   MET   1          2HB       MET   1  -3.066 -14.646   8.876
    6   2HB   MET   1          1HB       MET   1  -3.826 -13.754   7.557
    7   1HG   MET   1          2HG       MET   1  -5.242 -15.579   7.652
    8   2HG   MET   1          1HG       MET   1  -4.049 -16.191   6.508
    9   1HE   MET   1          2HE       MET   1  -4.381 -18.357   6.635
   10   2HE   MET   1          1HE       MET   1  -2.664 -18.507   7.002
   11   3HE   MET   1          3HE       MET   1  -3.849 -19.479   7.884
   12    QB   MET   1           QB       MET   1  -3.446 -14.200   8.216
   13    QG   MET   1           QG       MET   1  -4.646 -15.885   7.080
   14    QE   MET   1           QE       MET   1  -3.632 -18.781   7.174
   15    H    THR   2           H        THR   2  -1.874 -12.237   6.829
   16    HA   THR   2           HA       THR   2  -2.146 -12.238   3.840
   17    HB   THR   2           HB       THR   2  -3.291 -10.330   5.909
   18    HG1  THR   2          1HG       THR   2  -4.544 -12.089   5.911
   19   1HG2  THR   2          2HG2      THR   2  -3.007 -10.231   2.959
   20   2HG2  THR   2          1HG2      THR   2  -4.586  -9.777   3.599
   21   3HG2  THR   2          3HG2      THR   2  -3.141  -8.910   4.121
   22    QG2  THR   2           QG2      THR   2  -3.578  -9.639   3.560
   23    H    THR   3           H        THR   3  -1.494  -9.664   6.236
   24    HA   THR   3           HA       THR   3   0.228  -8.050   6.312
   25    HB   THR   3           HB       THR   3   1.853 -10.431   5.377
   26    HG1  THR   3          1HG       THR   3   1.651 -11.228   7.345
   27   1HG2  THR   3          1HG2      THR   3   2.547  -7.783   6.183
   28   2HG2  THR   3          3HG2      THR   3   3.032  -8.880   7.480
   29   3HG2  THR   3          2HG2      THR   3   3.629  -9.135   5.841
   30    QG2  THR   3           QG2      THR   3   3.069  -8.599   6.501
   31    H    PHE   4           H        PHE   4  -0.734  -6.957   4.366
   32    HA   PHE   4           HA       PHE   4   0.394  -7.493   1.718
   33   1HB   PHE   4          2HB       PHE   4  -1.476  -5.553   3.026
   34   2HB   PHE   4          1HB       PHE   4  -0.800  -5.119   1.457
   35    HD1  PHE   4          1HD       PHE   4  -0.931  -6.929  -0.413
   36    HD2  PHE   4          2HD       PHE   4  -3.343  -6.972   3.138
   37    HE1  PHE   4          1HE       PHE   4  -2.549  -8.436  -1.533
   38    HE2  PHE   4          2HE       PHE   4  -4.961  -8.477   2.017
   39   1HZ   PHE   4           HZ       PHE   4  -4.567  -9.207  -0.318
   40    QB   PHE   4           QB       PHE   4  -1.138  -5.336   2.242
   41    QG   PHE   4           QD       PHE   4  -2.137  -6.950   1.363
   42    QZ   PHE   4           QE       PHE   4  -3.755  -8.457   0.242
   43    QZ   PHE   4           QR       PHE   4  -3.270  -8.004   0.578
   44    H    LYS   5           H        LYS   5   1.962  -6.196   0.648
   45    HA   LYS   5           HA       LYS   5   3.583  -4.431   2.452
   46   1HB   LYS   5          2HB       LYS   5   4.301  -6.033  -0.030
   47   2HB   LYS   5          1HB       LYS   5   5.437  -5.073   0.917
   48   1HG   LYS   5          2HG       LYS   5   5.786  -7.051   2.009
   49   2HG   LYS   5          1HG       LYS   5   4.330  -6.583   2.887
   50   1HD   LYS   5          2HD       LYS   5   2.938  -7.943   1.504
   51   2HD   LYS   5          1HD       LYS   5   4.228  -8.188   0.327
   52   1HE   LYS   5          2HE       LYS   5   5.433  -9.635   1.776
   53   2HE   LYS   5          1HE       LYS   5   4.507  -9.113   3.197
   54   1HZ   LYS   5          2HZ       LYS   5   2.489  -9.961   2.068
   55   2HZ   LYS   5          1HZ       LYS   5   3.477 -10.616   0.851
   56   3HZ   LYS   5          3HZ       LYS   5   3.607 -11.184   2.443
   57    QB   LYS   5           QB       LYS   5   4.869  -5.553   0.444
   58    QG   LYS   5           QG       LYS   5   5.058  -6.817   2.448
   59    QD   LYS   5           QD       LYS   5   3.583  -8.066   0.916
   60    QE   LYS   5           QE       LYS   5   4.970  -9.374   2.486
   61    QZ   LYS   5           QZ       LYS   5   3.191 -10.587   1.787
   62    H    LEU   6           H        LEU   6   5.039  -2.977   0.699
   63    HA   LEU   6           HA       LEU   6   3.425  -1.906  -1.506
   64   1HB   LEU   6          2HB       LEU   6   2.310  -0.964   0.472
   65   2HB   LEU   6          1HB       LEU   6   3.852  -0.360   1.076
   66    HG   LEU   6           HG       LEU   6   4.010   0.941  -1.151
   67   1HD1  LEU   6          1HD1      LEU   6   1.137   0.018  -1.162
   68   2HD1  LEU   6          3HD1      LEU   6   1.638   1.490  -1.994
   69   3HD1  LEU   6          2HD1      LEU   6   2.318  -0.067  -2.469
   70   1HD2  LEU   6          2HD2      LEU   6   3.315   1.771   1.227
   71   2HD2  LEU   6          1HD2      LEU   6   2.974   2.802  -0.162
   72   3HD2  LEU   6          3HD2      LEU   6   1.689   1.828   0.549
   73    QB   LEU   6           QB       LEU   6   3.081  -0.662   0.774
   74    QD1  LEU   6           QD1      LEU   6   1.698   0.481  -1.875
   75    QD2  LEU   6           QD2      LEU   6   2.659   2.134   0.538
   76    QQD  LEU   6           QQD      LEU   6   2.179   1.307  -0.669
   77    H    ILE   7           H        ILE   7   5.185  -1.889  -2.909
   78    HA   ILE   7           HA       ILE   7   7.828  -0.924  -2.025
   79    HB   ILE   7           HB       ILE   7   6.727  -1.748  -4.739
   80   1HG1  ILE   7          2HG1      ILE   7   6.616  -3.571  -3.071
   81   2HG1  ILE   7          1HG1      ILE   7   7.844  -3.907  -4.289
   82   1HG2  ILE   7          2HG2      ILE   7   9.389  -0.845  -3.770
   83   2HG2  ILE   7          1HG2      ILE   7   9.385  -2.233  -4.860
   84   3HG2  ILE   7          3HG2      ILE   7   8.666  -0.706  -5.373
   85   1HD1  ILE   7          3HD1      ILE   7   9.585  -3.027  -2.736
   86   2HD1  ILE   7          2HD1      ILE   7   8.339  -2.788  -1.511
   87   3HD1  ILE   7          1HD1      ILE   7   8.731  -4.416  -2.064
   88    QG1  ILE   7           QG1      ILE   7   7.230  -3.739  -3.680
   89    QG2  ILE   7           QG2      ILE   7   9.147  -1.262  -4.668
   90    QD1  ILE   7           QD1      ILE   7   8.885  -3.411  -2.104
   91    H    ILE   8           H        ILE   8   8.080   1.270  -1.882
   92    HA   ILE   8           HA       ILE   8   6.353   3.047  -3.485
   93    HB   ILE   8           HB       ILE   8   8.591   3.875  -1.635
   94   1HG1  ILE   8          2HG1      ILE   8   6.664   2.119  -0.718
   95   2HG1  ILE   8          1HG1      ILE   8   7.480   3.297   0.285
   96   1HG2  ILE   8          1HG2      ILE   8   5.996   5.091  -2.594
   97   2HG2  ILE   8          3HG2      ILE   8   6.917   5.766  -1.247
   98   3HG2  ILE   8          2HG2      ILE   8   7.644   5.680  -2.852
   99   1HD1  ILE   8          3HD1      ILE   8   4.973   4.062  -1.179
  100   2HD1  ILE   8          2HD1      ILE   8   4.871   3.159   0.330
  101   3HD1  ILE   8          1HD1      ILE   8   5.643   4.743   0.299
  102    QG1  ILE   8           QG1      ILE   8   7.072   2.708  -0.216
  103    QG2  ILE   8           QG2      ILE   8   6.852   5.512  -2.231
  104    QD1  ILE   8           QD1      ILE   8   5.163   3.988  -0.183
  105    H    ASN   9           H        ASN   9   7.060   3.490  -5.573
  106    HA   ASN   9           HA       ASN   9   9.922   3.317  -6.271
  107   1HB   ASN   9          2HB       ASN   9   7.822   4.445  -8.105
  108   2HB   ASN   9          1HB       ASN   9   9.190   3.420  -8.495
  109   1HD2  ASN   9          2HD2      ASN   9   5.701   1.651  -8.272
  110   2HD2  ASN   9          1HD2      ASN   9   5.997   3.265  -8.710
  111    QB   ASN   9           QB       ASN   9   8.506   3.933  -8.300
  112    QD2  ASN   9           QD2      ASN   9   5.849   2.458  -8.491
  113    H    GLY  10           H        GLY  10  10.095   5.434  -8.138
  114   1HA   GLY  10          2HA       GLY  10  10.681   7.702  -8.256
  115   2HA   GLY  10          1HA       GLY  10   9.320   7.993  -7.174
  116    QA   GLY  10           QA       GLY  10  10.000   7.848  -7.715
  117    H    LYS  11           H        LYS  11  10.799   9.671  -6.257
  118    HA   LYS  11           HA       LYS  11  12.833   8.490  -4.394
  119   1HB   LYS  11          2HB       LYS  11  13.855  10.759  -4.517
  120   2HB   LYS  11          1HB       LYS  11  13.721  10.011  -6.107
  121   1HG   LYS  11          2HG       LYS  11  11.865  11.363  -6.710
  122   2HG   LYS  11          1HG       LYS  11  11.578  11.853  -5.040
  123   1HD   LYS  11          2HD       LYS  11  13.617  13.158  -5.005
  124   2HD   LYS  11          1HD       LYS  11  14.084  12.550  -6.593
  125   1HE   LYS  11          2HE       LYS  11  11.657  13.554  -7.227
  126   2HE   LYS  11          1HE       LYS  11  12.089  14.644  -5.892
  127   1HZ   LYS  11          1HZ       LYS  11  13.852  13.966  -8.187
  128   2HZ   LYS  11          3HZ       LYS  11  12.993  15.418  -8.022
  129   3HZ   LYS  11          2HZ       LYS  11  14.227  15.033  -6.920
  130    QB   LYS  11           QB       LYS  11  13.788  10.385  -5.312
  131    QG   LYS  11           QG       LYS  11  11.722  11.608  -5.875
  132    QD   LYS  11           QD       LYS  11  13.850  12.854  -5.799
  133    QE   LYS  11           QE       LYS  11  11.873  14.099  -6.559
  134    QZ   LYS  11           QZ       LYS  11  13.690  14.806  -7.710
  135    H    THR  12           H        THR  12   9.854   8.820  -3.970
  136    HA   THR  12           HA       THR  12   9.361  11.031  -2.197
  137    HB   THR  12           HB       THR  12   7.357   9.689  -1.612
  138    HG1  THR  12          1HG       THR  12   7.407   7.620  -1.849
  139   1HG2  THR  12          1HG2      THR  12   7.813  10.899  -3.917
  140   2HG2  THR  12          3HG2      THR  12   7.769   9.250  -4.544
  141   3HG2  THR  12          2HG2      THR  12   6.370   9.909  -3.695
  142    QG2  THR  12           QG2      THR  12   7.317  10.019  -4.052
  143    H    LEU  13           H        LEU  13   9.232   7.663  -1.099
  144    HA   LEU  13           HA       LEU  13  11.037   8.387   1.171
  145   1HB   LEU  13          2HB       LEU  13   9.450   7.272   2.687
  146   2HB   LEU  13          1HB       LEU  13   8.639   8.554   1.790
  147    HG   LEU  13           HG       LEU  13   8.065   6.640   0.104
  148   1HD1  LEU  13          1HD1      LEU  13   9.232   5.206   2.392
  149   2HD1  LEU  13          3HD1      LEU  13   7.608   4.642   1.997
  150   3HD1  LEU  13          2HD1      LEU  13   8.872   4.615   0.772
  151   1HD2  LEU  13          3HD2      LEU  13   6.656   7.983   1.949
  152   2HD2  LEU  13          2HD2      LEU  13   5.949   6.646   1.041
  153   3HD2  LEU  13          1HD2      LEU  13   6.559   6.378   2.672
  154    QB   LEU  13           QB       LEU  13   9.045   7.913   2.238
  155    QD1  LEU  13           QD1      LEU  13   8.571   4.821   1.720
  156    QD2  LEU  13           QD2      LEU  13   6.388   7.002   1.887
  157    QQD  LEU  13           QQD      LEU  13   7.479   5.912   1.804
  158    H    LYS  14           H        LYS  14   9.850   5.899  -1.034
  159    HA   LYS  14           HA       LYS  14  10.684   3.780  -1.594
  160   1HB   LYS  14          2HB       LYS  14  13.110   5.138  -0.386
  161   2HB   LYS  14          1HB       LYS  14  13.186   3.590  -1.224
  162   1HG   LYS  14          2HG       LYS  14  12.033   4.749  -3.185
  163   2HG   LYS  14          1HG       LYS  14  12.362   6.269  -2.354
  164   1HD   LYS  14          2HD       LYS  14  14.689   6.025  -2.556
  165   2HD   LYS  14          1HD       LYS  14  14.577   4.284  -2.822
  166   1HE   LYS  14          2HE       LYS  14  13.369   4.814  -5.010
  167   2HE   LYS  14          1HE       LYS  14  13.862   6.501  -4.763
  168   1HZ   LYS  14          3HZ       LYS  14  16.159   5.682  -4.448
  169   2HZ   LYS  14          2HZ       LYS  14  15.642   4.125  -4.887
  170   3HZ   LYS  14          1HZ       LYS  14  15.567   5.397  -6.010
  171    QB   LYS  14           QB       LYS  14  13.148   4.364  -0.805
  172    QG   LYS  14           QG       LYS  14  12.197   5.509  -2.770
  173    QD   LYS  14           QD       LYS  14  14.633   5.155  -2.689
  174    QE   LYS  14           QE       LYS  14  13.615   5.658  -4.887
  175    QZ   LYS  14           QZ       LYS  14  15.789   5.068  -5.115
  176    H    GLY  15           H        GLY  15   9.885   2.051  -0.475
  177   1HA   GLY  15          2HA       GLY  15  11.212   0.774   1.631
  178   2HA   GLY  15          1HA       GLY  15  10.032   1.832   2.404
  179    QA   GLY  15           QA       GLY  15  10.622   1.303   2.018
  180    H    GLU  16           H        GLU  16   9.916  -0.971   2.610
  181    HA   GLU  16           HA       GLU  16   7.382  -1.570   1.118
  182   1HB   GLU  16          2HB       GLU  16   9.392  -2.730   0.210
  183   2HB   GLU  16          1HB       GLU  16   9.688  -3.421   1.806
  184   1HG   GLU  16          2HG       GLU  16   7.099  -4.138   1.479
  185   2HG   GLU  16          1HG       GLU  16   7.619  -4.129  -0.206
  186    QB   GLU  16           QB       GLU  16   9.540  -3.076   1.008
  187    QG   GLU  16           QG       GLU  16   7.359  -4.134   0.636
  188    H    ILE  17           H        ILE  17   7.017  -0.461   3.521
  189    HA   ILE  17           HA       ILE  17   7.248  -2.132   5.840
  190    HB   ILE  17           HB       ILE  17   5.269   0.067   5.133
  191   1HG1  ILE  17          2HG1      ILE  17   7.618   0.549   6.896
  192   2HG1  ILE  17          1HG1      ILE  17   7.972   0.310   5.186
  193   1HG2  ILE  17          1HG2      ILE  17   4.939  -1.544   7.223
  194   2HG2  ILE  17          3HG2      ILE  17   6.199  -0.528   7.920
  195   3HG2  ILE  17          2HG2      ILE  17   4.685   0.193   7.377
  196   1HD1  ILE  17          3HD1      ILE  17   5.729   2.148   5.927
  197   2HD1  ILE  17          2HD1      ILE  17   7.384   2.724   6.123
  198   3HD1  ILE  17          1HD1      ILE  17   6.812   2.206   4.536
  199    QG1  ILE  17           QG1      ILE  17   7.795   0.430   6.041
  200    QG2  ILE  17           QG2      ILE  17   5.274  -0.626   7.507
  201    QD1  ILE  17           QD1      ILE  17   6.642   2.359   5.528
  202    H    THR  18           H        THR  18   6.340  -4.152   5.897
  203    HA   THR  18           HA       THR  18   3.948  -4.880   4.394
  204    HB   THR  18           HB       THR  18   4.314  -7.044   5.552
  205    HG1  THR  18          1HG       THR  18   4.907  -6.419   7.563
  206   1HG2  THR  18          3HG2      THR  18   6.057  -5.790   3.786
  207   2HG2  THR  18          2HG2      THR  18   7.120  -6.384   5.061
  208   3HG2  THR  18          1HG2      THR  18   6.066  -7.504   4.201
  209    QG2  THR  18           QG2      THR  18   6.414  -6.559   4.349
  210    H    ILE  19           H        ILE  19   1.844  -5.199   5.229
  211    HA   ILE  19           HA       ILE  19   1.368  -4.683   8.126
  212    HB   ILE  19           HB       ILE  19  -0.299  -2.934   7.548
  213   1HG1  ILE  19          2HG1      ILE  19   0.246  -2.097   5.012
  214   2HG1  ILE  19          1HG1      ILE  19   0.411  -3.840   4.811
  215   1HG2  ILE  19          3HG2      ILE  19   2.161  -2.433   7.983
  216   2HG2  ILE  19          2HG2      ILE  19   2.352  -2.299   6.235
  217   3HG2  ILE  19          1HG2      ILE  19   1.277  -1.194   7.092
  218   1HD1  ILE  19          3HD1      ILE  19  -1.852  -3.890   6.188
  219   2HD1  ILE  19          2HD1      ILE  19  -2.006  -2.242   5.579
  220   3HD1  ILE  19          1HD1      ILE  19  -1.871  -3.590   4.449
  221    QG1  ILE  19           QG1      ILE  19   0.328  -2.968   4.912
  222    QG2  ILE  19           QG2      ILE  19   1.930  -1.976   7.103
  223    QD1  ILE  19           QD1      ILE  19  -1.910  -3.241   5.405
  224    H    GLU  20           H        GLU  20  -0.255  -5.995   8.884
  225    HA   GLU  20           HA       GLU  20  -1.587  -7.862   7.080
  226   1HB   GLU  20          2HB       GLU  20  -2.559  -8.684   9.213
  227   2HB   GLU  20          1HB       GLU  20  -0.815  -8.468   9.338
  228   1HG   GLU  20          2HG       GLU  20  -2.274  -6.026  10.034
  229   2HG   GLU  20          1HG       GLU  20  -2.732  -7.386  11.056
  230    QB   GLU  20           QB       GLU  20  -1.687  -8.576   9.276
  231    QG   GLU  20           QG       GLU  20  -2.503  -6.706  10.545
  232    H    ALA  21           H        ALA  21  -3.893  -8.008   6.762
  233    HA   ALA  21           HA       ALA  21  -5.696  -5.927   7.738
  234   1HB   ALA  21          1HB       ALA  21  -4.524  -5.889   4.950
  235   2HB   ALA  21          3HB       ALA  21  -6.052  -5.090   5.323
  236   3HB   ALA  21          2HB       ALA  21  -4.569  -4.578   6.129
  237    QB   ALA  21           QB       ALA  21  -5.048  -5.186   5.467
  238    H    VAL  22           H        VAL  22  -7.905  -6.260   6.853
  239    HA   VAL  22           HA       VAL  22  -8.772  -8.928   6.760
  240    HB   VAL  22           HB       VAL  22 -10.183  -6.964   7.217
  241   1HG1  VAL  22          3HG1      VAL  22  -8.994  -5.634   5.309
  242   2HG1  VAL  22          2HG1      VAL  22 -10.225  -6.349   4.270
  243   3HG1  VAL  22          1HG1      VAL  22 -10.701  -5.322   5.620
  244   1HG2  VAL  22          2HG2      VAL  22 -11.074  -9.176   6.143
  245   2HG2  VAL  22          1HG2      VAL  22 -12.142  -7.774   6.207
  246   3HG2  VAL  22          3HG2      VAL  22 -11.313  -8.183   4.705
  247    QG1  VAL  22           QG1      VAL  22  -9.973  -5.768   5.066
  248    QG2  VAL  22           QG2      VAL  22 -11.509  -8.377   5.685
  249    QQG  VAL  22           QQG      VAL  22 -10.741  -7.073   5.376
  250    H    ASP  23           H        ASP  23  -7.910  -6.763   4.078
  251    HA   ASP  23           HA       ASP  23  -7.313  -9.028   2.325
  252   1HB   ASP  23          2HB       ASP  23  -9.048  -8.366   0.641
  253   2HB   ASP  23          1HB       ASP  23  -9.751  -8.948   2.146
  254    QB   ASP  23           QB       ASP  23  -9.400  -8.657   1.394
  255    H    ALA  24           H        ALA  24  -6.829  -8.018  -0.005
  256    HA   ALA  24           HA       ALA  24  -4.772  -6.062   0.301
  257   1HB   ALA  24          2HB       ALA  24  -5.470  -7.828  -1.593
  258   2HB   ALA  24          1HB       ALA  24  -6.194  -6.387  -2.310
  259   3HB   ALA  24          3HB       ALA  24  -4.464  -6.425  -1.961
  260    QB   ALA  24           QB       ALA  24  -5.376  -6.880  -1.954
  261    H    ALA  25           H        ALA  25  -8.219  -5.759  -0.379
  262    HA   ALA  25           HA       ALA  25  -8.363  -3.138  -1.405
  263   1HB   ALA  25          3HB       ALA  25 -10.124  -4.895   0.280
  264   2HB   ALA  25          2HB       ALA  25 -10.633  -3.246  -0.080
  265   3HB   ALA  25          1HB       ALA  25 -10.347  -4.388  -1.393
  266    QB   ALA  25           QB       ALA  25 -10.368  -4.176  -0.398
  267    H    GLU  26           H        GLU  26  -8.479  -4.200   2.012
  268    HA   GLU  26           HA       GLU  26  -8.518  -1.536   3.131
  269   1HB   GLU  26          2HB       GLU  26  -8.296  -4.343   3.989
  270   2HB   GLU  26          1HB       GLU  26  -7.397  -3.234   5.025
  271   1HG   GLU  26          2HG       GLU  26  -9.672  -3.442   5.875
  272   2HG   GLU  26          1HG       GLU  26  -9.449  -1.819   5.220
  273    QB   GLU  26           QB       GLU  26  -7.846  -3.788   4.507
  274    QG   GLU  26           QG       GLU  26  -9.560  -2.631   5.548
  275    H    ALA  27           H        ALA  27  -5.921  -3.902   2.504
  276    HA   ALA  27           HA       ALA  27  -3.709  -2.519   3.599
  277   1HB   ALA  27          3HB       ALA  27  -4.185  -4.454   1.362
  278   2HB   ALA  27          2HB       ALA  27  -2.590  -3.708   1.482
  279   3HB   ALA  27          1HB       ALA  27  -3.227  -4.655   2.829
  280    QB   ALA  27           QB       ALA  27  -3.334  -4.272   1.891
  281    H    GLU  28           H        GLU  28  -5.082  -2.279   0.298
  282    HA   GLU  28           HA       GLU  28  -3.300  -0.313  -0.739
  283   1HB   GLU  28          2HB       GLU  28  -5.185  -1.762  -1.828
  284   2HB   GLU  28          1HB       GLU  28  -6.248  -0.430  -1.376
  285   1HG   GLU  28          2HG       GLU  28  -4.483   1.087  -2.531
  286   2HG   GLU  28          1HG       GLU  28  -3.908  -0.397  -3.287
  287    QB   GLU  28           QB       GLU  28  -5.716  -1.096  -1.602
  288    QG   GLU  28           QG       GLU  28  -4.196   0.345  -2.909
  289    H    LYS  29           H        LYS  29  -6.251  -0.017   1.222
  290    HA   LYS  29           HA       LYS  29  -6.424   2.877   1.100
  291   1HB   LYS  29          2HB       LYS  29  -7.428   0.833   3.116
  292   2HB   LYS  29          1HB       LYS  29  -7.976   2.505   3.020
  293   1HG   LYS  29          2HG       LYS  29  -8.126   1.209   0.414
  294   2HG   LYS  29          1HG       LYS  29  -9.038   0.307   1.623
  295   1HD   LYS  29          2HD       LYS  29 -10.612   1.868   0.855
  296   2HD   LYS  29          1HD       LYS  29  -9.981   2.638   2.312
  297   1HE   LYS  29          2HE       LYS  29  -8.722   4.202   1.100
  298   2HE   LYS  29          1HE       LYS  29  -8.678   3.184  -0.352
  299   1HZ   LYS  29          1HZ       LYS  29 -11.172   4.313   0.796
  300   2HZ   LYS  29          3HZ       LYS  29 -10.312   5.045  -0.470
  301   3HZ   LYS  29          2HZ       LYS  29 -10.997   3.505  -0.689
  302    QB   LYS  29           QB       LYS  29  -7.702   1.669   3.068
  303    QG   LYS  29           QG       LYS  29  -8.582   0.758   1.018
  304    QD   LYS  29           QD       LYS  29 -10.297   2.253   1.583
  305    QE   LYS  29           QE       LYS  29  -8.700   3.693   0.374
  306    QZ   LYS  29           QZ       LYS  29 -10.827   4.288  -0.121
  307    H    ILE  30           H        ILE  30  -5.245   0.615   3.618
  308    HA   ILE  30           HA       ILE  30  -4.202   2.539   5.443
  309    HB   ILE  30           HB       ILE  30  -3.256  -0.269   4.741
  310   1HG1  ILE  30          2HG1      ILE  30  -4.971   0.390   7.105
  311   2HG1  ILE  30          1HG1      ILE  30  -5.736   0.326   5.518
  312   1HG2  ILE  30          1HG2      ILE  30  -1.728   1.265   6.171
  313   2HG2  ILE  30          3HG2      ILE  30  -2.973   1.113   7.412
  314   3HG2  ILE  30          2HG2      ILE  30  -2.134  -0.322   6.824
  315   1HD1  ILE  30          2HD1      ILE  30  -3.904  -1.921   6.029
  316   2HD1  ILE  30          1HD1      ILE  30  -5.278  -1.859   7.135
  317   3HD1  ILE  30          3HD1      ILE  30  -5.550  -1.931   5.394
  318    QG1  ILE  30           QG1      ILE  30  -5.354   0.358   6.312
  319    QG2  ILE  30           QG2      ILE  30  -2.278   0.685   6.802
  320    QD1  ILE  30           QD1      ILE  30  -4.911  -1.904   6.186
  321    H    PHE  31           H        PHE  31  -2.818   1.014   2.570
  322    HA   PHE  31           HA       PHE  31  -0.179   2.220   2.855
  323   1HB   PHE  31          2HB       PHE  31  -1.737   0.650   0.819
  324   2HB   PHE  31          1HB       PHE  31  -0.257   1.458   0.304
  325    HD1  PHE  31          1HD       PHE  31   1.587   1.241   2.460
  326    HD2  PHE  31          2HD       PHE  31  -1.356  -1.611   1.180
  327    HE1  PHE  31          1HE       PHE  31   2.933  -0.589   3.457
  328    HE2  PHE  31          2HE       PHE  31  -0.009  -3.444   2.178
  329   1HZ   PHE  31           HZ       PHE  31   2.134  -2.932   3.315
  330    QB   PHE  31           QB       PHE  31  -0.997   1.054   0.561
  331    QG   PHE  31           QD       PHE  31   0.115  -0.185   1.820
  332    QZ   PHE  31           QE       PHE  31   1.462  -2.017   2.817
  333    QZ   PHE  31           QR       PHE  31   1.058  -1.467   2.518
  334    H    LYS  32           H        LYS  32  -3.180   2.971   1.121
  335    HA   LYS  32           HA       LYS  32  -2.091   5.244  -0.297
  336   1HB   LYS  32          2HB       LYS  32  -4.802   4.044   0.150
  337   2HB   LYS  32          1HB       LYS  32  -4.637   5.602  -0.652
  338   1HG   LYS  32          2HG       LYS  32  -3.228   4.659  -2.367
  339   2HG   LYS  32          1HG       LYS  32  -3.145   3.113  -1.522
  340   1HD   LYS  32          2HD       LYS  32  -4.773   2.936  -3.326
  341   2HD   LYS  32          1HD       LYS  32  -5.628   2.900  -1.784
  342   1HE   LYS  32          2HE       LYS  32  -6.414   5.125  -2.030
  343   2HE   LYS  32          1HE       LYS  32  -5.218   5.494  -3.288
  344   1HZ   LYS  32          3HZ       LYS  32  -7.389   3.477  -3.518
  345   2HZ   LYS  32          2HZ       LYS  32  -7.394   5.008  -4.254
  346   3HZ   LYS  32          1HZ       LYS  32  -6.246   3.844  -4.715
  347    QB   LYS  32           QB       LYS  32  -4.720   4.823  -0.251
  348    QG   LYS  32           QG       LYS  32  -3.186   3.886  -1.944
  349    QD   LYS  32           QD       LYS  32  -5.201   2.918  -2.555
  350    QE   LYS  32           QE       LYS  32  -5.816   5.310  -2.659
  351    QZ   LYS  32           QZ       LYS  32  -7.009   4.110  -4.162
  352    H    GLN  33           H        GLN  33  -2.670   4.890   2.954
  353    HA   GLN  33           HA       GLN  33  -3.664   7.719   3.289
  354   1HB   GLN  33          2HB       GLN  33  -4.862   5.785   4.427
  355   2HB   GLN  33          1HB       GLN  33  -3.369   5.453   5.306
  356   1HG   GLN  33          2HG       GLN  33  -3.546   7.357   6.607
  357   2HG   GLN  33          1HG       GLN  33  -4.438   8.244   5.371
  358   1HE2  GLN  33          2HE2      GLN  33  -7.621   7.124   6.476
  359   2HE2  GLN  33          1HE2      GLN  33  -6.763   7.923   5.249
  360    QB   GLN  33           QB       GLN  33  -4.116   5.619   4.866
  361    QG   GLN  33           QG       GLN  33  -3.992   7.800   5.989
  362    QE2  GLN  33           QE2      GLN  33  -7.192   7.524   5.862
  363    H    TYR  34           H        TYR  34  -1.382   5.284   4.282
  364    HA   TYR  34           HA       TYR  34   0.547   6.713   5.759
  365   1HB   TYR  34          2HB       TYR  34   0.602   4.359   5.660
  366   2HB   TYR  34          1HB       TYR  34   0.329   4.340   3.911
  367    HD1  TYR  34          1HD       TYR  34   2.251   4.942   2.378
  368    HD2  TYR  34          2HD       TYR  34   2.802   4.412   6.604
  369    HE1  TYR  34          1HE       TYR  34   4.695   4.730   2.032
  370    HE2  TYR  34          2HE       TYR  34   5.250   4.197   6.256
  371    HH   TYR  34           HH       TYR  34   6.931   4.901   4.567
  372    QB   TYR  34           QB       TYR  34   0.465   4.349   4.785
  373    QG   TYR  34           QD       TYR  34   2.527   4.677   4.491
  374    QZ   TYR  34           QE       TYR  34   4.972   4.463   4.144
  375    QR   TYR  34           QR       TYR  34   3.749   4.570   4.317
  376    H    ALA  35           H        ALA  35   0.308   6.145   2.229
  377    HA   ALA  35           HA       ALA  35   2.636   7.539   1.344
  378   1HB   ALA  35          1HB       ALA  35  -0.040   6.768   0.228
  379   2HB   ALA  35          3HB       ALA  35   0.974   7.865  -0.709
  380   3HB   ALA  35          2HB       ALA  35   1.569   6.258  -0.282
  381    QB   ALA  35           QB       ALA  35   0.834   6.964  -0.254
  382    H    ASN  36           H        ASN  36  -0.735   8.720   1.676
  383    HA   ASN  36           HA       ASN  36  -0.322  11.406   0.860
  384   1HB   ASN  36          2HB       ASN  36  -2.250   9.911   2.589
  385   2HB   ASN  36          1HB       ASN  36  -2.324  11.672   2.580
  386   1HD2  ASN  36          2HD2      ASN  36  -2.900   9.858  -1.073
  387   2HD2  ASN  36          1HD2      ASN  36  -1.703   9.252  -0.033
  388    QB   ASN  36           QB       ASN  36  -2.287  10.791   2.584
  389    QD2  ASN  36           QD2      ASN  36  -2.301   9.555  -0.553
  390    H    ASP  37           H        ASP  37  -0.296  10.066   4.186
  391    HA   ASP  37           HA       ASP  37   0.344  12.441   5.580
  392   1HB   ASP  37          2HB       ASP  37   0.913   9.512   6.025
  393   2HB   ASP  37          1HB       ASP  37   1.376  10.727   7.217
  394    QB   ASP  37           QB       ASP  37   1.144  10.119   6.621
  395    H    ASN  38           H        ASN  38   2.364  10.413   3.624
  396    HA   ASN  38           HA       ASN  38   4.828  11.696   4.583
  397   1HB   ASN  38          2HB       ASN  38   4.049   9.256   3.054
  398   2HB   ASN  38          1HB       ASN  38   5.666   9.911   2.786
  399   1HD2  ASN  38          2HD2      ASN  38   4.986   7.772   6.099
  400   2HD2  ASN  38          1HD2      ASN  38   3.925   7.809   4.775
  401    QB   ASN  38           QB       ASN  38   4.858   9.584   2.920
  402    QD2  ASN  38           QD2      ASN  38   4.456   7.790   5.437
  403    H    GLY  39           H        GLY  39   2.671  11.624   1.821
  404   1HA   GLY  39          2HA       GLY  39   2.620  13.556   0.298
  405   2HA   GLY  39          1HA       GLY  39   4.366  13.702   0.505
  406    QA   GLY  39           QA       GLY  39   3.493  13.629   0.402
  407    H    ILE  40           H        ILE  40   2.687  10.646   0.001
  408    HA   ILE  40           HA       ILE  40   4.276  10.238  -2.482
  409    HB   ILE  40           HB       ILE  40   3.094   8.621  -0.282
  410   1HG1  ILE  40          2HG1      ILE  40   5.270   7.400  -0.650
  411   2HG1  ILE  40          1HG1      ILE  40   5.634   8.589  -1.902
  412   1HG2  ILE  40          1HG2      ILE  40   2.054   7.613  -2.349
  413   2HG2  ILE  40          3HG2      ILE  40   3.688   7.324  -2.950
  414   3HG2  ILE  40          2HG2      ILE  40   3.134   6.532  -1.472
  415   1HD1  ILE  40          1HD1      ILE  40   4.895   9.326   0.936
  416   2HD1  ILE  40          3HD1      ILE  40   6.566   9.170   0.372
  417   3HD1  ILE  40          2HD1      ILE  40   5.507  10.398  -0.330
  418    QG1  ILE  40           QG1      ILE  40   5.452   7.995  -1.276
  419    QG2  ILE  40           QG2      ILE  40   2.959   7.156  -2.257
  420    QD1  ILE  40           QD1      ILE  40   5.656   9.631   0.326
  421    H    ASP  41           H        ASP  41   3.224  10.790  -4.306
  422    HA   ASP  41           HA       ASP  41   0.507   9.750  -4.826
  423   1HB   ASP  41          2HB       ASP  41  -0.370  12.042  -5.299
  424   2HB   ASP  41          1HB       ASP  41   0.082  11.828  -3.609
  425    QB   ASP  41           QB       ASP  41  -0.144  11.935  -4.454
  426    H    GLY  42           H        GLY  42   1.128   8.721  -6.724
  427   1HA   GLY  42          2HA       GLY  42   1.567  10.307  -9.094
  428   2HA   GLY  42          1HA       GLY  42   3.052   9.499  -8.597
  429    QA   GLY  42           QA       GLY  42   2.310   9.903  -8.846
  430    H    GLU  43           H        GLU  43   2.113   7.062  -7.673
  431    HA   GLU  43           HA       GLU  43   0.514   5.904  -9.922
  432   1HB   GLU  43          2HB       GLU  43   3.016   5.870 -10.344
  433   2HB   GLU  43          1HB       GLU  43   3.171   4.816  -8.936
  434   1HG   GLU  43          2HG       GLU  43   1.716   3.153  -9.974
  435   2HG   GLU  43          1HG       GLU  43   1.435   4.219 -11.351
  436    QB   GLU  43           QB       GLU  43   3.093   5.343  -9.640
  437    QG   GLU  43           QG       GLU  43   1.575   3.686 -10.663
  438    H    TRP  44           H        TRP  44  -0.147   3.634  -9.427
  439    HA   TRP  44           HA       TRP  44   0.091   2.572  -6.697
  440   1HB   TRP  44          2HB       TRP  44  -2.322   4.103  -7.665
  441   2HB   TRP  44          1HB       TRP  44  -2.569   2.684  -6.635
  442    HD1  TRP  44           HD       TRP  44  -1.620   6.292  -6.458
  443    HE1  TRP  44          1HE       TRP  44  -0.939   6.869  -4.034
  444    HE3  TRP  44          3HE       TRP  44  -1.399   1.603  -4.517
  445    HZ2  TRP  44          2HZ       TRP  44  -0.375   5.495  -1.580
  446    HZ3  TRP  44          3HZ       TRP  44  -0.789   1.254  -2.126
  447    HH2  TRP  44           HH       TRP  44  -0.274   3.193  -0.671
  448    QB   TRP  44           QB       TRP  44  -2.445   3.393  -7.150
  449    H    THR  45           H        THR  45   0.404   0.464  -7.317
  450    HA   THR  45           HA       THR  45  -1.642  -0.767  -9.123
  451    HB   THR  45           HB       THR  45   0.071  -1.829 -10.417
  452    HG1  THR  45          1HG       THR  45   2.100  -2.001  -9.755
  453   1HG2  THR  45          3HG2      THR  45  -0.302   0.534 -11.004
  454   2HG2  THR  45          2HG2      THR  45   0.953   1.014  -9.860
  455   3HG2  THR  45          1HG2      THR  45   1.376   0.071 -11.292
  456    QG2  THR  45           QG2      THR  45   0.676   0.539 -10.719
  457    H    TYR  46           H        TYR  46  -2.397  -2.643  -8.277
  458    HA   TYR  46           HA       TYR  46  -1.090  -3.723  -5.842
  459   1HB   TYR  46          2HB       TYR  46  -3.456  -3.276  -5.709
  460   2HB   TYR  46          1HB       TYR  46  -3.765  -4.160  -7.206
  461    HD1  TYR  46          2HD       TYR  46  -1.847  -4.859  -4.054
  462    HD2  TYR  46          1HD       TYR  46  -4.823  -6.213  -6.838
  463    HE1  TYR  46          2HE       TYR  46  -2.085  -6.964  -2.773
  464    HE2  TYR  46          1HE       TYR  46  -5.053  -8.328  -5.561
  465    HH   TYR  46           HH       TYR  46  -2.873  -9.414  -3.396
  466    QB   TYR  46           QB       TYR  46  -3.611  -3.718  -6.458
  467    QG   TYR  46           QD       TYR  46  -3.335  -5.536  -5.446
  468    QZ   TYR  46           QE       TYR  46  -3.569  -7.646  -4.167
  469    QR   TYR  46           QR       TYR  46  -3.452  -6.591  -4.806
  470    H    ASP  47           H        ASP  47  -0.264  -5.817  -5.744
  471    HA   ASP  47           HA       ASP  47  -0.039  -7.288  -8.347
  472   1HB   ASP  47          2HB       ASP  47   2.027  -6.275  -7.291
  473   2HB   ASP  47          1HB       ASP  47   1.785  -7.362  -5.923
  474    QB   ASP  47           QB       ASP  47   1.906  -6.818  -6.607
  475    H    ASP  48           H        ASP  48  -1.814  -8.690  -8.115
  476    HA   ASP  48           HA       ASP  48  -2.520 -10.030  -5.656
  477   1HB   ASP  48          2HB       ASP  48  -4.009 -11.311  -7.181
  478   2HB   ASP  48          1HB       ASP  48  -4.085  -9.577  -7.492
  479    QB   ASP  48           QB       ASP  48  -4.047 -10.444  -7.336
  480    H    ALA  49           H        ALA  49   0.130 -10.559  -7.686
  481    HA   ALA  49           HA       ALA  49   0.208 -13.493  -7.358
  482   1HB   ALA  49          3HB       ALA  49   0.976 -11.816  -9.333
  483   2HB   ALA  49          2HB       ALA  49   2.490 -11.905  -8.432
  484   3HB   ALA  49          1HB       ALA  49   1.753 -13.377  -9.066
  485    QB   ALA  49           QB       ALA  49   1.739 -12.366  -8.944
  486    H    THR  50           H        THR  50   1.601 -10.556  -6.001
  487    HA   THR  50           HA       THR  50   3.171 -12.246  -4.082
  488    HB   THR  50           HB       THR  50   4.820 -10.378  -4.121
  489    HG1  THR  50          1HG       THR  50   4.520  -8.712  -5.548
  490   1HG2  THR  50          1HG2      THR  50   4.621 -12.374  -5.882
  491   2HG2  THR  50          3HG2      THR  50   4.388 -11.031  -7.000
  492   3HG2  THR  50          2HG2      THR  50   5.862 -11.128  -6.036
  493    QG2  THR  50           QG2      THR  50   4.957 -11.511  -6.306
  494    H    LYS  51           H        LYS  51   0.455 -10.422  -4.302
  495    HA   LYS  51           HA       LYS  51  -0.805  -9.141  -2.774
  496   1HB   LYS  51          2HB       LYS  51   1.129 -10.532  -0.885
  497   2HB   LYS  51          1HB       LYS  51  -0.392  -9.778  -0.408
  498   1HG   LYS  51          2HG       LYS  51  -0.588 -11.732  -2.630
  499   2HG   LYS  51          1HG       LYS  51  -0.160 -12.411  -1.059
  500   1HD   LYS  51          2HD       LYS  51  -2.116 -11.171  -0.071
  501   2HD   LYS  51          1HD       LYS  51  -2.588 -10.718  -1.710
  502   1HE   LYS  51          2HE       LYS  51  -3.834 -12.669  -1.478
  503   2HE   LYS  51          1HE       LYS  51  -2.323 -13.371  -2.089
  504   1HZ   LYS  51          2HZ       LYS  51  -2.962 -12.945   0.782
  505   2HZ   LYS  51          1HZ       LYS  51  -3.066 -14.438  -0.019
  506   3HZ   LYS  51          3HZ       LYS  51  -1.562 -13.679   0.162
  507    QB   LYS  51           QB       LYS  51   0.368 -10.155  -0.647
  508    QG   LYS  51           QG       LYS  51  -0.374 -12.071  -1.844
  509    QD   LYS  51           QD       LYS  51  -2.352 -10.945  -0.890
  510    QE   LYS  51           QE       LYS  51  -3.078 -13.020  -1.784
  511    QZ   LYS  51           QZ       LYS  51  -2.530 -13.688   0.309
  512    H    THR  52           H        THR  52   1.365  -7.767  -4.029
  513    HA   THR  52           HA       THR  52   2.121  -5.844  -1.843
  514    HB   THR  52           HB       THR  52   3.852  -6.610  -4.204
  515    HG1  THR  52          1HG       THR  52   3.742  -8.468  -3.112
  516   1HG2  THR  52          3HG2      THR  52   4.131  -4.959  -1.736
  517   2HG2  THR  52          2HG2      THR  52   5.544  -5.870  -2.268
  518   3HG2  THR  52          1HG2      THR  52   4.796  -4.693  -3.348
  519    QG2  THR  52           QG2      THR  52   4.823  -5.174  -2.451
  520    H    PHE  53           H        PHE  53   1.782  -3.690  -2.370
  521    HA   PHE  53           HA       PHE  53   0.551  -3.095  -4.994
  522   1HB   PHE  53          2HB       PHE  53   0.912  -1.586  -2.393
  523   2HB   PHE  53          1HB       PHE  53   0.119  -0.885  -3.804
  524    HD1  PHE  53          2HD       PHE  53  -0.019  -3.758  -1.423
  525    HD2  PHE  53          1HD       PHE  53  -2.161  -1.366  -4.288
  526    HE1  PHE  53          2HE       PHE  53  -2.140  -4.884  -0.780
  527    HE2  PHE  53          1HE       PHE  53  -4.269  -2.504  -3.646
  528   1HZ   PHE  53           HZ       PHE  53  -4.258  -4.256  -1.895
  529    QB   PHE  53           QB       PHE  53   0.516  -1.235  -3.099
  530    QG   PHE  53           QD       PHE  53  -1.090  -2.562  -2.855
  531    QZ   PHE  53           QE       PHE  53  -3.204  -3.694  -2.213
  532    QZ   PHE  53           QR       PHE  53  -2.569  -3.353  -2.406
  533    H    THR  54           H        THR  54   1.296  -0.516  -5.578
  534    HA   THR  54           HA       THR  54   4.227  -0.225  -5.336
  535    HB   THR  54           HB       THR  54   3.175  -0.222  -8.130
  536    HG1  THR  54          1HG       THR  54   3.819  -2.628  -6.779
  537   1HG2  THR  54          3HG2      THR  54   5.626   0.088  -7.040
  538   2HG2  THR  54          2HG2      THR  54   5.641  -1.653  -7.319
  539   3HG2  THR  54          1HG2      THR  54   5.370  -0.547  -8.665
  540    QG2  THR  54           QG2      THR  54   5.546  -0.704  -7.675
  541    H    VAL  55           H        VAL  55   4.009   1.855  -4.546
  542    HA   VAL  55           HA       VAL  55   2.383   3.744  -6.185
  543    HB   VAL  55           HB       VAL  55   1.452   3.321  -3.976
  544   1HG1  VAL  55          1HG1      VAL  55   4.245   4.019  -3.032
  545   2HG1  VAL  55          3HG1      VAL  55   2.842   3.977  -1.957
  546   3HG1  VAL  55          2HG1      VAL  55   3.358   2.507  -2.788
  547   1HG2  VAL  55          2HG2      VAL  55   2.847   6.005  -4.192
  548   2HG2  VAL  55          1HG2      VAL  55   1.210   5.612  -4.716
  549   3HG2  VAL  55          3HG2      VAL  55   1.601   5.642  -2.995
  550    QG1  VAL  55           QG1      VAL  55   3.481   3.501  -2.593
  551    QG2  VAL  55           QG2      VAL  55   1.886   5.753  -3.968
  552    QQG  VAL  55           QQG      VAL  55   2.684   4.627  -3.280
  553    H    THR  56           H        THR  56   3.200   5.863  -6.496
  554    HA   THR  56           HA       THR  56   5.937   6.515  -5.607
  555    HB   THR  56           HB       THR  56   5.997   4.944  -7.632
  556    HG1  THR  56          1HG       THR  56   7.579   6.339  -8.674
  557   1HG2  THR  56          2HG2      THR  56   4.129   6.709  -8.673
  558   2HG2  THR  56          1HG2      THR  56   5.617   7.139  -9.516
  559   3HG2  THR  56          3HG2      THR  56   5.015   5.481  -9.579
  560    QG2  THR  56           QG2      THR  56   4.920   6.443  -9.256
  561    H    GLU  57           H        GLU  57   6.418   8.561  -7.445
  562    HA   GLU  57           HA       GLU  57   4.043  10.365  -7.118
  563   1HB   GLU  57          2HB       GLU  57   5.798  10.736  -5.406
  564   2HB   GLU  57          1HB       GLU  57   6.985  10.988  -6.684
  565   1HG   GLU  57          2HG       GLU  57   4.477  12.629  -6.703
  566   2HG   GLU  57          1HG       GLU  57   5.759  13.053  -5.569
  567    QB   GLU  57           QB       GLU  57   6.391  10.862  -6.045
  568    QG   GLU  57           QG       GLU  57   5.118  12.841  -6.136
   
  No H/Q in entry =         568
  Start of MODEL   12
    1   1H    MET   1          2HT       MET   1  -0.294 -12.640   8.510
    2   2H    MET   1          1HT       MET   1  -1.873 -12.430   9.103
    3   3H    MET   1          3HT       MET   1  -0.913 -13.701   9.685
    4    HA   MET   1           HA       MET   1  -1.015 -14.864   7.630
    5   1HB   MET   1          2HB       MET   1  -3.125 -14.284   9.332
    6   2HB   MET   1          1HB       MET   1  -3.821 -13.971   7.741
    7   1HG   MET   1          2HG       MET   1  -4.226 -16.242   7.897
    8   2HG   MET   1          1HG       MET   1  -2.626 -16.278   7.157
    9   1HE   MET   1          2HE       MET   1  -1.475 -18.159   7.735
   10   2HE   MET   1          1HE       MET   1  -1.492 -19.041   9.260
   11   3HE   MET   1          3HE       MET   1  -2.961 -18.933   8.281
   12    QB   MET   1           QB       MET   1  -3.473 -14.128   8.536
   13    QG   MET   1           QG       MET   1  -3.426 -16.260   7.527
   14    QE   MET   1           QE       MET   1  -1.976 -18.711   8.425
   15    H    THR   2           H        THR   2  -2.646 -11.691   7.407
   16    HA   THR   2           HA       THR   2  -2.279 -11.790   4.431
   17    HB   THR   2           HB       THR   2  -4.251 -10.242   6.146
   18    HG1  THR   2          1HG       THR   2  -5.692 -11.796   5.556
   19   1HG2  THR   2          2HG2      THR   2  -3.613 -10.317   3.242
   20   2HG2  THR   2          1HG2      THR   2  -5.323 -10.295   3.674
   21   3HG2  THR   2          3HG2      THR   2  -4.258  -8.998   4.219
   22    QG2  THR   2           QG2      THR   2  -4.398  -9.870   3.712
   23    H    THR   3           H        THR   3  -0.017 -11.026   5.700
   24    HA   THR   3           HA       THR   3   0.086  -8.172   6.311
   25    HB   THR   3           HB       THR   3   2.397  -9.989   5.615
   26    HG1  THR   3          1HG       THR   3   0.836  -9.899   7.977
   27   1HG2  THR   3          2HG2      THR   3   2.483  -7.428   6.257
   28   2HG2  THR   3          1HG2      THR   3   2.271  -8.050   7.894
   29   3HG2  THR   3          3HG2      THR   3   3.660  -8.556   6.933
   30    QG2  THR   3           QG2      THR   3   2.805  -8.011   7.028
   31    H    PHE   4           H        PHE   4  -0.679  -7.097   4.409
   32    HA   PHE   4           HA       PHE   4   0.443  -7.632   1.769
   33   1HB   PHE   4          2HB       PHE   4  -1.429  -5.688   3.069
   34   2HB   PHE   4          1HB       PHE   4  -0.780  -5.281   1.479
   35    HD1  PHE   4          1HD       PHE   4  -0.841  -7.236  -0.296
   36    HD2  PHE   4          2HD       PHE   4  -3.338  -7.028   3.191
   37    HE1  PHE   4          1HE       PHE   4  -2.448  -8.795  -1.356
   38    HE2  PHE   4          2HE       PHE   4  -4.948  -8.585   2.125
   39   1HZ   PHE   4           HZ       PHE   4  -4.503  -9.471  -0.144
   40    QB   PHE   4           QB       PHE   4  -1.105  -5.485   2.274
   41    QG   PHE   4           QD       PHE   4  -2.090  -7.132   1.448
   42    QZ   PHE   4           QE       PHE   4  -3.698  -8.690   0.385
   43    QZ   PHE   4           QR       PHE   4  -3.216  -8.223   0.704
   44    H    LYS   5           H        LYS   5   2.029  -6.424   0.687
   45    HA   LYS   5           HA       LYS   5   3.679  -4.617   2.410
   46   1HB   LYS   5          2HB       LYS   5   4.312  -6.115  -0.161
   47   2HB   LYS   5          1HB       LYS   5   5.473  -5.228   0.823
   48   1HG   LYS   5          2HG       LYS   5   4.540  -6.811   2.744
   49   2HG   LYS   5          1HG       LYS   5   4.130  -7.844   1.375
   50   1HD   LYS   5          2HD       LYS   5   6.883  -6.645   1.709
   51   2HD   LYS   5          1HD       LYS   5   6.446  -8.202   2.413
   52   1HE   LYS   5          2HE       LYS   5   5.939  -9.126   0.226
   53   2HE   LYS   5          1HE       LYS   5   6.151  -7.539  -0.538
   54   1HZ   LYS   5          2HZ       LYS   5   8.255  -8.892   1.060
   55   2HZ   LYS   5          1HZ       LYS   5   8.161  -8.988  -0.633
   56   3HZ   LYS   5          3HZ       LYS   5   8.424  -7.490   0.116
   57    QB   LYS   5           QB       LYS   5   4.892  -5.672   0.331
   58    QG   LYS   5           QG       LYS   5   4.335  -7.328   2.060
   59    QD   LYS   5           QD       LYS   5   6.665  -7.423   2.061
   60    QE   LYS   5           QE       LYS   5   6.045  -8.332  -0.156
   61    QZ   LYS   5           QZ       LYS   5   8.280  -8.457   0.181
   62    H    LEU   6           H        LEU   6   4.961  -3.007   0.808
   63    HA   LEU   6           HA       LEU   6   3.304  -1.957  -1.392
   64   1HB   LEU   6          2HB       LEU   6   2.206  -1.094   0.626
   65   2HB   LEU   6          1HB       LEU   6   3.744  -0.475   1.224
   66    HG   LEU   6           HG       LEU   6   3.758   0.802  -1.106
   67   1HD1  LEU   6          2HD1      LEU   6   0.984  -0.205  -0.785
   68   2HD1  LEU   6          1HD1      LEU   6   1.141   1.489  -1.248
   69   3HD1  LEU   6          3HD1      LEU   6   1.862   0.231  -2.250
   70   1HD2  LEU   6          1HD2      LEU   6   3.338   1.528   1.477
   71   2HD2  LEU   6          3HD2      LEU   6   3.287   2.669   0.133
   72   3HD2  LEU   6          2HD2      LEU   6   1.790   1.993   0.773
   73    QB   LEU   6           QB       LEU   6   2.975  -0.785   0.925
   74    QD1  LEU   6           QD1      LEU   6   1.329   0.505  -1.428
   75    QD2  LEU   6           QD2      LEU   6   2.805   2.063   0.794
   76    QQD  LEU   6           QQD      LEU   6   2.067   1.284  -0.317
   77    H    ILE   7           H        ILE   7   4.968  -1.740  -2.855
   78    HA   ILE   7           HA       ILE   7   7.649  -0.844  -1.999
   79    HB   ILE   7           HB       ILE   7   6.461  -1.535  -4.714
   80   1HG1  ILE   7          2HG1      ILE   7   8.290  -3.266  -3.044
   81   2HG1  ILE   7          1HG1      ILE   7   6.538  -3.342  -2.855
   82   1HG2  ILE   7          2HG2      ILE   7   8.718  -0.132  -4.337
   83   2HG2  ILE   7          1HG2      ILE   7   9.371  -1.752  -4.098
   84   3HG2  ILE   7          3HG2      ILE   7   8.572  -1.339  -5.614
   85   1HD1  ILE   7          3HD1      ILE   7   7.951  -3.667  -5.514
   86   2HD1  ILE   7          2HD1      ILE   7   7.473  -5.021  -4.491
   87   3HD1  ILE   7          1HD1      ILE   7   6.245  -3.954  -5.172
   88    QG1  ILE   7           QG1      ILE   7   7.414  -3.304  -2.949
   89    QG2  ILE   7           QG2      ILE   7   8.887  -1.074  -4.683
   90    QD1  ILE   7           QD1      ILE   7   7.223  -4.214  -5.059
   91    H    ILE   8           H        ILE   8   8.145   1.330  -2.000
   92    HA   ILE   8           HA       ILE   8   6.217   3.192  -3.226
   93    HB   ILE   8           HB       ILE   8   8.774   3.948  -1.821
   94   1HG1  ILE   8          2HG1      ILE   8   7.475   2.254  -0.428
   95   2HG1  ILE   8          1HG1      ILE   8   7.706   3.816   0.333
   96   1HG2  ILE   8          3HG2      ILE   8   6.128   5.216  -2.459
   97   2HG2  ILE   8          2HG2      ILE   8   7.054   5.796  -1.069
   98   3HG2  ILE   8          1HG2      ILE   8   7.761   5.857  -2.684
   99   1HD1  ILE   8          3HD1      ILE   8   5.276   3.943  -1.143
  100   2HD1  ILE   8          2HD1      ILE   8   5.251   2.445  -0.221
  101   3HD1  ILE   8          1HD1      ILE   8   5.484   3.987   0.604
  102    QG1  ILE   8           QG1      ILE   8   7.590   3.035  -0.047
  103    QG2  ILE   8           QG2      ILE   8   6.981   5.623  -2.071
  104    QD1  ILE   8           QD1      ILE   8   5.337   3.459  -0.253
  105    H    ASN   9           H        ASN   9   6.525   3.475  -5.425
  106    HA   ASN   9           HA       ASN   9   9.274   3.456  -6.546
  107   1HB   ASN   9          2HB       ASN   9   7.373   2.202  -7.571
  108   2HB   ASN   9          1HB       ASN   9   6.545   3.734  -7.850
  109   1HD2  ASN   9          2HD2      ASN   9   8.333   4.391 -10.806
  110   2HD2  ASN   9          1HD2      ASN   9   6.998   4.747  -9.820
  111    QB   ASN   9           QB       ASN   9   6.959   2.968  -7.711
  112    QD2  ASN   9           QD2      ASN   9   7.666   4.569 -10.313
  113    H    GLY  10           H        GLY  10   9.122   5.631  -4.943
  114   1HA   GLY  10          2HA       GLY  10   8.919   7.885  -6.883
  115   2HA   GLY  10          1HA       GLY  10   8.149   8.038  -5.303
  116    QA   GLY  10           QA       GLY  10   8.534   7.961  -6.093
  117    H    LYS  11           H        LYS  11   9.402   9.430  -4.148
  118    HA   LYS  11           HA       LYS  11  12.239   8.699  -3.676
  119   1HB   LYS  11          2HB       LYS  11  12.948  11.016  -4.256
  120   2HB   LYS  11          1HB       LYS  11  12.249  10.179  -5.640
  121   1HG   LYS  11          2HG       LYS  11  10.172  11.349  -5.418
  122   2HG   LYS  11          1HG       LYS  11  10.623  11.985  -3.837
  123   1HD   LYS  11          2HD       LYS  11  12.515  12.635  -6.017
  124   2HD   LYS  11          1HD       LYS  11  10.918  13.364  -6.181
  125   1HE   LYS  11          2HE       LYS  11  11.949  14.972  -4.850
  126   2HE   LYS  11          1HE       LYS  11  11.318  13.904  -3.580
  127   1HZ   LYS  11          1HZ       LYS  11  13.966  13.487  -4.847
  128   2HZ   LYS  11          3HZ       LYS  11  13.770  14.426  -3.449
  129   3HZ   LYS  11          2HZ       LYS  11  13.363  12.776  -3.426
  130    QB   LYS  11           QB       LYS  11  12.599  10.597  -4.948
  131    QG   LYS  11           QG       LYS  11  10.397  11.667  -4.628
  132    QD   LYS  11           QD       LYS  11  11.716  12.999  -6.099
  133    QE   LYS  11           QE       LYS  11  11.633  14.438  -4.215
  134    QZ   LYS  11           QZ       LYS  11  13.700  13.563  -3.907
  135    H    THR  12           H        THR  12  10.220   8.429  -1.820
  136    HA   THR  12           HA       THR  12  10.845  10.620   0.120
  137    HB   THR  12           HB       THR  12   8.345  10.307   0.783
  138    HG1  THR  12          1HG       THR  12   7.070   9.556  -0.908
  139   1HG2  THR  12          1HG2      THR  12   9.521  11.759  -1.532
  140   2HG2  THR  12          3HG2      THR  12   7.760  11.708  -1.439
  141   3HG2  THR  12          2HG2      THR  12   8.696  12.390  -0.108
  142    QG2  THR  12           QG2      THR  12   8.659  11.952  -1.026
  143    H    LEU  13           H        LEU  13   8.997   7.546  -0.065
  144    HA   LEU  13           HA       LEU  13  10.045   6.766   2.604
  145   1HB   LEU  13          2HB       LEU  13   7.845   5.909   0.741
  146   2HB   LEU  13          1HB       LEU  13   8.348   4.839   2.048
  147    HG   LEU  13           HG       LEU  13   7.640   7.737   2.516
  148   1HD1  LEU  13          3HD1      LEU  13   5.887   5.408   2.026
  149   2HD1  LEU  13          2HD1      LEU  13   5.521   6.304   3.502
  150   3HD1  LEU  13          1HD1      LEU  13   5.523   7.132   1.948
  151   1HD2  LEU  13          3HD2      LEU  13   8.967   6.082   4.134
  152   2HD2  LEU  13          2HD2      LEU  13   7.770   7.211   4.768
  153   3HD2  LEU  13          1HD2      LEU  13   7.336   5.521   4.504
  154    QB   LEU  13           QB       LEU  13   8.096   5.374   1.395
  155    QD1  LEU  13           QD1      LEU  13   5.643   6.281   2.492
  156    QD2  LEU  13           QD2      LEU  13   8.024   6.271   4.469
  157    QQD  LEU  13           QQD      LEU  13   6.834   6.276   3.480
  158    H    LYS  14           H        LYS  14   9.681   5.256  -0.629
  159    HA   LYS  14           HA       LYS  14  10.935   3.561  -1.692
  160   1HB   LYS  14          2HB       LYS  14  12.960   5.103  -0.055
  161   2HB   LYS  14          1HB       LYS  14  13.442   3.812  -1.158
  162   1HG   LYS  14          2HG       LYS  14  11.858   5.168  -2.832
  163   2HG   LYS  14          1HG       LYS  14  12.306   6.504  -1.770
  164   1HD   LYS  14          2HD       LYS  14  14.520   6.443  -2.394
  165   2HD   LYS  14          1HD       LYS  14  14.499   4.703  -2.682
  166   1HE   LYS  14          2HE       LYS  14  12.932   5.274  -4.688
  167   2HE   LYS  14          1HE       LYS  14  13.572   6.920  -4.505
  168   1HZ   LYS  14          1HZ       LYS  14  15.295   4.507  -4.618
  169   2HZ   LYS  14          3HZ       LYS  14  14.916   5.432  -5.987
  170   3HZ   LYS  14          2HZ       LYS  14  15.782   6.133  -4.705
  171    QB   LYS  14           QB       LYS  14  13.201   4.457  -0.607
  172    QG   LYS  14           QG       LYS  14  12.082   5.836  -2.301
  173    QD   LYS  14           QD       LYS  14  14.510   5.573  -2.538
  174    QE   LYS  14           QE       LYS  14  13.252   6.097  -4.596
  175    QZ   LYS  14           QZ       LYS  14  15.331   5.357  -5.103
  176    H    GLY  15           H        GLY  15   9.762   1.884  -0.435
  177   1HA   GLY  15          2HA       GLY  15  11.491   0.005   0.824
  178   2HA   GLY  15          1HA       GLY  15  10.627   0.882   2.085
  179    QA   GLY  15           QA       GLY  15  11.059   0.443   1.454
  180    H    GLU  16           H        GLU  16   9.763  -1.401   2.441
  181    HA   GLU  16           HA       GLU  16   7.507  -2.033   0.569
  182   1HB   GLU  16          2HB       GLU  16   9.216  -3.645   2.474
  183   2HB   GLU  16          1HB       GLU  16   7.731  -4.294   1.776
  184   1HG   GLU  16          2HG       GLU  16   8.594  -4.318  -0.385
  185   2HG   GLU  16          1HG       GLU  16   9.763  -3.043  -0.041
  186    QB   GLU  16           QB       GLU  16   8.474  -3.969   2.125
  187    QG   GLU  16           QG       GLU  16   9.178  -3.681  -0.213
  188    H    ILE  17           H        ILE  17   8.341  -2.092   4.062
  189    HA   ILE  17           HA       ILE  17   6.974  -1.825   5.975
  190    HB   ILE  17           HB       ILE  17   5.450  -0.149   3.949
  191   1HG1  ILE  17          2HG1      ILE  17   7.834   0.469   4.118
  192   2HG1  ILE  17          1HG1      ILE  17   6.815   1.717   4.827
  193   1HG2  ILE  17          3HG2      ILE  17   5.225  -0.529   6.894
  194   2HG2  ILE  17          2HG2      ILE  17   5.096   1.124   6.293
  195   3HG2  ILE  17          1HG2      ILE  17   3.982  -0.113   5.713
  196   1HD1  ILE  17          3HD1      ILE  17   7.305   0.030   6.975
  197   2HD1  ILE  17          2HD1      ILE  17   8.837   0.017   6.103
  198   3HD1  ILE  17          1HD1      ILE  17   8.149   1.545   6.651
  199    QG1  ILE  17           QG1      ILE  17   7.324   1.093   4.473
  200    QG2  ILE  17           QG2      ILE  17   4.767   0.161   6.300
  201    QD1  ILE  17           QD1      ILE  17   8.097   0.531   6.576
  202    H    THR  18           H        THR  18   6.336  -4.122   5.833
  203    HA   THR  18           HA       THR  18   3.913  -4.921   4.424
  204    HB   THR  18           HB       THR  18   4.339  -7.046   5.609
  205    HG1  THR  18          1HG       THR  18   5.564  -7.110   7.335
  206   1HG2  THR  18          2HG2      THR  18   5.981  -5.867   3.755
  207   2HG2  THR  18          1HG2      THR  18   7.122  -6.268   5.039
  208   3HG2  THR  18          3HG2      THR  18   6.135  -7.534   4.310
  209    QG2  THR  18           QG2      THR  18   6.413  -6.556   4.368
  210    H    ILE  19           H        ILE  19   1.831  -4.890   5.198
  211    HA   ILE  19           HA       ILE  19   1.397  -4.490   8.133
  212    HB   ILE  19           HB       ILE  19  -0.273  -2.744   7.591
  213   1HG1  ILE  19          2HG1      ILE  19   0.141  -1.882   5.069
  214   2HG1  ILE  19          1HG1      ILE  19   0.389  -3.609   4.816
  215   1HG2  ILE  19          1HG2      ILE  19   2.179  -2.217   7.964
  216   2HG2  ILE  19          3HG2      ILE  19   2.351  -2.133   6.211
  217   3HG2  ILE  19          2HG2      ILE  19   1.289  -1.001   7.049
  218   1HD1  ILE  19          2HD1      ILE  19  -1.842  -3.714   6.326
  219   2HD1  ILE  19          1HD1      ILE  19  -2.086  -2.138   5.572
  220   3HD1  ILE  19          3HD1      ILE  19  -1.894  -3.575   4.568
  221    QG1  ILE  19           QG1      ILE  19   0.265  -2.745   4.942
  222    QG2  ILE  19           QG2      ILE  19   1.940  -1.784   7.075
  223    QD1  ILE  19           QD1      ILE  19  -1.941  -3.142   5.488
  224    H    GLU  20           H        GLU  20  -0.388  -5.598   8.928
  225    HA   GLU  20           HA       GLU  20  -1.619  -7.618   7.193
  226   1HB   GLU  20          2HB       GLU  20  -0.880  -7.493   9.797
  227   2HB   GLU  20          1HB       GLU  20  -2.592  -7.099   9.956
  228   1HG   GLU  20          2HG       GLU  20  -1.870  -9.393   8.190
  229   2HG   GLU  20          1HG       GLU  20  -1.735  -9.633   9.931
  230    QB   GLU  20           QB       GLU  20  -1.736  -7.296   9.876
  231    QG   GLU  20           QG       GLU  20  -1.802  -9.513   9.060
  232    H    ALA  21           H        ALA  21  -3.873  -7.749   6.720
  233    HA   ALA  21           HA       ALA  21  -5.732  -5.648   7.573
  234   1HB   ALA  21          3HB       ALA  21  -4.300  -5.651   4.947
  235   2HB   ALA  21          2HB       ALA  21  -5.990  -5.149   4.956
  236   3HB   ALA  21          1HB       ALA  21  -4.808  -4.285   5.941
  237    QB   ALA  21           QB       ALA  21  -5.033  -5.028   5.282
  238    H    VAL  22           H        VAL  22  -7.920  -6.056   6.672
  239    HA   VAL  22           HA       VAL  22  -8.739  -8.743   6.698
  240    HB   VAL  22           HB       VAL  22 -10.183  -6.781   7.059
  241   1HG1  VAL  22          2HG1      VAL  22  -9.023  -5.522   5.099
  242   2HG1  VAL  22          1HG1      VAL  22 -10.214  -6.328   4.079
  243   3HG1  VAL  22          3HG1      VAL  22 -10.744  -5.245   5.365
  244   1HG2  VAL  22          3HG2      VAL  22 -11.136  -8.991   6.270
  245   2HG2  VAL  22          2HG2      VAL  22 -12.140  -7.589   5.905
  246   3HG2  VAL  22          1HG2      VAL  22 -11.157  -8.322   4.638
  247    QG1  VAL  22           QG1      VAL  22  -9.993  -5.698   4.847
  248    QG2  VAL  22           QG2      VAL  22 -11.478  -8.301   5.604
  249    QQG  VAL  22           QQG      VAL  22 -10.736  -7.000   5.226
  250    H    ASP  23           H        ASP  23  -7.913  -6.679   3.925
  251    HA   ASP  23           HA       ASP  23  -7.355  -9.048   2.262
  252   1HB   ASP  23          2HB       ASP  23  -9.749  -7.253   1.979
  253   2HB   ASP  23          1HB       ASP  23  -9.011  -7.922   0.522
  254    QB   ASP  23           QB       ASP  23  -9.380  -7.588   1.250
  255    H    ALA  24           H        ALA  24  -6.715  -8.136  -0.061
  256    HA   ALA  24           HA       ALA  24  -4.602  -6.235   0.287
  257   1HB   ALA  24          3HB       ALA  24  -5.255  -8.066  -1.574
  258   2HB   ALA  24          2HB       ALA  24  -5.862  -6.626  -2.391
  259   3HB   ALA  24          1HB       ALA  24  -4.163  -6.725  -1.923
  260    QB   ALA  24           QB       ALA  24  -5.093  -7.139  -1.963
  261    H    ALA  25           H        ALA  25  -7.974  -5.905  -0.723
  262    HA   ALA  25           HA       ALA  25  -7.982  -3.299  -1.792
  263   1HB   ALA  25          1HB       ALA  25  -9.885  -4.877  -1.778
  264   2HB   ALA  25          3HB       ALA  25 -10.024  -4.693  -0.029
  265   3HB   ALA  25          2HB       ALA  25 -10.362  -3.325  -1.090
  266    QB   ALA  25           QB       ALA  25 -10.090  -4.299  -0.965
  267    H    GLU  26           H        GLU  26  -8.465  -4.316   1.598
  268    HA   GLU  26           HA       GLU  26  -8.615  -1.677   2.725
  269   1HB   GLU  26          2HB       GLU  26  -9.144  -4.104   3.629
  270   2HB   GLU  26          1HB       GLU  26  -7.465  -4.062   4.163
  271   1HG   GLU  26          2HG       GLU  26  -8.536  -3.161   6.022
  272   2HG   GLU  26          1HG       GLU  26  -8.148  -1.695   5.119
  273    QB   GLU  26           QB       GLU  26  -8.305  -4.083   3.896
  274    QG   GLU  26           QG       GLU  26  -8.342  -2.428   5.570
  275    H    ALA  27           H        ALA  27  -5.892  -3.943   2.260
  276    HA   ALA  27           HA       ALA  27  -3.810  -2.504   3.518
  277   1HB   ALA  27          2HB       ALA  27  -4.132  -4.536   1.402
  278   2HB   ALA  27          1HB       ALA  27  -2.638  -3.604   1.272
  279   3HB   ALA  27          3HB       ALA  27  -2.998  -4.495   2.753
  280    QB   ALA  27           QB       ALA  27  -3.256  -4.212   1.809
  281    H    GLU  28           H        GLU  28  -5.028  -2.220   0.166
  282    HA   GLU  28           HA       GLU  28  -3.233  -0.203  -0.746
  283   1HB   GLU  28          2HB       GLU  28  -5.084  -1.673  -1.918
  284   2HB   GLU  28          1HB       GLU  28  -6.131  -0.302  -1.554
  285   1HG   GLU  28          2HG       GLU  28  -4.054   1.051  -2.580
  286   2HG   GLU  28          1HG       GLU  28  -3.821  -0.473  -3.443
  287    QB   GLU  28           QB       GLU  28  -5.608  -0.987  -1.736
  288    QG   GLU  28           QG       GLU  28  -3.938   0.289  -3.012
  289    H    LYS  29           H        LYS  29  -6.272   0.011   1.098
  290    HA   LYS  29           HA       LYS  29  -6.509   2.897   1.022
  291   1HB   LYS  29          2HB       LYS  29  -7.444   0.854   3.072
  292   2HB   LYS  29          1HB       LYS  29  -8.070   2.489   2.905
  293   1HG   LYS  29          2HG       LYS  29  -8.175   0.392   0.722
  294   2HG   LYS  29          1HG       LYS  29  -9.512   0.759   1.805
  295   1HD   LYS  29          2HD       LYS  29  -8.177   2.761  -0.040
  296   2HD   LYS  29          1HD       LYS  29  -9.696   1.940  -0.378
  297   1HE   LYS  29          2HE       LYS  29  -9.178   3.806   1.970
  298   2HE   LYS  29          1HE       LYS  29 -10.168   4.166   0.546
  299   1HZ   LYS  29          3HZ       LYS  29 -11.404   2.035   1.127
  300   2HZ   LYS  29          2HZ       LYS  29 -10.654   2.140   2.648
  301   3HZ   LYS  29          1HZ       LYS  29 -11.686   3.380   2.121
  302    QB   LYS  29           QB       LYS  29  -7.757   1.672   2.988
  303    QG   LYS  29           QG       LYS  29  -8.844   0.575   1.263
  304    QD   LYS  29           QD       LYS  29  -8.937   2.350  -0.209
  305    QE   LYS  29           QE       LYS  29  -9.673   3.986   1.258
  306    QZ   LYS  29           QZ       LYS  29 -11.248   2.518   1.965
  307    H    ILE  30           H        ILE  30  -5.303   0.645   3.521
  308    HA   ILE  30           HA       ILE  30  -4.289   2.556   5.367
  309    HB   ILE  30           HB       ILE  30  -3.374  -0.252   4.625
  310   1HG1  ILE  30          2HG1      ILE  30  -5.090   0.605   6.963
  311   2HG1  ILE  30          1HG1      ILE  30  -5.793   0.196   5.398
  312   1HG2  ILE  30          1HG2      ILE  30  -2.609   1.616   6.855
  313   2HG2  ILE  30          3HG2      ILE  30  -2.679  -0.118   7.172
  314   3HG2  ILE  30          2HG2      ILE  30  -1.593   0.509   5.932
  315   1HD1  ILE  30          2HD1      ILE  30  -3.813  -1.743   6.456
  316   2HD1  ILE  30          1HD1      ILE  30  -5.333  -1.638   7.345
  317   3HD1  ILE  30          3HD1      ILE  30  -5.342  -2.032   5.626
  318    QG1  ILE  30           QG1      ILE  30  -5.441   0.400   6.180
  319    QG2  ILE  30           QG2      ILE  30  -2.294   0.669   6.653
  320    QD1  ILE  30           QD1      ILE  30  -4.829  -1.804   6.476
  321    H    PHE  31           H        PHE  31  -2.827   1.065   2.499
  322    HA   PHE  31           HA       PHE  31  -0.221   2.326   2.833
  323   1HB   PHE  31          2HB       PHE  31  -1.712   0.803   0.697
  324   2HB   PHE  31          1HB       PHE  31  -0.173   1.575   0.312
  325    HD1  PHE  31          1HD       PHE  31   1.495   1.243   2.601
  326    HD2  PHE  31          2HD       PHE  31  -1.424  -1.481   1.017
  327    HE1  PHE  31          1HE       PHE  31   2.711  -0.657   3.634
  328    HE2  PHE  31          2HE       PHE  31  -0.208  -3.382   2.049
  329   1HZ   PHE  31           HZ       PHE  31   1.858  -2.970   3.356
  330    QB   PHE  31           QB       PHE  31  -0.943   1.189   0.505
  331    QG   PHE  31           QD       PHE  31   0.036  -0.119   1.809
  332    QZ   PHE  31           QE       PHE  31   1.252  -2.019   2.842
  333    QZ   PHE  31           QR       PHE  31   0.887  -1.449   2.532
  334    H    LYS  32           H        LYS  32  -3.223   3.061   1.123
  335    HA   LYS  32           HA       LYS  32  -2.195   5.319  -0.350
  336   1HB   LYS  32          2HB       LYS  32  -4.877   4.132   0.262
  337   2HB   LYS  32          1HB       LYS  32  -4.769   5.701  -0.537
  338   1HG   LYS  32          2HG       LYS  32  -3.114   3.422  -1.565
  339   2HG   LYS  32          1HG       LYS  32  -4.826   3.501  -1.985
  340   1HD   LYS  32          2HD       LYS  32  -2.898   5.804  -2.383
  341   2HD   LYS  32          1HD       LYS  32  -3.306   4.643  -3.645
  342   1HE   LYS  32          2HE       LYS  32  -5.758   5.249  -3.238
  343   2HE   LYS  32          1HE       LYS  32  -5.156   6.611  -2.272
  344   1HZ   LYS  32          2HZ       LYS  32  -3.730   7.218  -4.175
  345   2HZ   LYS  32          1HZ       LYS  32  -4.477   6.005  -5.101
  346   3HZ   LYS  32          3HZ       LYS  32  -5.385   7.322  -4.542
  347    QB   LYS  32           QB       LYS  32  -4.823   4.916  -0.137
  348    QG   LYS  32           QG       LYS  32  -3.970   3.462  -1.775
  349    QD   LYS  32           QD       LYS  32  -3.102   5.223  -3.014
  350    QE   LYS  32           QE       LYS  32  -5.457   5.930  -2.755
  351    QZ   LYS  32           QZ       LYS  32  -4.531   6.848  -4.606
  352    H    GLN  33           H        GLN  33  -2.766   4.950   2.947
  353    HA   GLN  33           HA       GLN  33  -3.533   7.848   3.299
  354   1HB   GLN  33          2HB       GLN  33  -4.902   6.025   4.411
  355   2HB   GLN  33          1HB       GLN  33  -3.450   5.534   5.285
  356   1HG   GLN  33          2HG       GLN  33  -3.393   7.496   6.558
  357   2HG   GLN  33          1HG       GLN  33  -4.363   8.396   5.393
  358   1HE2  GLN  33          2HE2      GLN  33  -7.103   7.837   7.564
  359   2HE2  GLN  33          1HE2      GLN  33  -6.065   8.984   6.865
  360    QB   GLN  33           QB       GLN  33  -4.176   5.779   4.848
  361    QG   GLN  33           QG       GLN  33  -3.878   7.946   5.975
  362    QE2  GLN  33           QE2      GLN  33  -6.584   8.410   7.215
  363    H    TYR  34           H        TYR  34  -1.451   5.232   4.288
  364    HA   TYR  34           HA       TYR  34   0.575   6.457   5.806
  365   1HB   TYR  34          2HB       TYR  34   0.501   4.116   5.603
  366   2HB   TYR  34          1HB       TYR  34   0.180   4.185   3.866
  367    HD1  TYR  34          1HD       TYR  34   2.883   5.115   6.338
  368    HD2  TYR  34          2HD       TYR  34   1.934   3.566   2.446
  369    HE1  TYR  34          1HE       TYR  34   5.293   4.714   5.909
  370    HE2  TYR  34          2HE       TYR  34   4.343   3.165   2.018
  371    HH   TYR  34           HH       TYR  34   6.398   2.856   3.231
  372    QB   TYR  34           QB       TYR  34   0.340   4.151   4.735
  373    QG   TYR  34           QD       TYR  34   2.408   4.340   4.392
  374    QZ   TYR  34           QE       TYR  34   4.818   3.940   3.963
  375    QR   TYR  34           QR       TYR  34   3.613   4.140   4.178
  376    H    ALA  35           H        ALA  35  -0.024   6.438   2.331
  377    HA   ALA  35           HA       ALA  35   2.466   7.522   1.364
  378   1HB   ALA  35          1HB       ALA  35  -0.317   7.048   0.453
  379   2HB   ALA  35          3HB       ALA  35   0.518   8.366  -0.378
  380   3HB   ALA  35          2HB       ALA  35   1.205   6.736  -0.381
  381    QB   ALA  35           QB       ALA  35   0.468   7.383  -0.102
  382    H    ASN  36           H        ASN  36  -0.719   9.116   1.618
  383    HA   ASN  36           HA       ASN  36   0.102  11.802   1.327
  384   1HB   ASN  36          2HB       ASN  36  -2.174  10.454   2.790
  385   2HB   ASN  36          1HB       ASN  36  -2.079  12.206   2.610
  386   1HD2  ASN  36          2HD2      ASN  36  -3.056   9.895  -0.613
  387   2HD2  ASN  36          1HD2      ASN  36  -2.552   9.174   0.839
  388    QB   ASN  36           QB       ASN  36  -2.126  11.330   2.700
  389    QD2  ASN  36           QD2      ASN  36  -2.804   9.535   0.113
  390    H    ASP  37           H        ASP  37  -0.238   9.871   4.305
  391    HA   ASP  37           HA       ASP  37   0.177  11.800   6.282
  392   1HB   ASP  37          2HB       ASP  37  -0.007   9.081   6.135
  393   2HB   ASP  37          1HB       ASP  37   1.681   9.275   6.605
  394    QB   ASP  37           QB       ASP  37   0.837   9.178   6.370
  395    H    ASN  38           H        ASN  38   2.501  10.512   4.041
  396    HA   ASN  38           HA       ASN  38   4.701  11.964   5.382
  397   1HB   ASN  38          2HB       ASN  38   4.425   9.572   3.627
  398   2HB   ASN  38          1HB       ASN  38   5.923  10.496   3.502
  399   1HD2  ASN  38          2HD2      ASN  38   7.183   8.833   6.333
  400   2HD2  ASN  38          1HD2      ASN  38   7.450   9.393   4.754
  401    QB   ASN  38           QB       ASN  38   5.174  10.034   3.564
  402    QD2  ASN  38           QD2      ASN  38   7.316   9.113   5.543
  403    H    GLY  39           H        GLY  39   3.548  11.267   2.073
  404   1HA   GLY  39          2HA       GLY  39   3.045  13.611   0.914
  405   2HA   GLY  39          1HA       GLY  39   4.798  13.757   1.082
  406    QA   GLY  39           QA       GLY  39   3.922  13.684   0.998
  407    H    ILE  40           H        ILE  40   2.450  11.263   0.067
  408    HA   ILE  40           HA       ILE  40   4.321  10.495  -2.153
  409    HB   ILE  40           HB       ILE  40   2.301   9.103  -0.424
  410   1HG1  ILE  40          2HG1      ILE  40   4.952   9.797   0.071
  411   2HG1  ILE  40          1HG1      ILE  40   4.009   8.626   0.970
  412   1HG2  ILE  40          3HG2      ILE  40   2.292   8.159  -2.721
  413   2HG2  ILE  40          2HG2      ILE  40   4.018   7.829  -2.559
  414   3HG2  ILE  40          1HG2      ILE  40   2.859   7.010  -1.506
  415   1HD1  ILE  40          1HD1      ILE  40   5.539   7.870  -1.511
  416   2HD1  ILE  40          3HD1      ILE  40   6.284   7.861   0.090
  417   3HD1  ILE  40          2HD1      ILE  40   4.904   6.811  -0.245
  418    QG1  ILE  40           QG1      ILE  40   4.481   9.212   0.520
  419    QG2  ILE  40           QG2      ILE  40   3.056   7.666  -2.262
  420    QD1  ILE  40           QD1      ILE  40   5.576   7.514  -0.555
  421    H    ASP  41           H        ASP  41   3.440  10.625  -4.245
  422    HA   ASP  41           HA       ASP  41   0.568  10.400  -4.742
  423   1HB   ASP  41          2HB       ASP  41   1.363  12.807  -3.796
  424   2HB   ASP  41          1HB       ASP  41   1.628  13.067  -5.521
  425    QB   ASP  41           QB       ASP  41   1.495  12.937  -4.658
  426    H    GLY  42           H        GLY  42   0.875   9.057  -6.493
  427   1HA   GLY  42          2HA       GLY  42   1.848  10.197  -8.980
  428   2HA   GLY  42          1HA       GLY  42   2.925   8.946  -8.359
  429    QA   GLY  42           QA       GLY  42   2.387   9.571  -8.670
  430    H    GLU  43           H        GLU  43   2.399   6.842  -8.787
  431    HA   GLU  43           HA       GLU  43  -0.337   6.298  -9.911
  432   1HB   GLU  43          2HB       GLU  43   2.047   6.103 -11.162
  433   2HB   GLU  43          1HB       GLU  43   1.978   4.497 -10.437
  434   1HG   GLU  43          2HG       GLU  43   0.095   3.879 -11.649
  435   2HG   GLU  43          1HG       GLU  43  -0.448   5.545 -11.850
  436    QB   GLU  43           QB       GLU  43   2.013   5.300 -10.799
  437    QG   GLU  43           QG       GLU  43  -0.176   4.712 -11.749
  438    H    TRP  44           H        TRP  44  -0.819   3.795  -9.664
  439    HA   TRP  44           HA       TRP  44   0.206   2.607  -7.121
  440   1HB   TRP  44          2HB       TRP  44  -2.539   3.739  -7.641
  441   2HB   TRP  44          1HB       TRP  44  -2.375   2.326  -6.594
  442    HD1  TRP  44           HD       TRP  44  -1.400   6.018  -6.816
  443    HE1  TRP  44          1HE       TRP  44  -0.683   6.804  -4.466
  444    HE3  TRP  44          3HE       TRP  44  -1.467   1.553  -4.363
  445    HZ2  TRP  44          2HZ       TRP  44  -0.200   5.678  -1.881
  446    HZ3  TRP  44          3HZ       TRP  44  -0.874   1.437  -1.950
  447    HH2  TRP  44           HH       TRP  44  -0.237   3.493  -0.715
  448    QB   TRP  44           QB       TRP  44  -2.457   3.033  -7.117
  449    H    THR  45           H        THR  45   0.391   0.438  -7.451
  450    HA   THR  45           HA       THR  45  -1.532  -0.918  -9.293
  451    HB   THR  45           HB       THR  45   0.207  -1.890 -10.586
  452    HG1  THR  45          1HG       THR  45   1.771  -2.539  -9.332
  453   1HG2  THR  45          1HG2      THR  45  -0.109   0.511 -11.082
  454   2HG2  THR  45          3HG2      THR  45   1.167   0.902  -9.926
  455   3HG2  THR  45          2HG2      THR  45   1.550  -0.006 -11.392
  456    QG2  THR  45           QG2      THR  45   0.870   0.469 -10.800
  457    H    TYR  46           H        TYR  46  -2.173  -2.861  -8.472
  458    HA   TYR  46           HA       TYR  46  -0.879  -3.782  -5.951
  459   1HB   TYR  46          2HB       TYR  46  -3.246  -3.375  -5.814
  460   2HB   TYR  46          1HB       TYR  46  -3.553  -4.295  -7.290
  461    HD1  TYR  46          2HD       TYR  46  -1.588  -4.931  -4.151
  462    HD2  TYR  46          1HD       TYR  46  -4.626  -6.324  -6.847
  463    HE1  TYR  46          2HE       TYR  46  -1.808  -7.011  -2.824
  464    HE2  TYR  46          1HE       TYR  46  -4.840  -8.411  -5.522
  465    HH   TYR  46           HH       TYR  46  -4.391  -9.145  -3.164
  466    QB   TYR  46           QB       TYR  46  -3.399  -3.835  -6.552
  467    QG   TYR  46           QD       TYR  46  -3.107  -5.628  -5.499
  468    QZ   TYR  46           QE       TYR  46  -3.324  -7.711  -4.173
  469    QR   TYR  46           QR       TYR  46  -3.216  -6.670  -4.836
  470    H    ASP  47           H        ASP  47  -0.170  -5.948  -5.732
  471    HA   ASP  47           HA       ASP  47   0.104  -7.500  -8.286
  472   1HB   ASP  47          2HB       ASP  47   1.964  -7.237  -5.898
  473   2HB   ASP  47          1HB       ASP  47   2.263  -8.263  -7.301
  474    QB   ASP  47           QB       ASP  47   2.113  -7.750  -6.599
  475    H    ASP  48           H        ASP  48  -1.649  -8.909  -7.950
  476    HA   ASP  48           HA       ASP  48  -2.301 -10.125  -5.417
  477   1HB   ASP  48          2HB       ASP  48  -3.782  -9.748  -7.433
  478   2HB   ASP  48          1HB       ASP  48  -2.946 -11.093  -8.211
  479    QB   ASP  48           QB       ASP  48  -3.364 -10.420  -7.822
  480    H    ALA  49           H        ALA  49   0.307 -10.739  -7.491
  481    HA   ALA  49           HA       ALA  49   0.450 -13.642  -6.952
  482   1HB   ALA  49          1HB       ALA  49   1.937 -11.601  -8.596
  483   2HB   ALA  49          3HB       ALA  49   2.664 -13.179  -8.288
  484   3HB   ALA  49          2HB       ALA  49   1.120 -13.069  -9.134
  485    QB   ALA  49           QB       ALA  49   1.907 -12.616  -8.673
  486    H    THR  50           H        THR  50   1.829 -10.592  -5.866
  487    HA   THR  50           HA       THR  50   3.526 -12.105  -3.907
  488    HB   THR  50           HB       THR  50   5.071 -10.156  -4.105
  489    HG1  THR  50          1HG       THR  50   4.638  -8.681  -5.792
  490   1HG2  THR  50          3HG2      THR  50   5.052 -12.255  -5.658
  491   2HG2  THR  50          2HG2      THR  50   4.493 -11.124  -6.891
  492   3HG2  THR  50          1HG2      THR  50   6.053 -10.872  -6.105
  493    QG2  THR  50           QG2      THR  50   5.199 -11.417  -6.218
  494    H    LYS  51           H        LYS  51   0.725 -10.391  -4.130
  495    HA   LYS  51           HA       LYS  51  -0.541  -9.094  -2.622
  496   1HB   LYS  51          2HB       LYS  51   1.495 -10.324  -0.729
  497   2HB   LYS  51          1HB       LYS  51  -0.044  -9.611  -0.244
  498   1HG   LYS  51          2HG       LYS  51  -0.007 -11.789  -2.316
  499   2HG   LYS  51          1HG       LYS  51   0.116 -12.208  -0.607
  500   1HD   LYS  51          2HD       LYS  51  -1.952 -10.814  -0.205
  501   2HD   LYS  51          1HD       LYS  51  -2.115 -10.667  -1.956
  502   1HE   LYS  51          2HE       LYS  51  -3.352 -12.586  -1.770
  503   2HE   LYS  51          1HE       LYS  51  -1.773 -13.389  -1.650
  504   1HZ   LYS  51          3HZ       LYS  51  -3.287 -12.259   0.645
  505   2HZ   LYS  51          2HZ       LYS  51  -3.214 -13.910   0.253
  506   3HZ   LYS  51          1HZ       LYS  51  -1.808 -13.084   0.730
  507    QB   LYS  51           QB       LYS  51   0.726  -9.967  -0.487
  508    QG   LYS  51           QG       LYS  51   0.055 -11.998  -1.462
  509    QD   LYS  51           QD       LYS  51  -2.034 -10.741  -1.081
  510    QE   LYS  51           QE       LYS  51  -2.563 -12.988  -1.710
  511    QZ   LYS  51           QZ       LYS  51  -2.770 -13.084   0.543
  512    H    THR  52           H        THR  52   1.636  -7.751  -3.989
  513    HA   THR  52           HA       THR  52   2.385  -5.719  -1.898
  514    HB   THR  52           HB       THR  52   3.984  -6.466  -4.356
  515    HG1  THR  52          1HG       THR  52   4.272  -7.425  -1.704
  516   1HG2  THR  52          3HG2      THR  52   4.439  -4.843  -1.868
  517   2HG2  THR  52          2HG2      THR  52   5.807  -5.573  -2.708
  518   3HG2  THR  52          1HG2      THR  52   4.772  -4.417  -3.546
  519    QG2  THR  52           QG2      THR  52   5.006  -4.944  -2.707
  520    H    PHE  53           H        PHE  53   2.129  -3.552  -2.485
  521    HA   PHE  53           HA       PHE  53   0.668  -3.042  -5.027
  522   1HB   PHE  53          2HB       PHE  53   1.026  -1.578  -2.407
  523   2HB   PHE  53          1HB       PHE  53   0.227  -0.831  -3.792
  524    HD1  PHE  53          1HD       PHE  53   0.091  -3.710  -1.434
  525    HD2  PHE  53          2HD       PHE  53  -2.022  -1.419  -4.401
  526    HE1  PHE  53          1HE       PHE  53  -2.018  -4.892  -0.850
  527    HE2  PHE  53          2HE       PHE  53  -4.116  -2.602  -3.815
  528   1HZ   PHE  53           HZ       PHE  53  -4.114  -4.338  -2.047
  529    QB   PHE  53           QB       PHE  53   0.626  -1.205  -3.099
  530    QG   PHE  53           QD       PHE  53  -0.965  -2.564  -2.917
  531    QZ   PHE  53           QE       PHE  53  -3.067  -3.747  -2.332
  532    QZ   PHE  53           QR       PHE  53  -2.436  -3.392  -2.509
  533    H    THR  54           H        THR  54   1.304  -0.364  -5.552
  534    HA   THR  54           HA       THR  54   4.225  -0.008  -5.454
  535    HB   THR  54           HB       THR  54   2.966  -0.074  -8.182
  536    HG1  THR  54          1HG       THR  54   2.413  -2.075  -7.417
  537   1HG2  THR  54          1HG2      THR  54   5.683  -0.303  -6.953
  538   2HG2  THR  54          3HG2      THR  54   5.399  -1.065  -8.517
  539   3HG2  THR  54          2HG2      THR  54   5.153   0.670  -8.325
  540    QG2  THR  54           QG2      THR  54   5.412  -0.233  -7.932
  541    H    VAL  55           H        VAL  55   3.605   1.916  -4.405
  542    HA   VAL  55           HA       VAL  55   1.846   3.801  -5.821
  543    HB   VAL  55           HB       VAL  55   1.459   3.594  -3.476
  544   1HG1  VAL  55          3HG1      VAL  55   4.436   4.058  -3.145
  545   2HG1  VAL  55          2HG1      VAL  55   3.281   4.158  -1.818
  546   3HG1  VAL  55          1HG1      VAL  55   3.497   2.633  -2.676
  547   1HG2  VAL  55          2HG2      VAL  55   1.437   5.921  -4.430
  548   2HG2  VAL  55          1HG2      VAL  55   1.740   5.865  -2.693
  549   3HG2  VAL  55          3HG2      VAL  55   3.074   6.134  -3.813
  550    QG1  VAL  55           QG1      VAL  55   3.738   3.617  -2.546
  551    QG2  VAL  55           QG2      VAL  55   2.084   5.973  -3.645
  552    QQG  VAL  55           QQG      VAL  55   2.911   4.795  -3.096
  553    H    THR  56           H        THR  56   2.955   4.574  -7.573
  554    HA   THR  56           HA       THR  56   5.729   5.499  -7.419
  555    HB   THR  56           HB       THR  56   3.487   5.324  -9.420
  556    HG1  THR  56          1HG       THR  56   4.771   3.587  -9.356
  557   1HG2  THR  56          1HG2      THR  56   6.027   6.921  -9.874
  558   2HG2  THR  56          3HG2      THR  56   4.880   6.457 -11.132
  559   3HG2  THR  56          2HG2      THR  56   4.382   7.563  -9.851
  560    QG2  THR  56           QG2      THR  56   5.097   6.981 -10.285
  561    H    GLU  57           H        GLU  57   6.138   7.884  -8.134
  562    HA   GLU  57           HA       GLU  57   4.155   9.692  -6.783
  563   1HB   GLU  57          2HB       GLU  57   6.310   9.194  -5.561
  564   2HB   GLU  57          1HB       GLU  57   7.177   9.946  -6.900
  565   1HG   GLU  57          2HG       GLU  57   6.107  12.068  -6.502
  566   2HG   GLU  57          1HG       GLU  57   5.008  11.351  -5.323
  567    QB   GLU  57           QB       GLU  57   6.744   9.570  -6.231
  568    QG   GLU  57           QG       GLU  57   5.557  11.709  -5.912
   
  No H/Q in entry =         568
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1  -0.052 -14.173   6.279
    2   2H    MET   1          3HT       MET   1  -1.116 -13.618   7.479
    3   3H    MET   1          2HT       MET   1  -0.507 -15.203   7.552
    4    HA   MET   1           HA       MET   1  -1.758 -15.874   5.650
    5   1HB   MET   1          2HB       MET   1  -2.712 -15.318   8.095
    6   2HB   MET   1          1HB       MET   1  -3.703 -14.190   7.170
    7   1HG   MET   1          2HG       MET   1  -3.421 -17.104   6.415
    8   2HG   MET   1          1HG       MET   1  -4.693 -16.519   7.488
    9   1HE   MET   1          1HE       MET   1  -6.673 -17.190   6.162
   10   2HE   MET   1          3HE       MET   1  -6.842 -17.030   4.409
   11   3HE   MET   1          2HE       MET   1  -5.581 -18.059   5.085
   12    QB   MET   1           QB       MET   1  -3.208 -14.754   7.632
   13    QG   MET   1           QG       MET   1  -4.057 -16.812   6.951
   14    QE   MET   1           QE       MET   1  -6.365 -17.426   5.219
   15    H    THR   2           H        THR   2  -2.332 -12.416   6.384
   16    HA   THR   2           HA       THR   2  -2.773 -11.948   3.458
   17    HB   THR   2           HB       THR   2  -4.361 -10.784   5.769
   18    HG1  THR   2          1HG       THR   2  -5.652 -12.417   5.538
   19   1HG2  THR   2          1HG2      THR   2  -4.263 -10.319   2.842
   20   2HG2  THR   2          3HG2      THR   2  -5.875 -10.465   3.540
   21   3HG2  THR   2          2HG2      THR   2  -4.763  -9.234   4.140
   22    QG2  THR   2           QG2      THR   2  -4.967 -10.006   3.507
   23    H    THR   3           H        THR   3  -0.395 -11.493   5.162
   24    HA   THR   3           HA       THR   3  -0.199  -8.706   5.906
   25    HB   THR   3           HB       THR   3   2.082 -10.501   5.073
   26    HG1  THR   3          1HG       THR   3   1.486 -11.853   6.538
   27   1HG2  THR   3          1HG2      THR   3   2.163  -8.001   5.986
   28   2HG2  THR   3          3HG2      THR   3   1.996  -8.820   7.541
   29   3HG2  THR   3          2HG2      THR   3   3.359  -9.199   6.487
   30    QG2  THR   3           QG2      THR   3   2.506  -8.673   6.671
   31    H    PHE   4           H        PHE   4  -0.601  -7.206   4.297
   32    HA   PHE   4           HA       PHE   4   0.383  -7.625   1.545
   33   1HB   PHE   4          2HB       PHE   4  -1.273  -5.571   3.018
   34   2HB   PHE   4          1HB       PHE   4  -0.755  -5.305   1.353
   35    HD1  PHE   4          2HD       PHE   4  -1.133  -7.397  -0.257
   36    HD2  PHE   4          1HD       PHE   4  -3.312  -6.639   3.364
   37    HE1  PHE   4          2HE       PHE   4  -2.976  -8.846  -1.062
   38    HE2  PHE   4          1HE       PHE   4  -5.155  -8.084   2.556
   39   1HZ   PHE   4           HZ       PHE   4  -4.989  -9.190   0.342
   40    QB   PHE   4           QB       PHE   4  -1.014  -5.438   2.185
   41    QG   PHE   4           QD       PHE   4  -2.222  -7.018   1.554
   42    QZ   PHE   4           QE       PHE   4  -4.065  -8.465   0.747
   43    QZ   PHE   4           QR       PHE   4  -3.513  -8.031   0.989
   44    H    LYS   5           H        LYS   5   2.113  -6.518   0.643
   45    HA   LYS   5           HA       LYS   5   3.756  -4.838   2.496
   46   1HB   LYS   5          2HB       LYS   5   4.416  -6.263  -0.112
   47   2HB   LYS   5          1HB       LYS   5   5.578  -5.424   0.913
   48   1HG   LYS   5          2HG       LYS   5   5.887  -7.431   1.919
   49   2HG   LYS   5          1HG       LYS   5   4.336  -7.128   2.702
   50   1HD   LYS   5          2HD       LYS   5   3.152  -8.433   1.120
   51   2HD   LYS   5          1HD       LYS   5   4.494  -8.412  -0.025
   52   1HE   LYS   5          2HE       LYS   5   5.838  -9.823   1.466
   53   2HE   LYS   5          1HE       LYS   5   4.545  -9.798   2.681
   54   1HZ   LYS   5          2HZ       LYS   5   4.178 -10.711  -0.122
   55   2HZ   LYS   5          1HZ       LYS   5   4.455 -11.760   1.186
   56   3HZ   LYS   5          3HZ       LYS   5   3.048 -10.814   1.144
   57    QB   LYS   5           QB       LYS   5   4.997  -5.843   0.400
   58    QG   LYS   5           QG       LYS   5   5.111  -7.279   2.311
   59    QD   LYS   5           QD       LYS   5   3.823  -8.422   0.547
   60    QE   LYS   5           QE       LYS   5   5.191  -9.810   2.073
   61    QZ   LYS   5           QZ       LYS   5   3.893 -11.095   0.736
   62    H    LEU   6           H        LEU   6   5.167  -3.238   0.846
   63    HA   LEU   6           HA       LEU   6   3.486  -2.083  -1.279
   64   1HB   LEU   6          2HB       LEU   6   2.421  -1.244   0.772
   65   2HB   LEU   6          1HB       LEU   6   3.978  -0.669   1.366
   66    HG   LEU   6           HG       LEU   6   3.995   0.662  -0.935
   67   1HD1  LEU   6          3HD1      LEU   6   1.191  -0.261  -0.589
   68   2HD1  LEU   6          2HD1      LEU   6   1.422   1.421  -1.065
   69   3HD1  LEU   6          1HD1      LEU   6   2.078   0.127  -2.064
   70   1HD2  LEU   6          2HD2      LEU   6   3.615   1.339   1.668
   71   2HD2  LEU   6          1HD2      LEU   6   3.588   2.508   0.349
   72   3HD2  LEU   6          3HD2      LEU   6   2.076   1.861   0.984
   73    QB   LEU   6           QB       LEU   6   3.199  -0.957   1.069
   74    QD1  LEU   6           QD1      LEU   6   1.563   0.429  -1.239
   75    QD2  LEU   6           QD2      LEU   6   3.093   1.903   1.000
   76    QQD  LEU   6           QQD      LEU   6   2.328   1.166  -0.120
   77    H    ILE   7           H        ILE   7   5.137  -1.828  -2.767
   78    HA   ILE   7           HA       ILE   7   7.757  -0.784  -1.821
   79    HB   ILE   7           HB       ILE   7   6.878  -1.838  -4.525
   80   1HG1  ILE   7          2HG1      ILE   7   8.499  -3.204  -2.348
   81   2HG1  ILE   7          1HG1      ILE   7   6.791  -3.522  -2.655
   82   1HG2  ILE   7          2HG2      ILE   7   9.365  -0.642  -3.436
   83   2HG2  ILE   7          1HG2      ILE   7   9.597  -2.143  -4.344
   84   3HG2  ILE   7          3HG2      ILE   7   8.804  -0.764  -5.107
   85   1HD1  ILE   7          2HD1      ILE   7   8.666  -3.685  -4.974
   86   2HD1  ILE   7          1HD1      ILE   7   8.712  -4.992  -3.792
   87   3HD1  ILE   7          3HD1      ILE   7   7.210  -4.622  -4.639
   88    QG1  ILE   7           QG1      ILE   7   7.645  -3.363  -2.501
   89    QG2  ILE   7           QG2      ILE   7   9.256  -1.183  -4.295
   90    QD1  ILE   7           QD1      ILE   7   8.196  -4.433  -4.468
   91    H    ILE   8           H        ILE   8   8.328   1.329  -2.261
   92    HA   ILE   8           HA       ILE   8   6.303   3.020  -3.574
   93    HB   ILE   8           HB       ILE   8   8.998   3.850  -2.490
   94   1HG1  ILE   8          2HG1      ILE   8   7.780   2.515  -0.775
   95   2HG1  ILE   8          1HG1      ILE   8   7.912   4.207  -0.316
   96   1HG2  ILE   8          1HG2      ILE   8   6.329   5.253  -2.840
   97   2HG2  ILE   8          3HG2      ILE   8   7.767   5.979  -2.112
   98   3HG2  ILE   8          2HG2      ILE   8   7.783   5.511  -3.811
   99   1HD1  ILE   8          2HD1      ILE   8   5.586   4.523  -1.314
  100   2HD1  ILE   8          1HD1      ILE   8   5.492   2.765  -1.413
  101   3HD1  ILE   8          3HD1      ILE   8   5.657   3.551   0.155
  102    QG1  ILE   8           QG1      ILE   8   7.846   3.361  -0.545
  103    QG2  ILE   8           QG2      ILE   8   7.293   5.581  -2.921
  104    QD1  ILE   8           QD1      ILE   8   5.578   3.613  -0.857
  105    H    ASN   9           H        ASN   9   6.381   2.935  -5.805
  106    HA   ASN   9           HA       ASN   9   8.858   2.498  -7.282
  107   1HB   ASN   9          2HB       ASN   9   6.588   1.761  -7.995
  108   2HB   ASN   9          1HB       ASN   9   6.118   3.450  -8.169
  109   1HD2  ASN   9          2HD2      ASN   9   7.832   3.889 -11.253
  110   2HD2  ASN   9          1HD2      ASN   9   7.004   4.659  -9.985
  111    QB   ASN   9           QB       ASN   9   6.353   2.606  -8.082
  112    QD2  ASN   9           QD2      ASN   9   7.418   4.274 -10.619
  113    H    GLY  10           H        GLY  10   9.784   4.478  -5.959
  114   1HA   GLY  10          2HA       GLY  10  10.040   6.692  -7.817
  115   2HA   GLY  10          1HA       GLY  10   9.131   7.145  -6.374
  116    QA   GLY  10           QA       GLY  10   9.586   6.918  -7.095
  117    H    LYS  11           H        LYS  11  10.586   8.362  -5.221
  118    HA   LYS  11           HA       LYS  11  12.808   7.041  -3.903
  119   1HB   LYS  11          2HB       LYS  11  14.590   8.395  -4.999
  120   2HB   LYS  11          1HB       LYS  11  13.768   7.343  -6.148
  121   1HG   LYS  11          2HG       LYS  11  12.210   9.456  -6.494
  122   2HG   LYS  11          1HG       LYS  11  13.608  10.324  -5.859
  123   1HD   LYS  11          2HD       LYS  11  13.794   8.340  -8.137
  124   2HD   LYS  11          1HD       LYS  11  13.562  10.072  -8.384
  125   1HE   LYS  11          2HE       LYS  11  15.672  10.083  -6.635
  126   2HE   LYS  11          1HE       LYS  11  15.998   8.608  -7.569
  127   1HZ   LYS  11          2HZ       LYS  11  15.511   9.926  -9.602
  128   2HZ   LYS  11          1HZ       LYS  11  15.464  11.325  -8.640
  129   3HZ   LYS  11          3HZ       LYS  11  16.904  10.440  -8.775
  130    QB   LYS  11           QB       LYS  11  14.179   7.869  -5.574
  131    QG   LYS  11           QG       LYS  11  12.909   9.890  -6.177
  132    QD   LYS  11           QD       LYS  11  13.678   9.206  -8.261
  133    QE   LYS  11           QE       LYS  11  15.835   9.345  -7.102
  134    QZ   LYS  11           QZ       LYS  11  15.960  10.564  -9.006
  135    H    THR  12           H        THR  12  10.680   8.410  -2.803
  136    HA   THR  12           HA       THR  12  12.021  10.816  -1.668
  137    HB   THR  12           HB       THR  12   9.154  10.664  -2.636
  138    HG1  THR  12          1HG       THR  12  10.263  10.886  -4.446
  139   1HG2  THR  12          3HG2      THR  12  10.769  12.682  -1.149
  140   2HG2  THR  12          2HG2      THR  12   9.643  13.279  -2.369
  141   3HG2  THR  12          1HG2      THR  12   9.051  12.305  -1.024
  142    QG2  THR  12           QG2      THR  12   9.821  12.755  -1.514
  143    H    LEU  13           H        LEU  13  11.313   7.977  -0.751
  144    HA   LEU  13           HA       LEU  13  10.661   8.609   1.965
  145   1HB   LEU  13          2HB       LEU  13   8.344   7.563   1.953
  146   2HB   LEU  13          1HB       LEU  13   8.451   9.129   1.159
  147    HG   LEU  13           HG       LEU  13   8.944   6.799  -0.575
  148   1HD1  LEU  13          1HD1      LEU  13   6.284   7.308   0.767
  149   2HD1  LEU  13          3HD1      LEU  13   6.387   6.508  -0.801
  150   3HD1  LEU  13          2HD1      LEU  13   7.147   5.780   0.614
  151   1HD2  LEU  13          3HD2      LEU  13   7.767   9.510  -0.701
  152   2HD2  LEU  13          2HD2      LEU  13   8.775   8.667  -1.873
  153   3HD2  LEU  13          1HD2      LEU  13   7.051   8.316  -1.782
  154    QB   LEU  13           QB       LEU  13   8.397   8.346   1.556
  155    QD1  LEU  13           QD1      LEU  13   6.606   6.532   0.193
  156    QD2  LEU  13           QD2      LEU  13   7.865   8.831  -1.452
  157    QQD  LEU  13           QQD      LEU  13   7.235   7.682  -0.629
  158    H    LYS  14           H        LYS  14  10.748   6.151  -0.605
  159    HA   LYS  14           HA       LYS  14  11.391   3.886  -0.560
  160   1HB   LYS  14          2HB       LYS  14  12.840   5.233   1.697
  161   2HB   LYS  14          1HB       LYS  14  12.971   3.482   1.536
  162   1HG   LYS  14          2HG       LYS  14  14.012   3.620  -0.555
  163   2HG   LYS  14          1HG       LYS  14  13.390   5.240  -0.867
  164   1HD   LYS  14          2HD       LYS  14  15.428   4.577   1.278
  165   2HD   LYS  14          1HD       LYS  14  15.832   5.222  -0.314
  166   1HE   LYS  14          2HE       LYS  14  14.147   7.125   0.265
  167   2HE   LYS  14          1HE       LYS  14  14.356   6.577   1.941
  168   1HZ   LYS  14          2HZ       LYS  14  16.565   7.252   0.068
  169   2HZ   LYS  14          1HZ       LYS  14  16.019   8.247   1.332
  170   3HZ   LYS  14          3HZ       LYS  14  16.742   6.754   1.683
  171    QB   LYS  14           QB       LYS  14  12.905   4.358   1.616
  172    QG   LYS  14           QG       LYS  14  13.701   4.430  -0.711
  173    QD   LYS  14           QD       LYS  14  15.630   4.900   0.482
  174    QE   LYS  14           QE       LYS  14  14.251   6.851   1.103
  175    QZ   LYS  14           QZ       LYS  14  16.442   7.417   1.028
  176    H    GLY  15           H        GLY  15   9.672   2.483  -0.180
  177   1HA   GLY  15          2HA       GLY  15   9.079   1.862   2.667
  178   2HA   GLY  15          1HA       GLY  15   7.729   2.356   1.648
  179    QA   GLY  15           QA       GLY  15   8.404   2.109   2.158
  180    H    GLU  16           H        GLU  16   8.722  -0.281   2.968
  181    HA   GLU  16           HA       GLU  16   7.747  -2.063   0.847
  182   1HB   GLU  16          2HB       GLU  16  10.559  -1.493   1.396
  183   2HB   GLU  16          1HB       GLU  16  10.206  -3.210   1.586
  184   1HG   GLU  16          2HG       GLU  16   9.491  -3.445  -0.639
  185   2HG   GLU  16          1HG       GLU  16   9.213  -1.715  -0.833
  186    QB   GLU  16           QB       GLU  16  10.382  -2.351   1.491
  187    QG   GLU  16           QG       GLU  16   9.352  -2.580  -0.736
  188    H    ILE  17           H        ILE  17   7.186  -1.265   3.731
  189    HA   ILE  17           HA       ILE  17   7.931  -3.494   5.430
  190    HB   ILE  17           HB       ILE  17   6.291  -2.421   6.966
  191   1HG1  ILE  17          2HG1      ILE  17   5.786  -0.359   4.825
  192   2HG1  ILE  17          1HG1      ILE  17   4.767  -1.794   4.931
  193   1HG2  ILE  17          1HG2      ILE  17   8.672  -1.517   6.416
  194   2HG2  ILE  17          3HG2      ILE  17   7.813  -0.221   5.584
  195   3HG2  ILE  17          2HG2      ILE  17   7.563  -0.477   7.311
  196   1HD1  ILE  17          3HD1      ILE  17   5.308  -0.224   7.426
  197   2HD1  ILE  17          2HD1      ILE  17   4.127   0.395   6.272
  198   3HD1  ILE  17          1HD1      ILE  17   3.898  -1.194   7.001
  199    QG1  ILE  17           QG1      ILE  17   5.276  -1.076   4.878
  200    QG2  ILE  17           QG2      ILE  17   8.016  -0.738   6.437
  201    QD1  ILE  17           QD1      ILE  17   4.444  -0.341   6.899
  202    H    THR  18           H        THR  18   5.703  -4.407   6.644
  203    HA   THR  18           HA       THR  18   3.891  -5.461   4.509
  204    HB   THR  18           HB       THR  18   4.229  -7.723   5.467
  205    HG1  THR  18          1HG       THR  18   5.533  -8.023   7.155
  206   1HG2  THR  18          1HG2      THR  18   5.940  -6.375   3.808
  207   2HG2  THR  18          3HG2      THR  18   7.038  -6.912   5.078
  208   3HG2  THR  18          2HG2      THR  18   6.074  -8.091   4.191
  209    QG2  THR  18           QG2      THR  18   6.351  -7.126   4.359
  210    H    ILE  19           H        ILE  19   1.781  -5.313   5.174
  211    HA   ILE  19           HA       ILE  19   1.208  -5.331   8.116
  212    HB   ILE  19           HB       ILE  19  -0.320  -3.422   7.751
  213   1HG1  ILE  19          2HG1      ILE  19   0.394  -2.322   5.318
  214   2HG1  ILE  19          1HG1      ILE  19   0.302  -4.039   4.932
  215   1HG2  ILE  19          2HG2      ILE  19   2.039  -3.012   8.374
  216   2HG2  ILE  19          1HG2      ILE  19   2.468  -2.927   6.666
  217   3HG2  ILE  19          3HG2      ILE  19   1.400  -1.712   7.368
  218   1HD1  ILE  19          3HD1      ILE  19  -1.960  -4.005   6.185
  219   2HD1  ILE  19          2HD1      ILE  19  -1.862  -2.250   6.038
  220   3HD1  ILE  19          1HD1      ILE  19  -1.904  -3.256   4.589
  221    QG1  ILE  19           QG1      ILE  19   0.348  -3.181   5.125
  222    QG2  ILE  19           QG2      ILE  19   1.969  -2.550   7.469
  223    QD1  ILE  19           QD1      ILE  19  -1.909  -3.170   5.604
  224    H    GLU  20           H        GLU  20  -0.568  -6.542   8.661
  225    HA   GLU  20           HA       GLU  20  -1.952  -8.052   6.546
  226   1HB   GLU  20          2HB       GLU  20  -2.938  -9.214   8.512
  227   2HB   GLU  20          1HB       GLU  20  -1.182  -9.118   8.627
  228   1HG   GLU  20          2HG       GLU  20  -1.254  -7.462  10.292
  229   2HG   GLU  20          1HG       GLU  20  -2.900  -6.983   9.881
  230    QB   GLU  20           QB       GLU  20  -2.060  -9.166   8.570
  231    QG   GLU  20           QG       GLU  20  -2.077  -7.222  10.087
  232    H    ALA  21           H        ALA  21  -4.343  -8.122   6.455
  233    HA   ALA  21           HA       ALA  21  -5.948  -6.078   7.767
  234   1HB   ALA  21          2HB       ALA  21  -4.682  -5.645   5.101
  235   2HB   ALA  21          1HB       ALA  21  -6.359  -5.124   5.273
  236   3HB   ALA  21          3HB       ALA  21  -5.118  -4.466   6.340
  237    QB   ALA  21           QB       ALA  21  -5.386  -5.079   5.571
  238    H    VAL  22           H        VAL  22  -8.200  -6.040   6.709
  239    HA   VAL  22           HA       VAL  22  -9.334  -8.600   6.532
  240    HB   VAL  22           HB       VAL  22 -10.552  -6.509   6.971
  241   1HG1  VAL  22          3HG1      VAL  22  -9.140  -5.314   5.094
  242   2HG1  VAL  22          2HG1      VAL  22 -10.465  -5.823   4.049
  243   3HG1  VAL  22          1HG1      VAL  22 -10.785  -4.777   5.430
  244   1HG2  VAL  22          2HG2      VAL  22 -11.605  -8.604   5.777
  245   2HG2  VAL  22          1HG2      VAL  22 -12.538  -7.112   5.899
  246   3HG2  VAL  22          3HG2      VAL  22 -11.719  -7.519   4.391
  247    QG1  VAL  22           QG1      VAL  22 -10.130  -5.305   4.857
  248    QG2  VAL  22           QG2      VAL  22 -11.954  -7.745   5.356
  249    QQG  VAL  22           QQG      VAL  22 -11.042  -6.525   5.107
  250    H    ASP  23           H        ASP  23  -8.060  -6.535   3.959
  251    HA   ASP  23           HA       ASP  23  -7.648  -8.797   2.174
  252   1HB   ASP  23          2HB       ASP  23  -9.246  -7.937   0.434
  253   2HB   ASP  23          1HB       ASP  23 -10.056  -8.504   1.892
  254    QB   ASP  23           QB       ASP  23  -9.651  -8.221   1.163
  255    H    ALA  24           H        ALA  24  -6.876  -7.861  -0.064
  256    HA   ALA  24           HA       ALA  24  -4.726  -6.044   0.385
  257   1HB   ALA  24          1HB       ALA  24  -5.271  -7.783  -1.511
  258   2HB   ALA  24          3HB       ALA  24  -6.035  -6.403  -2.301
  259   3HB   ALA  24          2HB       ALA  24  -4.317  -6.352  -1.902
  260    QB   ALA  24           QB       ALA  24  -5.207  -6.846  -1.905
  261    H    ALA  25           H        ALA  25  -8.067  -5.507  -0.625
  262    HA   ALA  25           HA       ALA  25  -7.927  -2.882  -1.636
  263   1HB   ALA  25          3HB       ALA  25  -9.898  -4.745  -0.627
  264   2HB   ALA  25          2HB       ALA  25 -10.292  -3.112  -0.094
  265   3HB   ALA  25          1HB       ALA  25 -10.106  -3.460  -1.812
  266    QB   ALA  25           QB       ALA  25 -10.099  -3.772  -0.845
  267    H    GLU  26           H        GLU  26  -8.357  -3.954   1.749
  268    HA   GLU  26           HA       GLU  26  -8.396  -1.306   2.898
  269   1HB   GLU  26          2HB       GLU  26  -8.380  -4.109   3.724
  270   2HB   GLU  26          1HB       GLU  26  -7.392  -3.121   4.799
  271   1HG   GLU  26          2HG       GLU  26  -9.600  -1.523   4.477
  272   2HG   GLU  26          1HG       GLU  26 -10.321  -3.131   4.416
  273    QB   GLU  26           QB       GLU  26  -7.886  -3.615   4.262
  274    QG   GLU  26           QG       GLU  26  -9.961  -2.327   4.446
  275    H    ALA  27           H        ALA  27  -5.813  -3.742   2.479
  276    HA   ALA  27           HA       ALA  27  -3.644  -2.388   3.682
  277   1HB   ALA  27          1HB       ALA  27  -4.074  -4.415   1.558
  278   2HB   ALA  27          3HB       ALA  27  -2.508  -3.603   1.512
  279   3HB   ALA  27          2HB       ALA  27  -3.011  -4.473   2.965
  280    QB   ALA  27           QB       ALA  27  -3.198  -4.164   2.012
  281    H    GLU  28           H        GLU  28  -4.871  -2.119   0.334
  282    HA   GLU  28           HA       GLU  28  -2.976  -0.242  -0.661
  283   1HB   GLU  28          2HB       GLU  28  -4.878  -1.609  -1.807
  284   2HB   GLU  28          1HB       GLU  28  -5.911  -0.247  -1.377
  285   1HG   GLU  28          2HG       GLU  28  -3.843   1.109  -2.455
  286   2HG   GLU  28          1HG       GLU  28  -3.700  -0.393  -3.372
  287    QB   GLU  28           QB       GLU  28  -5.394  -0.928  -1.592
  288    QG   GLU  28           QG       GLU  28  -3.772   0.358  -2.914
  289    H    LYS  29           H        LYS  29  -5.992   0.222   1.183
  290    HA   LYS  29           HA       LYS  29  -6.004   3.116   1.053
  291   1HB   LYS  29          2HB       LYS  29  -7.181   1.102   3.001
  292   2HB   LYS  29          1HB       LYS  29  -7.593   2.816   2.984
  293   1HG   LYS  29          2HG       LYS  29  -7.958   2.180   0.353
  294   2HG   LYS  29          1HG       LYS  29  -8.409   0.660   1.127
  295   1HD   LYS  29          2HD       LYS  29 -10.435   1.840   1.119
  296   2HD   LYS  29          1HD       LYS  29  -9.804   2.180   2.731
  297   1HE   LYS  29          2HE       LYS  29  -8.735   4.282   1.720
  298   2HE   LYS  29          1HE       LYS  29  -9.762   3.988   0.302
  299   1HZ   LYS  29          2HZ       LYS  29 -10.785   4.066   3.088
  300   2HZ   LYS  29          1HZ       LYS  29 -10.817   5.405   2.043
  301   3HZ   LYS  29          3HZ       LYS  29 -11.699   4.009   1.657
  302    QB   LYS  29           QB       LYS  29  -7.387   1.959   2.992
  303    QG   LYS  29           QG       LYS  29  -8.184   1.420   0.740
  304    QD   LYS  29           QD       LYS  29 -10.120   2.010   1.925
  305    QE   LYS  29           QE       LYS  29  -9.248   4.135   1.011
  306    QZ   LYS  29           QZ       LYS  29 -11.100   4.493   2.263
  307    H    ILE  30           H        ILE  30  -5.019   0.827   3.632
  308    HA   ILE  30           HA       ILE  30  -3.926   2.696   5.474
  309    HB   ILE  30           HB       ILE  30  -3.113  -0.156   4.774
  310   1HG1  ILE  30          2HG1      ILE  30  -4.845   0.742   7.079
  311   2HG1  ILE  30          1HG1      ILE  30  -5.543   0.422   5.492
  312   1HG2  ILE  30          3HG2      ILE  30  -1.714   1.594   6.400
  313   2HG2  ILE  30          2HG2      ILE  30  -2.769   0.774   7.551
  314   3HG2  ILE  30          1HG2      ILE  30  -1.675  -0.164   6.534
  315   1HD1  ILE  30          2HD1      ILE  30  -3.690  -1.658   6.506
  316   2HD1  ILE  30          1HD1      ILE  30  -5.205  -1.494   7.393
  317   3HD1  ILE  30          3HD1      ILE  30  -5.229  -1.834   5.663
  318    QG1  ILE  30           QG1      ILE  30  -5.194   0.582   6.286
  319    QG2  ILE  30           QG2      ILE  30  -2.053   0.735   6.829
  320    QD1  ILE  30           QD1      ILE  30  -4.708  -1.662   6.521
  321    H    PHE  31           H        PHE  31  -2.500   1.066   2.669
  322    HA   PHE  31           HA       PHE  31   0.153   2.222   2.970
  323   1HB   PHE  31          2HB       PHE  31  -1.419   0.747   0.857
  324   2HB   PHE  31          1HB       PHE  31   0.150   1.445   0.456
  325    HD1  PHE  31          1HD       PHE  31   1.784   1.067   2.788
  326    HD2  PHE  31          2HD       PHE  31  -1.201  -1.548   1.149
  327    HE1  PHE  31          1HE       PHE  31   2.918  -0.873   3.833
  328    HE2  PHE  31          2HE       PHE  31  -0.067  -3.494   2.197
  329   1HZ   PHE  31           HZ       PHE  31   1.992  -3.153   3.539
  330    QB   PHE  31           QB       PHE  31  -0.634   1.096   0.656
  331    QG   PHE  31           QD       PHE  31   0.292  -0.240   1.969
  332    QZ   PHE  31           QE       PHE  31   1.426  -2.184   3.015
  333    QZ   PHE  31           QR       PHE  31   1.085  -1.600   2.701
  334    H    LYS  32           H        LYS  32  -2.846   3.092   1.331
  335    HA   LYS  32           HA       LYS  32  -1.712   5.334  -0.119
  336   1HB   LYS  32          2HB       LYS  32  -4.425   4.157   0.346
  337   2HB   LYS  32          1HB       LYS  32  -4.275   5.747  -0.400
  338   1HG   LYS  32          2HG       LYS  32  -2.995   4.893  -2.216
  339   2HG   LYS  32          1HG       LYS  32  -2.732   3.353  -1.399
  340   1HD   LYS  32          2HD       LYS  32  -4.443   2.980  -3.048
  341   2HD   LYS  32          1HD       LYS  32  -5.242   3.002  -1.476
  342   1HE   LYS  32          2HE       LYS  32  -5.021   5.661  -2.753
  343   2HE   LYS  32          1HE       LYS  32  -6.066   4.509  -3.609
  344   1HZ   LYS  32          2HZ       LYS  32  -7.057   3.959  -1.409
  345   2HZ   LYS  32          1HZ       LYS  32  -6.194   5.260  -0.737
  346   3HZ   LYS  32          3HZ       LYS  32  -7.372   5.548  -1.922
  347    QB   LYS  32           QB       LYS  32  -4.350   4.952  -0.027
  348    QG   LYS  32           QG       LYS  32  -2.863   4.123  -1.807
  349    QD   LYS  32           QD       LYS  32  -4.843   2.991  -2.262
  350    QE   LYS  32           QE       LYS  32  -5.544   5.085  -3.181
  351    QZ   LYS  32           QZ       LYS  32  -6.874   4.922  -1.356
  352    H    GLN  33           H        GLN  33  -2.178   4.962   3.123
  353    HA   GLN  33           HA       GLN  33  -3.180   7.770   3.553
  354   1HB   GLN  33          2HB       GLN  33  -4.288   5.812   4.725
  355   2HB   GLN  33          1HB       GLN  33  -2.741   5.463   5.498
  356   1HG   GLN  33          2HG       GLN  33  -2.749   7.570   6.653
  357   2HG   GLN  33          1HG       GLN  33  -4.128   8.145   5.716
  358   1HE2  GLN  33          2HE2      GLN  33  -6.417   5.864   7.466
  359   2HE2  GLN  33          1HE2      GLN  33  -6.059   6.321   5.871
  360    QB   GLN  33           QB       GLN  33  -3.515   5.638   5.111
  361    QG   GLN  33           QG       GLN  33  -3.439   7.858   6.184
  362    QE2  GLN  33           QE2      GLN  33  -6.238   6.092   6.669
  363    H    TYR  34           H        TYR  34  -0.794   5.363   4.372
  364    HA   TYR  34           HA       TYR  34   1.202   6.750   5.778
  365   1HB   TYR  34          2HB       TYR  34   1.292   4.408   5.486
  366   2HB   TYR  34          1HB       TYR  34   0.928   4.521   3.762
  367    HD1  TYR  34          2HD       TYR  34   2.798   5.416   2.206
  368    HD2  TYR  34          1HD       TYR  34   3.516   4.299   6.294
  369    HE1  TYR  34          2HE       TYR  34   5.224   5.251   1.735
  370    HE2  TYR  34          1HE       TYR  34   5.943   4.134   5.819
  371    HH   TYR  34           HH       TYR  34   7.513   5.388   3.814
  372    QB   TYR  34           QB       TYR  34   1.110   4.464   4.624
  373    QG   TYR  34           QD       TYR  34   3.157   4.858   4.250
  374    QZ   TYR  34           QE       TYR  34   5.583   4.693   3.777
  375    QR   TYR  34           QR       TYR  34   4.370   4.775   4.013
  376    H    ALA  35           H        ALA  35   0.568   6.534   2.297
  377    HA   ALA  35           HA       ALA  35   2.834   8.026   1.324
  378   1HB   ALA  35          1HB       ALA  35   0.128   7.162   0.348
  379   2HB   ALA  35          3HB       ALA  35   1.034   8.337  -0.606
  380   3HB   ALA  35          2HB       ALA  35   1.724   6.746  -0.279
  381    QB   ALA  35           QB       ALA  35   0.962   7.415  -0.179
  382    H    ASN  36           H        ASN  36  -0.531   8.971   2.084
  383    HA   ASN  36           HA       ASN  36  -0.389  11.707   1.316
  384   1HB   ASN  36          2HB       ASN  36  -1.992  10.044   3.220
  385   2HB   ASN  36          1HB       ASN  36  -2.188  11.795   3.251
  386   1HD2  ASN  36          2HD2      ASN  36  -3.124   9.921  -0.298
  387   2HD2  ASN  36          1HD2      ASN  36  -1.815   9.343   0.612
  388    QB   ASN  36           QB       ASN  36  -2.090  10.920   3.236
  389    QD2  ASN  36           QD2      ASN  36  -2.470   9.632   0.157
  390    H    ASP  37           H        ASP  37   0.183  10.215   4.516
  391    HA   ASP  37           HA       ASP  37   0.784  12.540   5.993
  392   1HB   ASP  37          2HB       ASP  37   0.521  10.058   6.676
  393   2HB   ASP  37          1HB       ASP  37   2.240   9.919   6.310
  394    QB   ASP  37           QB       ASP  37   1.380   9.988   6.493
  395    H    ASN  38           H        ASN  38   2.693  10.929   3.590
  396    HA   ASN  38           HA       ASN  38   5.086  12.506   4.295
  397   1HB   ASN  38          2HB       ASN  38   4.481   9.967   2.860
  398   2HB   ASN  38          1HB       ASN  38   5.921  10.856   2.361
  399   1HD2  ASN  38          2HD2      ASN  38   7.386  10.563   5.728
  400   2HD2  ASN  38          1HD2      ASN  38   7.098  11.785   4.585
  401    QB   ASN  38           QB       ASN  38   5.201  10.412   2.610
  402    QD2  ASN  38           QD2      ASN  38   7.242  11.174   5.157
  403    H    GLY  39           H        GLY  39   2.544  12.274   1.928
  404   1HA   GLY  39          2HA       GLY  39   2.076  14.119   0.409
  405   2HA   GLY  39          1HA       GLY  39   3.797  14.509   0.405
  406    QA   GLY  39           QA       GLY  39   2.936  14.314   0.407
  407    H    ILE  40           H        ILE  40   2.421  11.281   0.046
  408    HA   ILE  40           HA       ILE  40   3.810  11.022  -2.574
  409    HB   ILE  40           HB       ILE  40   2.894   9.275  -0.330
  410   1HG1  ILE  40          2HG1      ILE  40   5.183   8.327  -0.684
  411   2HG1  ILE  40          1HG1      ILE  40   5.409   9.512  -1.973
  412   1HG2  ILE  40          1HG2      ILE  40   1.950   8.183  -2.387
  413   2HG2  ILE  40          3HG2      ILE  40   3.592   8.105  -3.029
  414   3HG2  ILE  40          2HG2      ILE  40   3.172   7.224  -1.557
  415   1HD1  ILE  40          2HD1      ILE  40   4.546  10.322   0.796
  416   2HD1  ILE  40          1HD1      ILE  40   6.252  10.177   0.365
  417   3HD1  ILE  40          3HD1      ILE  40   5.221  11.336  -0.484
  418    QG1  ILE  40           QG1      ILE  40   5.296   8.920  -1.329
  419    QG2  ILE  40           QG2      ILE  40   2.905   7.837  -2.324
  420    QD1  ILE  40           QD1      ILE  40   5.340  10.612   0.226
  421    H    ASP  41           H        ASP  41   2.586  11.317  -4.338
  422    HA   ASP  41           HA       ASP  41  -0.158  10.194  -4.457
  423   1HB   ASP  41          2HB       ASP  41  -1.111  12.384  -5.088
  424   2HB   ASP  41          1HB       ASP  41  -0.377  12.456  -3.489
  425    QB   ASP  41           QB       ASP  41  -0.744  12.420  -4.288
  426    H    GLY  42           H        GLY  42   1.342   8.898  -6.001
  427   1HA   GLY  42          2HA       GLY  42   1.386  10.251  -8.673
  428   2HA   GLY  42          1HA       GLY  42   2.601   9.068  -8.190
  429    QA   GLY  42           QA       GLY  42   1.993   9.660  -8.431
  430    H    GLU  43           H        GLU  43   2.224   6.992  -8.801
  431    HA   GLU  43           HA       GLU  43  -0.551   6.273  -9.699
  432   1HB   GLU  43          2HB       GLU  43   1.758   6.233 -11.082
  433   2HB   GLU  43          1HB       GLU  43   1.839   4.622 -10.369
  434   1HG   GLU  43          2HG       GLU  43   0.210   3.829 -11.720
  435   2HG   GLU  43          1HG       GLU  43  -0.826   5.224 -11.418
  436    QB   GLU  43           QB       GLU  43   1.799   5.427 -10.726
  437    QG   GLU  43           QG       GLU  43  -0.308   4.527 -11.569
  438    H    TRP  44           H        TRP  44  -0.936   3.782  -9.457
  439    HA   TRP  44           HA       TRP  44   0.280   2.572  -7.005
  440   1HB   TRP  44          2HB       TRP  44  -2.539   3.593  -7.368
  441   2HB   TRP  44          1HB       TRP  44  -2.237   2.205  -6.318
  442    HD1  TRP  44           HD       TRP  44  -1.444   5.937  -6.648
  443    HE1  TRP  44          1HE       TRP  44  -0.627   6.788  -4.355
  444    HE3  TRP  44          3HE       TRP  44  -1.184   1.513  -4.141
  445    HZ2  TRP  44          2HZ       TRP  44   0.052   5.721  -1.787
  446    HZ3  TRP  44          3HZ       TRP  44  -0.447   1.453  -1.767
  447    HH2  TRP  44           HH       TRP  44   0.171   3.552  -0.595
  448    QB   TRP  44           QB       TRP  44  -2.388   2.899  -6.843
  449    H    THR  45           H        THR  45   0.395   0.376  -7.270
  450    HA   THR  45           HA       THR  45  -1.526  -0.971  -9.111
  451    HB   THR  45           HB       THR  45   0.187  -1.930 -10.441
  452    HG1  THR  45          1HG       THR  45   2.336  -1.896  -9.844
  453   1HG2  THR  45          2HG2      THR  45  -0.138   0.463 -10.936
  454   2HG2  THR  45          1HG2      THR  45   1.140   0.866  -9.788
  455   3HG2  THR  45          3HG2      THR  45   1.524  -0.036 -11.255
  456    QG2  THR  45           QG2      THR  45   0.842   0.431 -10.660
  457    H    TYR  46           H        TYR  46  -2.160  -2.890  -8.274
  458    HA   TYR  46           HA       TYR  46  -0.833  -3.846  -5.786
  459   1HB   TYR  46          2HB       TYR  46  -3.198  -3.442  -5.639
  460   2HB   TYR  46          1HB       TYR  46  -3.508  -4.347  -7.125
  461    HD1  TYR  46          2HD       TYR  46  -1.704  -4.909  -3.880
  462    HD2  TYR  46          1HD       TYR  46  -4.403  -6.481  -6.825
  463    HE1  TYR  46          2HE       TYR  46  -1.912  -6.996  -2.570
  464    HE2  TYR  46          1HE       TYR  46  -4.606  -8.579  -5.518
  465    HH   TYR  46           HH       TYR  46  -4.291  -9.152  -2.907
  466    QB   TYR  46           QB       TYR  46  -3.353  -3.894  -6.382
  467    QG   TYR  46           QD       TYR  46  -3.054  -5.695  -5.352
  468    QZ   TYR  46           QE       TYR  46  -3.259  -7.788  -4.044
  469    QR   TYR  46           QR       TYR  46  -3.156  -6.741  -4.698
  470    H    ASP  47           H        ASP  47  -0.052  -5.993  -5.626
  471    HA   ASP  47           HA       ASP  47   0.209  -7.483  -8.218
  472   1HB   ASP  47          2HB       ASP  47   2.071  -7.137  -5.850
  473   2HB   ASP  47          1HB       ASP  47   2.366  -8.292  -7.148
  474    QB   ASP  47           QB       ASP  47   2.219  -7.715  -6.499
  475    H    ASP  48           H        ASP  48  -1.429  -9.010  -7.981
  476    HA   ASP  48           HA       ASP  48  -2.122 -10.289  -5.486
  477   1HB   ASP  48          2HB       ASP  48  -3.484 -11.724  -6.996
  478   2HB   ASP  48          1HB       ASP  48  -3.666 -10.011  -7.371
  479    QB   ASP  48           QB       ASP  48  -3.575 -10.868  -7.183
  480    H    ALA  49           H        ALA  49   0.594 -10.742  -7.451
  481    HA   ALA  49           HA       ALA  49   0.847 -13.648  -7.028
  482   1HB   ALA  49          3HB       ALA  49   2.104 -11.481  -8.594
  483   2HB   ALA  49          2HB       ALA  49   3.233 -12.711  -8.024
  484   3HB   ALA  49          1HB       ALA  49   1.855 -13.173  -9.023
  485    QB   ALA  49           QB       ALA  49   2.398 -12.455  -8.547
  486    H    THR  50           H        THR  50   2.004 -10.610  -5.676
  487    HA   THR  50           HA       THR  50   3.517 -12.166  -3.605
  488    HB   THR  50           HB       THR  50   5.103 -10.243  -3.619
  489    HG1  THR  50          1HG       THR  50   4.718  -8.545  -4.824
  490   1HG2  THR  50          1HG2      THR  50   5.197 -12.318  -5.207
  491   2HG2  THR  50          3HG2      THR  50   4.794 -11.152  -6.466
  492   3HG2  THR  50          2HG2      THR  50   6.269 -10.953  -5.519
  493    QG2  THR  50           QG2      THR  50   5.420 -11.475  -5.730
  494    H    LYS  51           H        LYS  51   0.769 -10.435  -4.070
  495    HA   LYS  51           HA       LYS  51  -0.630  -9.149  -2.675
  496   1HB   LYS  51          2HB       LYS  51   1.221 -10.367  -0.593
  497   2HB   LYS  51          1HB       LYS  51  -0.376  -9.691  -0.274
  498   1HG   LYS  51          2HG       LYS  51   0.152 -12.007  -2.159
  499   2HG   LYS  51          1HG       LYS  51  -0.400 -12.184  -0.492
  500   1HD   LYS  51          2HD       LYS  51  -2.378 -10.747  -1.058
  501   2HD   LYS  51          1HD       LYS  51  -1.857 -10.771  -2.743
  502   1HE   LYS  51          2HE       LYS  51  -2.268 -13.346  -1.213
  503   2HE   LYS  51          1HE       LYS  51  -3.614 -12.538  -2.042
  504   1HZ   LYS  51          3HZ       LYS  51  -2.280 -12.480  -4.064
  505   2HZ   LYS  51          2HZ       LYS  51  -1.013 -13.291  -3.272
  506   3HZ   LYS  51          1HZ       LYS  51  -2.496 -14.077  -3.536
  507    QB   LYS  51           QB       LYS  51   0.423 -10.029  -0.433
  508    QG   LYS  51           QG       LYS  51  -0.124 -12.096  -1.326
  509    QD   LYS  51           QD       LYS  51  -2.117 -10.759  -1.901
  510    QE   LYS  51           QE       LYS  51  -2.941 -12.942  -1.627
  511    QZ   LYS  51           QZ       LYS  51  -1.930 -13.283  -3.624
  512    H    THR  52           H        THR  52   1.656  -7.795  -3.828
  513    HA   THR  52           HA       THR  52   2.231  -5.781  -1.664
  514    HB   THR  52           HB       THR  52   3.977  -6.528  -4.028
  515    HG1  THR  52          1HG       THR  52   4.050  -8.311  -2.839
  516   1HG2  THR  52          1HG2      THR  52   4.188  -4.701  -1.684
  517   2HG2  THR  52          3HG2      THR  52   5.648  -5.561  -2.172
  518   3HG2  THR  52          2HG2      THR  52   4.820  -4.509  -3.320
  519    QG2  THR  52           QG2      THR  52   4.885  -4.924  -2.392
  520    H    PHE  53           H        PHE  53   2.184  -3.564  -2.327
  521    HA   PHE  53           HA       PHE  53   0.722  -3.085  -4.879
  522   1HB   PHE  53          2HB       PHE  53   1.080  -1.575  -2.288
  523   2HB   PHE  53          1HB       PHE  53   0.306  -0.845  -3.695
  524    HD1  PHE  53          1HD       PHE  53   0.099  -3.680  -1.281
  525    HD2  PHE  53          2HD       PHE  53  -1.943  -1.411  -4.315
  526    HE1  PHE  53          1HE       PHE  53  -2.036  -4.798  -0.689
  527    HE2  PHE  53          2HE       PHE  53  -4.066  -2.530  -3.715
  528   1HZ   PHE  53           HZ       PHE  53  -4.114  -4.225  -1.907
  529    QB   PHE  53           QB       PHE  53   0.693  -1.210  -2.992
  530    QG   PHE  53           QD       PHE  53  -0.922  -2.545  -2.798
  531    QZ   PHE  53           QE       PHE  53  -3.051  -3.664  -2.202
  532    QZ   PHE  53           QR       PHE  53  -2.412  -3.329  -2.381
  533    H    THR  54           H        THR  54   1.387  -0.424  -5.440
  534    HA   THR  54           HA       THR  54   4.315  -0.102  -5.378
  535    HB   THR  54           HB       THR  54   3.033  -0.182  -8.089
  536    HG1  THR  54          1HG       THR  54   2.424  -2.159  -7.277
  537   1HG2  THR  54          2HG2      THR  54   5.729  -0.299  -6.880
  538   2HG2  THR  54          1HG2      THR  54   5.483  -1.336  -8.285
  539   3HG2  THR  54          3HG2      THR  54   5.205   0.400  -8.412
  540    QG2  THR  54           QG2      THR  54   5.472  -0.412  -7.859
  541    H    VAL  55           H        VAL  55   3.770   1.880  -4.389
  542    HA   VAL  55           HA       VAL  55   1.973   3.726  -5.822
  543    HB   VAL  55           HB       VAL  55   1.636   3.583  -3.462
  544   1HG1  VAL  55          1HG1      VAL  55   4.621   4.022  -3.230
  545   2HG1  VAL  55          3HG1      VAL  55   3.512   4.219  -1.871
  546   3HG1  VAL  55          2HG1      VAL  55   3.664   2.648  -2.657
  547   1HG2  VAL  55          2HG2      VAL  55   1.535   5.875  -4.427
  548   2HG2  VAL  55          1HG2      VAL  55   1.993   5.883  -2.721
  549   3HG2  VAL  55          3HG2      VAL  55   3.220   6.119  -3.969
  550    QG1  VAL  55           QG1      VAL  55   3.932   3.629  -2.586
  551    QG2  VAL  55           QG2      VAL  55   2.249   5.959  -3.705
  552    QQG  VAL  55           QQG      VAL  55   3.091   4.794  -3.146
  553    H    THR  56           H        THR  56   2.928   4.635  -7.551
  554    HA   THR  56           HA       THR  56   5.753   5.398  -7.625
  555    HB   THR  56           HB       THR  56   3.320   5.510  -9.397
  556    HG1  THR  56          1HG       THR  56   4.438   4.086 -10.529
  557   1HG2  THR  56          2HG2      THR  56   5.822   7.132  -9.751
  558   2HG2  THR  56          1HG2      THR  56   4.986   6.490 -11.165
  559   3HG2  THR  56          3HG2      THR  56   4.144   7.585 -10.065
  560    QG2  THR  56           QG2      THR  56   4.984   7.069 -10.327
  561    H    GLU  57           H        GLU  57   6.452   7.668  -7.826
  562    HA   GLU  57           HA       GLU  57   4.506   9.658  -6.696
  563   1HB   GLU  57          2HB       GLU  57   6.273   8.645  -5.121
  564   2HB   GLU  57          1HB       GLU  57   7.467   9.528  -6.074
  565   1HG   GLU  57          2HG       GLU  57   5.678  11.513  -5.631
  566   2HG   GLU  57          1HG       GLU  57   5.431  10.556  -4.170
  567    QB   GLU  57           QB       GLU  57   6.870   9.086  -5.597
  568    QG   GLU  57           QG       GLU  57   5.555  11.035  -4.900
   
  No H/Q in entry =         568
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1   0.008 -13.279   7.533
    2   2H    MET   1          3HT       MET   1  -1.467 -13.096   8.349
    3   3H    MET   1          2HT       MET   1  -0.513 -14.477   8.620
    4    HA   MET   1           HA       MET   1  -0.938 -15.322   6.451
    5   1HB   MET   1          2HB       MET   1  -2.678 -15.209   8.455
    6   2HB   MET   1          1HB       MET   1  -3.588 -14.216   7.315
    7   1HG   MET   1          2HG       MET   1  -3.032 -16.168   5.632
    8   2HG   MET   1          1HG       MET   1  -2.812 -17.108   7.107
    9   1HE   MET   1          1HE       MET   1  -4.419 -17.466   8.881
   10   2HE   MET   1          3HE       MET   1  -6.087 -17.873   8.452
   11   3HE   MET   1          2HE       MET   1  -4.744 -18.650   7.617
   12    QB   MET   1           QB       MET   1  -3.133 -14.712   7.885
   13    QG   MET   1           QG       MET   1  -2.922 -16.638   6.369
   14    QE   MET   1           QE       MET   1  -5.084 -17.996   8.317
   15    H    THR   2           H        THR   2  -2.784 -12.270   6.850
   16    HA   THR   2           HA       THR   2  -2.679 -11.876   3.889
   17    HB   THR   2           HB       THR   2  -4.345 -10.552   6.055
   18    HG1  THR   2          1HG       THR   2  -5.020 -12.589   4.203
   19   1HG2  THR   2          1HG2      THR   2  -4.198 -10.326   3.076
   20   2HG2  THR   2          3HG2      THR   2  -5.778 -10.199   3.848
   21   3HG2  THR   2          2HG2      THR   2  -4.492  -9.073   4.281
   22    QG2  THR   2           QG2      THR   2  -4.822  -9.866   3.735
   23    H    THR   3           H        THR   3  -0.305 -11.345   5.434
   24    HA   THR   3           HA       THR   3  -0.091  -8.532   6.114
   25    HB   THR   3           HB       THR   3   2.100 -10.481   5.348
   26    HG1  THR   3          1HG       THR   3   1.530 -11.577   7.023
   27   1HG2  THR   3          1HG2      THR   3   2.323  -7.863   5.954
   28   2HG2  THR   3          3HG2      THR   3   2.328  -8.537   7.585
   29   3HG2  THR   3          2HG2      THR   3   3.542  -9.053   6.414
   30    QG2  THR   3           QG2      THR   3   2.731  -8.484   6.651
   31    H    PHE   4           H        PHE   4  -0.574  -7.133   4.422
   32    HA   PHE   4           HA       PHE   4   0.458  -7.636   1.702
   33   1HB   PHE   4          2HB       PHE   4  -1.363  -5.682   3.084
   34   2HB   PHE   4          1HB       PHE   4  -0.754  -5.311   1.470
   35    HD1  PHE   4          1HD       PHE   4  -0.859  -7.387  -0.221
   36    HD2  PHE   4          2HD       PHE   4  -3.364  -6.865   3.224
   37    HE1  PHE   4          1HE       PHE   4  -2.535  -8.916  -1.212
   38    HE2  PHE   4          2HE       PHE   4  -5.043  -8.394   2.229
   39   1HZ   PHE   4           HZ       PHE   4  -4.630  -9.420   0.013
   40    QB   PHE   4           QB       PHE   4  -1.058  -5.496   2.277
   41    QG   PHE   4           QD       PHE   4  -2.111  -7.126   1.502
   42    QZ   PHE   4           QE       PHE   4  -3.789  -8.655   0.509
   43    QZ   PHE   4           QR       PHE   4  -3.286  -8.196   0.807
   44    H    LYS   5           H        LYS   5   1.992  -6.273   0.667
   45    HA   LYS   5           HA       LYS   5   3.627  -4.578   2.524
   46   1HB   LYS   5          2HB       LYS   5   4.348  -6.083  -0.017
   47   2HB   LYS   5          1HB       LYS   5   5.480  -5.155   0.968
   48   1HG   LYS   5          2HG       LYS   5   5.844  -7.167   1.984
   49   2HG   LYS   5          1HG       LYS   5   4.376  -6.754   2.872
   50   1HD   LYS   5          2HD       LYS   5   3.086  -8.261   1.721
   51   2HD   LYS   5          1HD       LYS   5   4.004  -8.064   0.227
   52   1HE   LYS   5          2HE       LYS   5   5.934  -9.261   1.496
   53   2HE   LYS   5          1HE       LYS   5   4.664  -9.780   2.622
   54   1HZ   LYS   5          2HZ       LYS   5   4.462 -10.057  -0.327
   55   2HZ   LYS   5          1HZ       LYS   5   5.002 -11.305   0.693
   56   3HZ   LYS   5          3HZ       LYS   5   3.420 -10.714   0.843
   57    QB   LYS   5           QB       LYS   5   4.914  -5.619   0.476
   58    QG   LYS   5           QG       LYS   5   5.110  -6.961   2.428
   59    QD   LYS   5           QD       LYS   5   3.545  -8.163   0.974
   60    QE   LYS   5           QE       LYS   5   5.299  -9.521   2.059
   61    QZ   LYS   5           QZ       LYS   5   4.295 -10.692   0.403
   62    H    LEU   6           H        LEU   6   5.046  -3.037   0.855
   63    HA   LEU   6           HA       LEU   6   3.405  -1.909  -1.312
   64   1HB   LEU   6          2HB       LEU   6   2.331  -1.021   0.698
   65   2HB   LEU   6          1HB       LEU   6   3.885  -0.470   1.320
   66    HG   LEU   6           HG       LEU   6   4.041   0.922  -0.861
   67   1HD1  LEU   6          2HD1      LEU   6   1.153   0.048  -0.852
   68   2HD1  LEU   6          1HD1      LEU   6   1.654   1.557  -1.615
   69   3HD1  LEU   6          3HD1      LEU   6   2.304   0.021  -2.190
   70   1HD2  LEU   6          2HD2      LEU   6   3.248   1.546   1.639
   71   2HD2  LEU   6          1HD2      LEU   6   3.266   2.729   0.330
   72   3HD2  LEU   6          3HD2      LEU   6   1.760   1.923   0.770
   73    QB   LEU   6           QB       LEU   6   3.108  -0.746   1.009
   74    QD1  LEU   6           QD1      LEU   6   1.704   0.542  -1.552
   75    QD2  LEU   6           QD2      LEU   6   2.758   2.066   0.913
   76    QQD  LEU   6           QQD      LEU   6   2.231   1.304  -0.320
   77    H    ILE   7           H        ILE   7   5.078  -1.758  -2.775
   78    HA   ILE   7           HA       ILE   7   7.771  -0.883  -1.918
   79    HB   ILE   7           HB       ILE   7   6.573  -1.654  -4.607
   80   1HG1  ILE   7          2HG1      ILE   7   8.372  -3.282  -2.790
   81   2HG1  ILE   7          1HG1      ILE   7   6.614  -3.427  -2.782
   82   1HG2  ILE   7          3HG2      ILE   7   9.410  -1.128  -3.692
   83   2HG2  ILE   7          2HG2      ILE   7   9.039  -2.043  -5.154
   84   3HG2  ILE   7          1HG2      ILE   7   8.540  -0.357  -5.018
   85   1HD1  ILE   7          3HD1      ILE   7   6.773  -3.836  -5.299
   86   2HD1  ILE   7          2HD1      ILE   7   8.511  -4.018  -5.061
   87   3HD1  ILE   7          1HD1      ILE   7   7.393  -5.126  -4.269
   88    QG1  ILE   7           QG1      ILE   7   7.493  -3.354  -2.786
   89    QG2  ILE   7           QG2      ILE   7   8.996  -1.176  -4.621
   90    QD1  ILE   7           QD1      ILE   7   7.559  -4.327  -4.877
   91    H    ILE   8           H        ILE   8   8.181   1.307  -1.852
   92    HA   ILE   8           HA       ILE   8   6.328   3.152  -3.193
   93    HB   ILE   8           HB       ILE   8   8.894   3.883  -1.778
   94   1HG1  ILE   8          2HG1      ILE   8   7.426   2.290  -0.371
   95   2HG1  ILE   8          1HG1      ILE   8   7.829   3.833   0.357
   96   1HG2  ILE   8          3HG2      ILE   8   6.316   5.233  -2.526
   97   2HG2  ILE   8          2HG2      ILE   8   7.257   5.842  -1.158
   98   3HG2  ILE   8          1HG2      ILE   8   7.979   5.784  -2.766
   99   1HD1  ILE   8          3HD1      ILE   8   5.388   4.133  -1.124
  100   2HD1  ILE   8          2HD1      ILE   8   5.246   2.723  -0.082
  101   3HD1  ILE   8          1HD1      ILE   8   5.646   4.297   0.612
  102    QG1  ILE   8           QG1      ILE   8   7.628   3.061  -0.007
  103    QG2  ILE   8           QG2      ILE   8   7.184   5.619  -2.150
  104    QD1  ILE   8           QD1      ILE   8   5.427   3.718  -0.198
  105    H    ASN   9           H        ASN   9   6.645   3.575  -5.346
  106    HA   ASN   9           HA       ASN   9   9.411   3.414  -6.459
  107   1HB   ASN   9          2HB       ASN   9   7.494   2.094  -7.411
  108   2HB   ASN   9          1HB       ASN   9   6.713   3.616  -7.833
  109   1HD2  ASN   9          2HD2      ASN   9   8.768   4.191 -10.659
  110   2HD2  ASN   9          1HD2      ASN   9   7.542   4.801  -9.656
  111    QB   ASN   9           QB       ASN   9   7.103   2.855  -7.622
  112    QD2  ASN   9           QD2      ASN   9   8.155   4.496 -10.157
  113    H    GLY  10           H        GLY  10   9.174   5.668  -4.956
  114   1HA   GLY  10          2HA       GLY  10   8.908   7.820  -7.011
  115   2HA   GLY  10          1HA       GLY  10   8.233   8.042  -5.396
  116    QA   GLY  10           QA       GLY  10   8.570   7.931  -6.204
  117    H    LYS  11           H        LYS  11   9.535   9.166  -4.049
  118    HA   LYS  11           HA       LYS  11  12.385   8.579  -3.802
  119   1HB   LYS  11          2HB       LYS  11  13.107  10.836  -4.578
  120   2HB   LYS  11          1HB       LYS  11  12.353   9.903  -5.869
  121   1HG   LYS  11          2HG       LYS  11  10.170  11.072  -5.284
  122   2HG   LYS  11          1HG       LYS  11  11.116  12.142  -4.249
  123   1HD   LYS  11          2HD       LYS  11  12.580  12.590  -6.302
  124   2HD   LYS  11          1HD       LYS  11  11.315  11.803  -7.246
  125   1HE   LYS  11          2HE       LYS  11  10.617  14.036  -7.349
  126   2HE   LYS  11          1HE       LYS  11   9.743  13.491  -5.904
  127   1HZ   LYS  11          3HZ       LYS  11  11.604  14.203  -4.543
  128   2HZ   LYS  11          2HZ       LYS  11  12.445  14.731  -5.922
  129   3HZ   LYS  11          1HZ       LYS  11  11.011  15.509  -5.447
  130    QB   LYS  11           QB       LYS  11  12.730  10.370  -5.224
  131    QG   LYS  11           QG       LYS  11  10.643  11.607  -4.766
  132    QD   LYS  11           QD       LYS  11  11.948  12.197  -6.774
  133    QE   LYS  11           QE       LYS  11  10.180  13.764  -6.627
  134    QZ   LYS  11           QZ       LYS  11  11.687  14.814  -5.304
  135    H    THR  12           H        THR  12  10.350   8.531  -1.895
  136    HA   THR  12           HA       THR  12  11.167  10.775  -0.096
  137    HB   THR  12           HB       THR  12   8.326   9.776  -0.464
  138    HG1  THR  12          1HG       THR  12   8.802  10.809  -2.322
  139   1HG2  THR  12          2HG2      THR  12   9.643  11.987   1.098
  140   2HG2  THR  12          1HG2      THR  12   7.948  12.107   0.624
  141   3HG2  THR  12          3HG2      THR  12   8.484  10.780   1.654
  142    QG2  THR  12           QG2      THR  12   8.692  11.624   1.125
  143    H    LEU  13           H        LEU  13   9.410   7.674  -0.353
  144    HA   LEU  13           HA       LEU  13  10.222   7.014   2.452
  145   1HB   LEU  13          2HB       LEU  13   7.974   6.348   0.602
  146   2HB   LEU  13          1HB       LEU  13   8.427   5.135   1.799
  147    HG   LEU  13           HG       LEU  13   7.874   8.028   2.492
  148   1HD1  LEU  13          2HD1      LEU  13   6.050   5.729   2.033
  149   2HD1  LEU  13          1HD1      LEU  13   5.772   6.640   3.520
  150   3HD1  LEU  13          3HD1      LEU  13   5.722   7.462   1.962
  151   1HD2  LEU  13          3HD2      LEU  13   8.376   5.481   4.026
  152   2HD2  LEU  13          2HD2      LEU  13   9.139   7.059   4.228
  153   3HD2  LEU  13          1HD2      LEU  13   7.477   6.807   4.764
  154    QB   LEU  13           QB       LEU  13   8.200   5.741   1.200
  155    QD1  LEU  13           QD1      LEU  13   5.848   6.610   2.505
  156    QD2  LEU  13           QD2      LEU  13   8.331   6.449   4.339
  157    QQD  LEU  13           QQD      LEU  13   7.089   6.530   3.422
  158    H    LYS  14           H        LYS  14   9.766   5.337  -0.689
  159    HA   LYS  14           HA       LYS  14  10.937   3.529  -1.658
  160   1HB   LYS  14          2HB       LYS  14  13.019   5.157  -0.197
  161   2HB   LYS  14          1HB       LYS  14  13.475   3.734  -1.136
  162   1HG   LYS  14          2HG       LYS  14  12.332   4.710  -3.120
  163   2HG   LYS  14          1HG       LYS  14  11.980   6.158  -2.175
  164   1HD   LYS  14          2HD       LYS  14  13.956   6.849  -3.130
  165   2HD   LYS  14          1HD       LYS  14  14.620   6.020  -1.722
  166   1HE   LYS  14          2HE       LYS  14  14.132   4.141  -3.905
  167   2HE   LYS  14          1HE       LYS  14  15.228   5.447  -4.398
  168   1HZ   LYS  14          2HZ       LYS  14  15.479   3.962  -1.839
  169   2HZ   LYS  14          1HZ       LYS  14  16.354   3.569  -3.242
  170   3HZ   LYS  14          3HZ       LYS  14  16.583   5.074  -2.495
  171    QB   LYS  14           QB       LYS  14  13.247   4.446  -0.667
  172    QG   LYS  14           QG       LYS  14  12.156   5.434  -2.648
  173    QD   LYS  14           QD       LYS  14  14.288   6.434  -2.426
  174    QE   LYS  14           QE       LYS  14  14.680   4.794  -4.151
  175    QZ   LYS  14           QZ       LYS  14  16.139   4.202  -2.525
  176    H    GLY  15           H        GLY  15   9.868   1.849  -0.426
  177   1HA   GLY  15          2HA       GLY  15  11.583   0.118   1.039
  178   2HA   GLY  15          1HA       GLY  15  10.613   1.027   2.198
  179    QA   GLY  15           QA       GLY  15  11.098   0.572   1.619
  180    H    GLU  16           H        GLU  16  10.212  -1.635   2.202
  181    HA   GLU  16           HA       GLU  16   7.589  -1.991   0.786
  182   1HB   GLU  16          2HB       GLU  16   9.538  -3.273  -0.151
  183   2HB   GLU  16          1HB       GLU  16   9.707  -4.070   1.412
  184   1HG   GLU  16          2HG       GLU  16   7.537  -5.085   1.224
  185   2HG   GLU  16          1HG       GLU  16   7.136  -4.104  -0.186
  186    QB   GLU  16           QB       GLU  16   9.622  -3.671   0.630
  187    QG   GLU  16           QG       GLU  16   7.336  -4.594   0.519
  188    H    ILE  17           H        ILE  17   7.306  -0.915   3.204
  189    HA   ILE  17           HA       ILE  17   7.472  -2.578   5.514
  190    HB   ILE  17           HB       ILE  17   7.091  -0.138   5.506
  191   1HG1  ILE  17          2HG1      ILE  17   4.850  -0.297   6.990
  192   2HG1  ILE  17          1HG1      ILE  17   5.249  -2.013   6.915
  193   1HG2  ILE  17          2HG2      ILE  17   5.301  -0.597   3.517
  194   2HG2  ILE  17          1HG2      ILE  17   4.205  -0.419   4.886
  195   3HG2  ILE  17          3HG2      ILE  17   5.325   0.882   4.479
  196   1HD1  ILE  17          1HD1      ILE  17   7.147   0.183   7.794
  197   2HD1  ILE  17          3HD1      ILE  17   6.301  -0.923   8.875
  198   3HD1  ILE  17          2HD1      ILE  17   7.511  -1.542   7.752
  199    QG1  ILE  17           QG1      ILE  17   5.049  -1.155   6.952
  200    QG2  ILE  17           QG2      ILE  17   4.944  -0.045   4.294
  201    QD1  ILE  17           QD1      ILE  17   6.986  -0.760   8.140
  202    H    THR  18           H        THR  18   6.165  -4.221   6.264
  203    HA   THR  18           HA       THR  18   3.915  -5.095   4.504
  204    HB   THR  18           HB       THR  18   4.301  -7.266   5.631
  205    HG1  THR  18          1HG       THR  18   6.074  -7.355   7.105
  206   1HG2  THR  18          2HG2      THR  18   6.020  -5.999   3.849
  207   2HG2  THR  18          1HG2      THR  18   7.101  -6.609   5.102
  208   3HG2  THR  18          3HG2      THR  18   6.028  -7.718   4.247
  209    QG2  THR  18           QG2      THR  18   6.383  -6.775   4.400
  210    H    ILE  19           H        ILE  19   1.825  -5.144   5.298
  211    HA   ILE  19           HA       ILE  19   1.391  -4.811   8.235
  212    HB   ILE  19           HB       ILE  19  -0.231  -2.994   7.751
  213   1HG1  ILE  19          2HG1      ILE  19   0.330  -2.058   5.249
  214   2HG1  ILE  19          1HG1      ILE  19   0.412  -3.797   4.969
  215   1HG2  ILE  19          2HG2      ILE  19   2.186  -2.521   8.236
  216   2HG2  ILE  19          1HG2      ILE  19   2.473  -2.444   6.497
  217   3HG2  ILE  19          3HG2      ILE  19   1.403  -1.272   7.268
  218   1HD1  ILE  19          1HD1      ILE  19  -1.828  -3.982   6.152
  219   2HD1  ILE  19          3HD1      ILE  19  -1.913  -2.221   6.099
  220   3HD1  ILE  19          2HD1      ILE  19  -1.871  -3.147   4.598
  221    QG1  ILE  19           QG1      ILE  19   0.371  -2.928   5.109
  222    QG2  ILE  19           QG2      ILE  19   2.021  -2.079   7.334
  223    QD1  ILE  19           QD1      ILE  19  -1.871  -3.117   5.616
  224    H    GLU  20           H        GLU  20  -0.316  -6.032   8.964
  225    HA   GLU  20           HA       GLU  20  -1.667  -7.850   7.115
  226   1HB   GLU  20          2HB       GLU  20  -1.816  -7.274  10.086
  227   2HB   GLU  20          1HB       GLU  20  -2.768  -8.541   9.311
  228   1HG   GLU  20          2HG       GLU  20  -0.348  -9.159   8.306
  229   2HG   GLU  20          1HG       GLU  20   0.162  -8.417   9.823
  230    QB   GLU  20           QB       GLU  20  -2.292  -7.907   9.698
  231    QG   GLU  20           QG       GLU  20  -0.093  -8.788   9.065
  232    H    ALA  21           H        ALA  21  -3.978  -7.937   6.798
  233    HA   ALA  21           HA       ALA  21  -5.728  -5.817   7.789
  234   1HB   ALA  21          2HB       ALA  21  -4.406  -5.738   5.098
  235   2HB   ALA  21          1HB       ALA  21  -6.054  -5.125   5.242
  236   3HB   ALA  21          3HB       ALA  21  -4.759  -4.411   6.204
  237    QB   ALA  21           QB       ALA  21  -5.073  -5.092   5.515
  238    H    VAL  22           H        VAL  22  -7.944  -6.069   6.854
  239    HA   VAL  22           HA       VAL  22  -8.891  -8.714   6.800
  240    HB   VAL  22           HB       VAL  22 -10.241  -6.699   7.226
  241   1HG1  VAL  22          3HG1      VAL  22  -9.015  -5.434   5.301
  242   2HG1  VAL  22          2HG1      VAL  22 -10.254  -6.139   4.265
  243   3HG1  VAL  22          1HG1      VAL  22 -10.717  -5.074   5.593
  244   1HG2  VAL  22          3HG2      VAL  22 -11.393  -8.752   6.469
  245   2HG2  VAL  22          2HG2      VAL  22 -12.223  -7.308   5.890
  246   3HG2  VAL  22          1HG2      VAL  22 -11.203  -8.238   4.793
  247    QG1  VAL  22           QG1      VAL  22  -9.995  -5.549   5.053
  248    QG2  VAL  22           QG2      VAL  22 -11.607  -8.099   5.717
  249    QQG  VAL  22           QQG      VAL  22 -10.801  -6.824   5.385
  250    H    ASP  23           H        ASP  23  -7.966  -6.608   4.097
  251    HA   ASP  23           HA       ASP  23  -7.475  -8.917   2.353
  252   1HB   ASP  23          2HB       ASP  23  -9.880  -7.133   2.171
  253   2HB   ASP  23          1HB       ASP  23  -9.143  -7.689   0.668
  254    QB   ASP  23           QB       ASP  23  -9.511  -7.411   1.419
  255    H    ALA  24           H        ALA  24  -6.787  -7.976   0.081
  256    HA   ALA  24           HA       ALA  24  -4.702  -6.061   0.470
  257   1HB   ALA  24          2HB       ALA  24  -5.309  -7.860  -1.423
  258   2HB   ALA  24          1HB       ALA  24  -5.959  -6.427  -2.220
  259   3HB   ALA  24          3HB       ALA  24  -4.255  -6.483  -1.762
  260    QB   ALA  24           QB       ALA  24  -5.174  -6.923  -1.801
  261    H    ALA  25           H        ALA  25  -8.090  -5.713  -0.412
  262    HA   ALA  25           HA       ALA  25  -8.118  -3.098  -1.486
  263   1HB   ALA  25          3HB       ALA  25 -10.109  -4.535   0.297
  264   2HB   ALA  25          2HB       ALA  25 -10.483  -3.130  -0.700
  265   3HB   ALA  25          1HB       ALA  25 -10.027  -4.655  -1.460
  266    QB   ALA  25           QB       ALA  25 -10.206  -4.107  -0.621
  267    H    GLU  26           H        GLU  26  -8.375  -4.190   1.902
  268    HA   GLU  26           HA       GLU  26  -8.531  -1.539   3.052
  269   1HB   GLU  26          2HB       GLU  26  -9.233  -3.743   4.086
  270   2HB   GLU  26          1HB       GLU  26  -7.523  -4.131   4.278
  271   1HG   GLU  26          2HG       GLU  26  -8.170  -3.190   6.363
  272   2HG   GLU  26          1HG       GLU  26  -7.328  -1.887   5.522
  273    QB   GLU  26           QB       GLU  26  -8.378  -3.937   4.182
  274    QG   GLU  26           QG       GLU  26  -7.749  -2.539   5.942
  275    H    ALA  27           H        ALA  27  -5.876  -3.847   2.483
  276    HA   ALA  27           HA       ALA  27  -3.738  -2.417   3.694
  277   1HB   ALA  27          3HB       ALA  27  -4.150  -4.527   1.679
  278   2HB   ALA  27          2HB       ALA  27  -2.651  -3.623   1.451
  279   3HB   ALA  27          1HB       ALA  27  -2.965  -4.443   2.983
  280    QB   ALA  27           QB       ALA  27  -3.256  -4.198   2.038
  281    H    GLU  28           H        GLU  28  -5.025  -2.239   0.362
  282    HA   GLU  28           HA       GLU  28  -3.232  -0.278  -0.669
  283   1HB   GLU  28          2HB       GLU  28  -5.076  -1.755  -1.781
  284   2HB   GLU  28          1HB       GLU  28  -6.166  -0.433  -1.364
  285   1HG   GLU  28          2HG       GLU  28  -4.371   1.089  -2.486
  286   2HG   GLU  28          1HG       GLU  28  -3.805  -0.402  -3.240
  287    QB   GLU  28           QB       GLU  28  -5.621  -1.094  -1.573
  288    QG   GLU  28           QG       GLU  28  -4.088   0.343  -2.863
  289    H    LYS  29           H        LYS  29  -6.235   0.031   1.217
  290    HA   LYS  29           HA       LYS  29  -6.422   2.920   1.061
  291   1HB   LYS  29          2HB       LYS  29  -7.424   0.888   3.091
  292   2HB   LYS  29          1HB       LYS  29  -7.978   2.559   2.987
  293   1HG   LYS  29          2HG       LYS  29  -8.159   1.405   0.367
  294   2HG   LYS  29          1HG       LYS  29  -8.911   0.291   1.507
  295   1HD   LYS  29          2HD       LYS  29 -10.655   1.770   0.868
  296   2HD   LYS  29          1HD       LYS  29 -10.134   2.348   2.452
  297   1HE   LYS  29          2HE       LYS  29  -8.606   3.983   1.260
  298   2HE   LYS  29          1HE       LYS  29  -9.401   3.509  -0.254
  299   1HZ   LYS  29          3HZ       LYS  29 -11.544   4.027   0.761
  300   2HZ   LYS  29          2HZ       LYS  29 -10.763   4.533   2.183
  301   3HZ   LYS  29          1HZ       LYS  29 -10.540   5.394   0.735
  302    QB   LYS  29           QB       LYS  29  -7.701   1.723   3.039
  303    QG   LYS  29           QG       LYS  29  -8.535   0.848   0.937
  304    QD   LYS  29           QD       LYS  29 -10.394   2.059   1.660
  305    QE   LYS  29           QE       LYS  29  -9.004   3.746   0.503
  306    QZ   LYS  29           QZ       LYS  29 -10.949   4.651   1.226
  307    H    ILE  30           H        ILE  30  -5.231   0.690   3.594
  308    HA   ILE  30           HA       ILE  30  -4.202   2.634   5.410
  309    HB   ILE  30           HB       ILE  30  -3.263  -0.181   4.722
  310   1HG1  ILE  30          2HG1      ILE  30  -4.984   0.567   7.071
  311   2HG1  ILE  30          1HG1      ILE  30  -5.726   0.364   5.485
  312   1HG2  ILE  30          2HG2      ILE  30  -2.484   1.772   6.831
  313   2HG2  ILE  30          1HG2      ILE  30  -2.728   0.106   7.356
  314   3HG2  ILE  30          3HG2      ILE  30  -1.545   0.471   6.100
  315   1HD1  ILE  30          2HD1      ILE  30  -3.820  -1.756   6.338
  316   2HD1  ILE  30          1HD1      ILE  30  -5.366  -1.696   7.187
  317   3HD1  ILE  30          3HD1      ILE  30  -5.329  -1.896   5.435
  318    QG1  ILE  30           QG1      ILE  30  -5.355   0.466   6.278
  319    QG2  ILE  30           QG2      ILE  30  -2.252   0.783   6.762
  320    QD1  ILE  30           QD1      ILE  30  -4.838  -1.782   6.320
  321    H    PHE  31           H        PHE  31  -2.756   1.026   2.596
  322    HA   PHE  31           HA       PHE  31  -0.142   2.263   2.847
  323   1HB   PHE  31          2HB       PHE  31  -1.700   0.763   0.740
  324   2HB   PHE  31          1HB       PHE  31  -0.139   1.480   0.343
  325    HD1  PHE  31          1HD       PHE  31   1.504   1.110   2.672
  326    HD2  PHE  31          2HD       PHE  31  -1.456  -1.531   1.024
  327    HE1  PHE  31          1HE       PHE  31   2.656  -0.827   3.708
  328    HE2  PHE  31          2HE       PHE  31  -0.304  -3.466   2.062
  329   1HZ   PHE  31           HZ       PHE  31   1.752  -3.116   3.403
  330    QB   PHE  31           QB       PHE  31  -0.919   1.122   0.541
  331    QG   PHE  31           QD       PHE  31   0.024  -0.211   1.848
  332    QZ   PHE  31           QE       PHE  31   1.176  -2.147   2.885
  333    QZ   PHE  31           QR       PHE  31   0.831  -1.566   2.574
  334    H    LYS  32           H        LYS  32  -3.141   3.021   1.104
  335    HA   LYS  32           HA       LYS  32  -2.038   5.289  -0.310
  336   1HB   LYS  32          2HB       LYS  32  -4.755   4.094   0.124
  337   2HB   LYS  32          1HB       LYS  32  -4.580   5.645  -0.692
  338   1HG   LYS  32          2HG       LYS  32  -3.110   4.666  -2.362
  339   2HG   LYS  32          1HG       LYS  32  -3.125   3.117  -1.519
  340   1HD   LYS  32          2HD       LYS  32  -5.404   2.726  -2.048
  341   2HD   LYS  32          1HD       LYS  32  -5.676   4.414  -2.482
  342   1HE   LYS  32          2HE       LYS  32  -3.884   3.994  -4.335
  343   2HE   LYS  32          1HE       LYS  32  -4.243   2.279  -4.058
  344   1HZ   LYS  32          1HZ       LYS  32  -6.289   4.376  -4.551
  345   2HZ   LYS  32          3HZ       LYS  32  -5.724   3.294  -5.728
  346   3HZ   LYS  32          2HZ       LYS  32  -6.572   2.710  -4.376
  347    QB   LYS  32           QB       LYS  32  -4.667   4.870  -0.284
  348    QG   LYS  32           QG       LYS  32  -3.118   3.892  -1.941
  349    QD   LYS  32           QD       LYS  32  -5.540   3.570  -2.265
  350    QE   LYS  32           QE       LYS  32  -4.063   3.137  -4.196
  351    QZ   LYS  32           QZ       LYS  32  -6.195   3.460  -4.885
  352    H    GLN  33           H        GLN  33  -2.646   4.938   2.935
  353    HA   GLN  33           HA       GLN  33  -3.604   7.775   3.269
  354   1HB   GLN  33          2HB       GLN  33  -4.623   5.552   4.356
  355   2HB   GLN  33          1HB       GLN  33  -3.303   5.789   5.499
  356   1HG   GLN  33          2HG       GLN  33  -4.134   7.868   6.218
  357   2HG   GLN  33          1HG       GLN  33  -5.132   8.070   4.777
  358   1HE2  GLN  33          2HE2      GLN  33  -7.273   6.957   7.691
  359   2HE2  GLN  33          1HE2      GLN  33  -6.176   8.237   7.489
  360    QB   GLN  33           QB       GLN  33  -3.963   5.671   4.928
  361    QG   GLN  33           QG       GLN  33  -4.633   7.969   5.497
  362    QE2  GLN  33           QE2      GLN  33  -6.724   7.597   7.590
  363    H    TYR  34           H        TYR  34  -1.372   5.301   4.277
  364    HA   TYR  34           HA       TYR  34   0.561   6.677   5.799
  365   1HB   TYR  34          2HB       TYR  34   0.590   4.326   5.665
  366   2HB   TYR  34          1HB       TYR  34   0.321   4.333   3.918
  367    HD1  TYR  34          2HD       TYR  34   2.893   5.440   6.455
  368    HD2  TYR  34          1HD       TYR  34   2.149   3.799   2.556
  369    HE1  TYR  34          2HE       TYR  34   5.333   5.157   6.108
  370    HE2  TYR  34          1HE       TYR  34   4.588   3.515   2.209
  371    HH   TYR  34           HH       TYR  34   6.730   3.310   4.309
  372    QB   TYR  34           QB       TYR  34   0.456   4.330   4.792
  373    QG   TYR  34           QD       TYR  34   2.521   4.620   4.505
  374    QZ   TYR  34           QE       TYR  34   4.960   4.336   4.159
  375    QR   TYR  34           QR       TYR  34   3.741   4.478   4.332
  376    H    ALA  35           H        ALA  35  -0.014   6.530   2.323
  377    HA   ALA  35           HA       ALA  35   2.442   7.712   1.359
  378   1HB   ALA  35          2HB       ALA  35  -0.271   6.999   0.409
  379   2HB   ALA  35          1HB       ALA  35   0.464   8.360  -0.449
  380   3HB   ALA  35          3HB       ALA  35   1.289   6.797  -0.392
  381    QB   ALA  35           QB       ALA  35   0.494   7.385  -0.144
  382    H    ASN  36           H        ASN  36  -0.844   9.108   1.506
  383    HA   ASN  36           HA       ASN  36  -0.190  11.826   1.109
  384   1HB   ASN  36          2HB       ASN  36  -2.385  10.437   2.667
  385   2HB   ASN  36          1HB       ASN  36  -2.407  12.164   2.307
  386   1HD2  ASN  36          2HD2      ASN  36  -3.261   9.477  -0.637
  387   2HD2  ASN  36          1HD2      ASN  36  -2.752   8.950   0.894
  388    QB   ASN  36           QB       ASN  36  -2.396  11.300   2.487
  389    QD2  ASN  36           QD2      ASN  36  -3.007   9.213   0.128
  390    H    ASP  37           H        ASP  37  -0.411   9.987   4.152
  391    HA   ASP  37           HA       ASP  37  -0.138  12.009   6.063
  392   1HB   ASP  37          2HB       ASP  37   0.634   9.153   5.796
  393   2HB   ASP  37          1HB       ASP  37   1.359  10.035   7.140
  394    QB   ASP  37           QB       ASP  37   0.996   9.594   6.468
  395    H    ASN  38           H        ASN  38   2.273  10.802   3.872
  396    HA   ASN  38           HA       ASN  38   4.365  12.445   5.167
  397   1HB   ASN  38          2HB       ASN  38   4.594   9.931   4.697
  398   2HB   ASN  38          1HB       ASN  38   4.695  10.379   2.993
  399   1HD2  ASN  38          2HD2      ASN  38   8.038  10.525   5.079
  400   2HD2  ASN  38          1HD2      ASN  38   6.693   9.549   5.429
  401    QB   ASN  38           QB       ASN  38   4.644  10.155   3.845
  402    QD2  ASN  38           QD2      ASN  38   7.365  10.037   5.254
  403    H    GLY  39           H        GLY  39   3.203  11.569   1.906
  404   1HA   GLY  39          2HA       GLY  39   2.598  13.801   0.625
  405   2HA   GLY  39          1HA       GLY  39   4.334  14.083   0.812
  406    QA   GLY  39           QA       GLY  39   3.466  13.942   0.718
  407    H    ILE  40           H        ILE  40   2.175  11.402  -0.134
  408    HA   ILE  40           HA       ILE  40   4.140  10.656  -2.279
  409    HB   ILE  40           HB       ILE  40   2.197   9.206  -0.511
  410   1HG1  ILE  40          2HG1      ILE  40   4.773  10.127   0.003
  411   2HG1  ILE  40          1HG1      ILE  40   3.905   8.926   0.939
  412   1HG2  ILE  40          3HG2      ILE  40   2.300   8.139  -2.743
  413   2HG2  ILE  40          2HG2      ILE  40   4.047   7.971  -2.555
  414   3HG2  ILE  40          1HG2      ILE  40   2.954   7.108  -1.468
  415   1HD1  ILE  40          1HD1      ILE  40   5.533   8.170  -1.476
  416   2HD1  ILE  40          3HD1      ILE  40   6.258   8.315   0.128
  417   3HD1  ILE  40          2HD1      ILE  40   4.974   7.136  -0.154
  418    QG1  ILE  40           QG1      ILE  40   4.339   9.526   0.471
  419    QG2  ILE  40           QG2      ILE  40   3.100   7.739  -2.255
  420    QD1  ILE  40           QD1      ILE  40   5.589   7.874  -0.501
  421    H    ASP  41           H        ASP  41   3.287  10.621  -4.386
  422    HA   ASP  41           HA       ASP  41   0.467  10.115  -4.932
  423   1HB   ASP  41          2HB       ASP  41   0.984  12.618  -4.031
  424   2HB   ASP  41          1HB       ASP  41   1.242  12.861  -5.759
  425    QB   ASP  41           QB       ASP  41   1.113  12.739  -4.895
  426    H    GLY  42           H        GLY  42   1.139   8.694  -6.567
  427   1HA   GLY  42          2HA       GLY  42   2.048   9.951  -9.066
  428   2HA   GLY  42          1HA       GLY  42   3.132   8.726  -8.409
  429    QA   GLY  42           QA       GLY  42   2.590   9.339  -8.737
  430    H    GLU  43           H        GLU  43   2.608   6.570  -8.690
  431    HA   GLU  43           HA       GLU  43  -0.043   5.971  -9.989
  432   1HB   GLU  43          2HB       GLU  43   2.340   5.948 -11.226
  433   2HB   GLU  43          1HB       GLU  43   2.386   4.325 -10.535
  434   1HG   GLU  43          2HG       GLU  43  -0.024   4.100 -11.500
  435   2HG   GLU  43          1HG       GLU  43   0.424   5.476 -12.509
  436    QB   GLU  43           QB       GLU  43   2.363   5.137 -10.880
  437    QG   GLU  43           QG       GLU  43   0.200   4.788 -12.005
  438    H    TRP  44           H        TRP  44  -1.187   4.296  -9.052
  439    HA   TRP  44           HA       TRP  44   0.167   2.667  -6.903
  440   1HB   TRP  44          2HB       TRP  44  -2.580   3.835  -7.320
  441   2HB   TRP  44          1HB       TRP  44  -2.387   2.405  -6.299
  442    HD1  TRP  44           HD       TRP  44  -1.416   6.097  -6.499
  443    HE1  TRP  44          1HE       TRP  44  -0.567   6.833  -4.176
  444    HE3  TRP  44          3HE       TRP  44  -1.349   1.581  -4.145
  445    HZ2  TRP  44          2HZ       TRP  44   0.066   5.648  -1.648
  446    HZ3  TRP  44          3HZ       TRP  44  -0.616   1.408  -1.775
  447    HH2  TRP  44           HH       TRP  44   0.095   3.435  -0.535
  448    QB   TRP  44           QB       TRP  44  -2.483   3.120  -6.810
  449    H    THR  45           H        THR  45   0.250   0.497  -7.213
  450    HA   THR  45           HA       THR  45  -1.675  -0.803  -9.081
  451    HB   THR  45           HB       THR  45   0.060  -1.781 -10.394
  452    HG1  THR  45          1HG       THR  45   2.261  -1.503  -9.789
  453   1HG2  THR  45          2HG2      THR  45  -0.340   0.613 -10.898
  454   2HG2  THR  45          1HG2      THR  45   0.964   1.043  -9.787
  455   3HG2  THR  45          3HG2      THR  45   1.320   0.132 -11.258
  456    QG2  THR  45           QG2      THR  45   0.648   0.596 -10.647
  457    H    TYR  46           H        TYR  46  -2.327  -2.727  -8.244
  458    HA   TYR  46           HA       TYR  46  -0.960  -3.721  -5.792
  459   1HB   TYR  46          2HB       TYR  46  -3.323  -3.302  -5.595
  460   2HB   TYR  46          1HB       TYR  46  -3.667  -4.195  -7.078
  461    HD1  TYR  46          1HD       TYR  46  -1.720  -4.832  -3.930
  462    HD2  TYR  46          2HD       TYR  46  -4.646  -6.282  -6.717
  463    HE1  TYR  46          1HE       TYR  46  -1.911  -6.931  -2.632
  464    HE2  TYR  46          2HE       TYR  46  -4.839  -8.386  -5.417
  465    HH   TYR  46           HH       TYR  46  -3.325  -9.699  -3.813
  466    QB   TYR  46           QB       TYR  46  -3.495  -3.748  -6.336
  467    QG   TYR  46           QD       TYR  46  -3.183  -5.557  -5.323
  468    QZ   TYR  46           QE       TYR  46  -3.375  -7.659  -4.024
  469    QR   TYR  46           QR       TYR  46  -3.279  -6.608  -4.674
  470    H    ASP  47           H        ASP  47   0.063  -5.708  -5.762
  471    HA   ASP  47           HA       ASP  47   0.175  -7.237  -8.335
  472   1HB   ASP  47          2HB       ASP  47   2.036  -7.123  -5.935
  473   2HB   ASP  47          1HB       ASP  47   2.330  -8.053  -7.403
  474    QB   ASP  47           QB       ASP  47   2.183  -7.588  -6.669
  475    H    ASP  48           H        ASP  48  -1.577  -8.666  -8.072
  476    HA   ASP  48           HA       ASP  48  -2.251  -9.988  -5.602
  477   1HB   ASP  48          2HB       ASP  48  -3.701 -11.335  -7.112
  478   2HB   ASP  48          1HB       ASP  48  -3.826  -9.608  -7.438
  479    QB   ASP  48           QB       ASP  48  -3.764 -10.472  -7.275
  480    H    ALA  49           H        ALA  49   0.381 -10.515  -7.675
  481    HA   ALA  49           HA       ALA  49   0.533 -13.433  -7.283
  482   1HB   ALA  49          1HB       ALA  49   1.176 -12.219  -9.394
  483   2HB   ALA  49          3HB       ALA  49   2.490 -11.455  -8.500
  484   3HB   ALA  49          2HB       ALA  49   2.481 -13.204  -8.733
  485    QB   ALA  49           QB       ALA  49   2.049 -12.293  -8.876
  486    H    THR  50           H        THR  50   1.896 -10.453  -5.989
  487    HA   THR  50           HA       THR  50   3.478 -12.082  -4.028
  488    HB   THR  50           HB       THR  50   5.074 -10.162  -4.083
  489    HG1  THR  50          1HG       THR  50   3.494  -9.283  -6.263
  490   1HG2  THR  50          3HG2      THR  50   5.024 -12.213  -5.737
  491   2HG2  THR  50          2HG2      THR  50   4.645 -10.976  -6.935
  492   3HG2  THR  50          1HG2      THR  50   6.147 -10.883  -6.014
  493    QG2  THR  50           QG2      THR  50   5.272 -11.357  -6.228
  494    H    LYS  51           H        LYS  51   0.732 -10.299  -4.296
  495    HA   LYS  51           HA       LYS  51  -0.568  -9.035  -2.790
  496   1HB   LYS  51          2HB       LYS  51   1.369 -10.345  -0.847
  497   2HB   LYS  51          1HB       LYS  51  -0.198  -9.655  -0.424
  498   1HG   LYS  51          2HG       LYS  51   0.111 -11.859  -2.474
  499   2HG   LYS  51          1HG       LYS  51  -0.165 -12.183  -0.762
  500   1HD   LYS  51          2HD       LYS  51  -2.276 -11.034  -0.800
  501   2HD   LYS  51          1HD       LYS  51  -1.967 -10.401  -2.418
  502   1HE   LYS  51          2HE       LYS  51  -2.582 -12.357  -3.436
  503   2HE   LYS  51          1HE       LYS  51  -1.843 -13.359  -2.170
  504   1HZ   LYS  51          1HZ       LYS  51  -4.270 -11.713  -1.723
  505   2HZ   LYS  51          3HZ       LYS  51  -4.340 -13.344  -2.183
  506   3HZ   LYS  51          2HZ       LYS  51  -3.625 -12.910  -0.704
  507    QB   LYS  51           QB       LYS  51   0.586 -10.000  -0.635
  508    QG   LYS  51           QG       LYS  51  -0.027 -12.021  -1.618
  509    QD   LYS  51           QD       LYS  51  -2.122 -10.718  -1.609
  510    QE   LYS  51           QE       LYS  51  -2.213 -12.858  -2.803
  511    QZ   LYS  51           QZ       LYS  51  -4.078 -12.655  -1.537
  512    H    THR  52           H        THR  52   1.656  -7.678  -4.033
  513    HA   THR  52           HA       THR  52   2.372  -5.728  -1.854
  514    HB   THR  52           HB       THR  52   4.037  -6.393  -4.290
  515    HG1  THR  52          1HG       THR  52   4.267  -7.489  -1.687
  516   1HG2  THR  52          2HG2      THR  52   4.481  -4.969  -1.672
  517   2HG2  THR  52          1HG2      THR  52   5.834  -5.605  -2.607
  518   3HG2  THR  52          3HG2      THR  52   4.777  -4.380  -3.307
  519    QG2  THR  52           QG2      THR  52   5.030  -4.984  -2.529
  520    H    PHE  53           H        PHE  53   1.993  -3.573  -2.344
  521    HA   PHE  53           HA       PHE  53   0.631  -2.980  -4.906
  522   1HB   PHE  53          2HB       PHE  53   1.050  -1.529  -2.284
  523   2HB   PHE  53          1HB       PHE  53   0.222  -0.787  -3.654
  524    HD1  PHE  53          2HD       PHE  53   0.130  -3.661  -1.284
  525    HD2  PHE  53          1HD       PHE  53  -2.041  -1.364  -4.202
  526    HE1  PHE  53          2HE       PHE  53  -1.971  -4.825  -0.645
  527    HE2  PHE  53          1HE       PHE  53  -4.129  -2.530  -3.557
  528   1HZ   PHE  53           HZ       PHE  53  -4.094  -4.256  -1.782
  529    QB   PHE  53           QB       PHE  53   0.636  -1.158  -2.969
  530    QG   PHE  53           QD       PHE  53  -0.956  -2.512  -2.743
  531    QZ   PHE  53           QE       PHE  53  -3.050  -3.677  -2.101
  532    QZ   PHE  53           QR       PHE  53  -2.421  -3.327  -2.294
  533    H    THR  54           H        THR  54   1.318  -0.345  -5.456
  534    HA   THR  54           HA       THR  54   4.243  -0.018  -5.348
  535    HB   THR  54           HB       THR  54   3.044  -0.044  -8.092
  536    HG1  THR  54          1HG       THR  54   2.431  -2.034  -7.776
  537   1HG2  THR  54          3HG2      THR  54   5.489   0.508  -7.275
  538   2HG2  THR  54          2HG2      THR  54   5.662  -1.246  -7.277
  539   3HG2  THR  54          1HG2      THR  54   5.235  -0.402  -8.764
  540    QG2  THR  54           QG2      THR  54   5.462  -0.380  -7.772
  541    H    VAL  55           H        VAL  55   3.863   1.980  -4.439
  542    HA   VAL  55           HA       VAL  55   2.013   3.847  -5.822
  543    HB   VAL  55           HB       VAL  55   1.617   3.612  -3.477
  544   1HG1  VAL  55          1HG1      VAL  55   4.589   4.087  -3.131
  545   2HG1  VAL  55          3HG1      VAL  55   3.427   4.165  -1.806
  546   3HG1  VAL  55          2HG1      VAL  55   3.653   2.651  -2.681
  547   1HG2  VAL  55          3HG2      VAL  55   1.553   5.940  -4.377
  548   2HG2  VAL  55          2HG2      VAL  55   1.927   5.879  -2.655
  549   3HG2  VAL  55          1HG2      VAL  55   3.213   6.163  -3.826
  550    QG1  VAL  55           QG1      VAL  55   3.890   3.635  -2.540
  551    QG2  VAL  55           QG2      VAL  55   2.231   5.994  -3.619
  552    QQG  VAL  55           QQG      VAL  55   3.060   4.814  -3.079
  553    H    THR  56           H        THR  56   3.292   4.408  -7.618
  554    HA   THR  56           HA       THR  56   6.003   5.418  -7.409
  555    HB   THR  56           HB       THR  56   3.797   5.175  -9.421
  556    HG1  THR  56          1HG       THR  56   5.294   3.574  -9.315
  557   1HG2  THR  56          3HG2      THR  56   6.171   7.006  -9.877
  558   2HG2  THR  56          2HG2      THR  56   5.037   6.478 -11.118
  559   3HG2  THR  56          1HG2      THR  56   4.480   7.505  -9.796
  560    QG2  THR  56           QG2      THR  56   5.229   6.996 -10.264
  561    H    GLU  57           H        GLU  57   6.409   7.824  -8.085
  562    HA   GLU  57           HA       GLU  57   4.345   9.624  -6.861
  563   1HB   GLU  57          2HB       GLU  57   6.430   8.891  -5.462
  564   2HB   GLU  57          1HB       GLU  57   7.317   9.998  -6.510
  565   1HG   GLU  57          2HG       GLU  57   5.247  11.594  -5.868
  566   2HG   GLU  57          1HG       GLU  57   5.285  10.589  -4.418
  567    QB   GLU  57           QB       GLU  57   6.873   9.444  -5.986
  568    QG   GLU  57           QG       GLU  57   5.266  11.091  -5.143
   
  No H/Q in entry =         568
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1  -2.784 -15.969   6.346
    2   2H    MET   1          3HT       MET   1  -2.573 -16.083   8.025
    3   3H    MET   1          2HT       MET   1  -3.782 -15.072   7.389
    4    HA   MET   1           HA       MET   1  -1.917 -13.724   8.100
    5   1HB   MET   1          2HB       MET   1  -0.498 -15.741   6.347
    6   2HB   MET   1          1HB       MET   1   0.262 -14.228   6.839
    7   1HG   MET   1          2HG       MET   1  -0.324 -14.885   9.243
    8   2HG   MET   1          1HG       MET   1  -0.692 -16.488   8.607
    9   1HE   MET   1          3HE       MET   1   0.900 -16.459  10.700
   10   2HE   MET   1          2HE       MET   1   2.602 -16.863  10.497
   11   3HE   MET   1          1HE       MET   1   2.120 -15.178  10.673
   12    QB   MET   1           QB       MET   1  -0.118 -14.985   6.593
   13    QG   MET   1           QG       MET   1  -0.508 -15.687   8.925
   14    QE   MET   1           QE       MET   1   1.874 -16.166  10.623
   15    H    THR   2           H        THR   2  -2.293 -11.802   7.083
   16    HA   THR   2           HA       THR   2  -2.420 -11.759   4.085
   17    HB   THR   2           HB       THR   2  -4.179 -10.278   6.068
   18    HG1  THR   2          1HG       THR   2  -5.760 -11.741   5.344
   19   1HG2  THR   2          1HG2      THR   2  -3.872 -10.257   3.101
   20   2HG2  THR   2          3HG2      THR   2  -5.506 -10.139   3.752
   21   3HG2  THR   2          2HG2      THR   2  -4.292  -8.940   4.196
   22    QG2  THR   2           QG2      THR   2  -4.556  -9.779   3.683
   23    H    THR   3           H        THR   3  -0.170 -11.078   5.854
   24    HA   THR   3           HA       THR   3   0.045  -8.259   6.326
   25    HB   THR   3           HB       THR   3   2.334 -10.082   5.578
   26    HG1  THR   3          1HG       THR   3   1.904 -11.303   7.217
   27   1HG2  THR   3          3HG2      THR   3   2.373  -7.526   6.360
   28   2HG2  THR   3          2HG2      THR   3   2.273  -8.279   7.953
   29   3HG2  THR   3          1HG2      THR   3   3.612  -8.672   6.875
   30    QG2  THR   3           QG2      THR   3   2.753  -8.159   7.063
   31    H    PHE   4           H        PHE   4  -0.659  -7.084   4.486
   32    HA   PHE   4           HA       PHE   4   0.415  -7.604   1.814
   33   1HB   PHE   4          2HB       PHE   4  -1.433  -5.681   3.171
   34   2HB   PHE   4          1HB       PHE   4  -0.785  -5.228   1.594
   35    HD1  PHE   4          2HD       PHE   4  -0.831  -7.196  -0.208
   36    HD2  PHE   4          1HD       PHE   4  -3.400  -6.934   3.221
   37    HE1  PHE   4          2HE       PHE   4  -2.457  -8.701  -1.316
   38    HE2  PHE   4          1HE       PHE   4  -5.029  -8.437   2.111
   39   1HZ   PHE   4           HZ       PHE   4  -4.558  -9.323  -0.156
   40    QB   PHE   4           QB       PHE   4  -1.109  -5.454   2.383
   41    QG   PHE   4           QD       PHE   4  -2.115  -7.065   1.506
   42    QZ   PHE   4           QE       PHE   4  -3.743  -8.569   0.397
   43    QZ   PHE   4           QR       PHE   4  -3.255  -8.118   0.730
   44    H    LYS   5           H        LYS   5   2.090  -6.491   0.805
   45    HA   LYS   5           HA       LYS   5   3.706  -4.659   2.527
   46   1HB   LYS   5          2HB       LYS   5   4.340  -6.213  -0.008
   47   2HB   LYS   5          1HB       LYS   5   5.505  -5.272   0.920
   48   1HG   LYS   5          2HG       LYS   5   5.879  -7.059   2.232
   49   2HG   LYS   5          1HG       LYS   5   4.201  -6.998   2.770
   50   1HD   LYS   5          2HD       LYS   5   4.583  -9.196   1.854
   51   2HD   LYS   5          1HD       LYS   5   3.587  -8.313   0.696
   52   1HE   LYS   5          2HE       LYS   5   5.256  -9.262  -0.680
   53   2HE   LYS   5          1HE       LYS   5   5.904  -7.639  -0.367
   54   1HZ   LYS   5          2HZ       LYS   5   6.491 -10.057   1.262
   55   2HZ   LYS   5          1HZ       LYS   5   7.544  -9.383   0.110
   56   3HZ   LYS   5          3HZ       LYS   5   7.137  -8.503   1.502
   57    QB   LYS   5           QB       LYS   5   4.923  -5.742   0.456
   58    QG   LYS   5           QG       LYS   5   5.040  -7.028   2.501
   59    QD   LYS   5           QD       LYS   5   4.085  -8.755   1.275
   60    QE   LYS   5           QE       LYS   5   5.580  -8.450  -0.524
   61    QZ   LYS   5           QZ       LYS   5   7.057  -9.314   0.958
   62    H    LEU   6           H        LEU   6   5.002  -3.034   0.959
   63    HA   LEU   6           HA       LEU   6   3.325  -1.998  -1.250
   64   1HB   LEU   6          2HB       LEU   6   2.328  -1.089   0.807
   65   2HB   LEU   6          1HB       LEU   6   3.899  -0.469   1.312
   66    HG   LEU   6           HG       LEU   6   3.861   0.788  -0.983
   67   1HD1  LEU   6          2HD1      LEU   6   1.104  -0.297  -0.718
   68   2HD1  LEU   6          1HD1      LEU   6   1.246   1.378  -1.254
   69   3HD1  LEU   6          3HD1      LEU   6   2.027   0.089  -2.171
   70   1HD2  LEU   6          2HD2      LEU   6   3.366   1.564   1.547
   71   2HD2  LEU   6          1HD2      LEU   6   3.214   2.666   0.179
   72   3HD2  LEU   6          3HD2      LEU   6   1.781   1.888   0.846
   73    QB   LEU   6           QB       LEU   6   3.113  -0.779   1.059
   74    QD1  LEU   6           QD1      LEU   6   1.459   0.390  -1.381
   75    QD2  LEU   6           QD2      LEU   6   2.787   2.039   0.857
   76    QQD  LEU   6           QQD      LEU   6   2.123   1.215  -0.262
   77    H    ILE   7           H        ILE   7   4.959  -1.891  -2.760
   78    HA   ILE   7           HA       ILE   7   7.678  -1.005  -2.042
   79    HB   ILE   7           HB       ILE   7   6.327  -1.706  -4.680
   80   1HG1  ILE   7          2HG1      ILE   7   8.261  -3.387  -3.070
   81   2HG1  ILE   7          1HG1      ILE   7   6.514  -3.504  -2.853
   82   1HG2  ILE   7          3HG2      ILE   7   9.120  -0.940  -3.918
   83   2HG2  ILE   7          2HG2      ILE   7   8.903  -2.167  -5.168
   84   3HG2  ILE   7          1HG2      ILE   7   8.213  -0.557  -5.382
   85   1HD1  ILE   7          3HD1      ILE   7   6.429  -3.807  -5.430
   86   2HD1  ILE   7          2HD1      ILE   7   8.152  -4.161  -5.297
   87   3HD1  ILE   7          1HD1      ILE   7   6.976  -5.171  -4.454
   88    QG1  ILE   7           QG1      ILE   7   7.388  -3.446  -2.962
   89    QG2  ILE   7           QG2      ILE   7   8.746  -1.221  -4.822
   90    QD1  ILE   7           QD1      ILE   7   7.186  -4.380  -5.061
   91    H    ILE   8           H        ILE   8   8.107   1.178  -1.963
   92    HA   ILE   8           HA       ILE   8   6.165   3.042  -3.162
   93    HB   ILE   8           HB       ILE   8   8.702   3.776  -1.704
   94   1HG1  ILE   8          2HG1      ILE   8   7.374   2.038  -0.384
   95   2HG1  ILE   8          1HG1      ILE   8   7.592   3.578   0.426
   96   1HG2  ILE   8          1HG2      ILE   8   6.093   5.060  -2.414
   97   2HG2  ILE   8          3HG2      ILE   8   6.893   5.565  -0.921
   98   3HG2  ILE   8          2HG2      ILE   8   7.730   5.731  -2.465
   99   1HD1  ILE   8          3HD1      ILE   8   5.123   2.933  -1.190
  100   2HD1  ILE   8          2HD1      ILE   8   5.249   2.574   0.530
  101   3HD1  ILE   8          1HD1      ILE   8   5.346   4.245  -0.030
  102    QG1  ILE   8           QG1      ILE   8   7.483   2.808   0.021
  103    QG2  ILE   8           QG2      ILE   8   6.905   5.452  -1.933
  104    QD1  ILE   8           QD1      ILE   8   5.239   3.250  -0.230
  105    H    ASN   9           H        ASN   9   6.468   3.523  -5.309
  106    HA   ASN   9           HA       ASN   9   9.209   3.501  -6.460
  107   1HB   ASN   9          2HB       ASN   9   7.236   2.328  -7.497
  108   2HB   ASN   9          1HB       ASN   9   6.493   3.907  -7.753
  109   1HD2  ASN   9          2HD2      ASN   9   8.293   4.461 -10.718
  110   2HD2  ASN   9          1HD2      ASN   9   6.937   4.818  -9.762
  111    QB   ASN   9           QB       ASN   9   6.864   3.118  -7.625
  112    QD2  ASN   9           QD2      ASN   9   7.615   4.639 -10.240
  113    H    GLY  10           H        GLY  10  10.105   5.369  -7.467
  114   1HA   GLY  10          2HA       GLY  10   9.705   7.703  -8.309
  115   2HA   GLY  10          1HA       GLY  10   8.685   7.942  -6.890
  116    QA   GLY  10           QA       GLY  10   9.195   7.823  -7.600
  117    H    LYS  11           H        LYS  11   9.831   9.512  -5.792
  118    HA   LYS  11           HA       LYS  11  12.599   8.772  -4.909
  119   1HB   LYS  11          2HB       LYS  11  13.170  11.180  -5.179
  120   2HB   LYS  11          1HB       LYS  11  12.672  10.451  -6.705
  121   1HG   LYS  11          2HG       LYS  11  10.385  11.352  -6.380
  122   2HG   LYS  11          1HG       LYS  11  10.909  12.111  -4.877
  123   1HD   LYS  11          2HD       LYS  11  12.717  13.275  -6.273
  124   2HD   LYS  11          1HD       LYS  11  11.813  12.739  -7.690
  125   1HE   LYS  11          2HE       LYS  11   9.791  13.809  -6.207
  126   2HE   LYS  11          1HE       LYS  11  11.142  14.856  -5.728
  127   1HZ   LYS  11          3HZ       LYS  11  11.712  15.004  -8.135
  128   2HZ   LYS  11          2HZ       LYS  11  10.245  14.224  -8.488
  129   3HZ   LYS  11          1HZ       LYS  11  10.241  15.743  -7.729
  130    QB   LYS  11           QB       LYS  11  12.921  10.816  -5.942
  131    QG   LYS  11           QG       LYS  11  10.647  11.732  -5.628
  132    QD   LYS  11           QD       LYS  11  12.265  13.007  -6.981
  133    QE   LYS  11           QE       LYS  11  10.466  14.332  -5.968
  134    QZ   LYS  11           QZ       LYS  11  10.733  14.990  -8.117
  135    H    THR  12           H        THR  12  10.225   8.276  -3.421
  136    HA   THR  12           HA       THR  12  10.729   9.980  -1.038
  137    HB   THR  12           HB       THR  12   7.897   9.521  -1.939
  138    HG1  THR  12          1HG       THR  12   8.009  11.073  -3.379
  139   1HG2  THR  12          1HG2      THR  12   8.762  10.520   0.327
  140   2HG2  THR  12          3HG2      THR  12   9.028  11.976  -0.633
  141   3HG2  THR  12          2HG2      THR  12   7.409  11.291  -0.500
  142    QG2  THR  12           QG2      THR  12   8.400  11.262  -0.269
  143    H    LEU  13           H        LEU  13  10.230   8.897   0.890
  144    HA   LEU  13           HA       LEU  13   9.831   7.073   2.313
  145   1HB   LEU  13          2HB       LEU  13   7.805   6.949   0.168
  146   2HB   LEU  13          1HB       LEU  13   8.087   5.409   0.974
  147    HG   LEU  13           HG       LEU  13   7.417   8.031   2.333
  148   1HD1  LEU  13          1HD1      LEU  13   5.829   5.690   1.379
  149   2HD1  LEU  13          3HD1      LEU  13   5.411   6.328   2.971
  150   3HD1  LEU  13          2HD1      LEU  13   5.348   7.377   1.561
  151   1HD2  LEU  13          1HD2      LEU  13   8.247   5.326   3.325
  152   2HD2  LEU  13          3HD2      LEU  13   8.595   6.920   3.996
  153   3HD2  LEU  13          2HD2      LEU  13   7.008   6.189   4.236
  154    QB   LEU  13           QB       LEU  13   7.946   6.179   0.571
  155    QD1  LEU  13           QD1      LEU  13   5.529   6.465   1.970
  156    QD2  LEU  13           QD2      LEU  13   7.950   6.145   3.852
  157    QQD  LEU  13           QQD      LEU  13   6.740   6.305   2.911
  158    H    LYS  14           H        LYS  14   9.493   5.359  -0.798
  159    HA   LYS  14           HA       LYS  14  10.685   3.524  -1.678
  160   1HB   LYS  14          2HB       LYS  14  12.693   5.351  -0.415
  161   2HB   LYS  14          1HB       LYS  14  13.250   3.771  -0.964
  162   1HG   LYS  14          2HG       LYS  14  12.159   4.260  -3.192
  163   2HG   LYS  14          1HG       LYS  14  11.881   5.906  -2.620
  164   1HD   LYS  14          2HD       LYS  14  14.177   6.398  -2.528
  165   2HD   LYS  14          1HD       LYS  14  14.636   4.697  -2.501
  166   1HE   LYS  14          2HE       LYS  14  13.889   4.442  -4.842
  167   2HE   LYS  14          1HE       LYS  14  13.412   6.151  -4.875
  168   1HZ   LYS  14          3HZ       LYS  14  16.138   5.160  -4.218
  169   2HZ   LYS  14          2HZ       LYS  14  15.682   5.807  -5.722
  170   3HZ   LYS  14          1HZ       LYS  14  15.660   6.784  -4.331
  171    QB   LYS  14           QB       LYS  14  12.972   4.561  -0.690
  172    QG   LYS  14           QG       LYS  14  12.020   5.083  -2.906
  173    QD   LYS  14           QD       LYS  14  14.407   5.547  -2.514
  174    QE   LYS  14           QE       LYS  14  13.651   5.297  -4.858
  175    QZ   LYS  14           QZ       LYS  14  15.827   5.917  -4.757
  176    H    GLY  15           H        GLY  15   9.772   1.780  -0.544
  177   1HA   GLY  15          2HA       GLY  15  11.389   0.174   1.091
  178   2HA   GLY  15          1HA       GLY  15  10.400   1.134   2.194
  179    QA   GLY  15           QA       GLY  15  10.895   0.654   1.643
  180    H    GLU  16           H        GLU  16   9.762  -1.326   2.560
  181    HA   GLU  16           HA       GLU  16   7.538  -2.068   0.691
  182   1HB   GLU  16          2HB       GLU  16   9.600  -3.482   2.266
  183   2HB   GLU  16          1HB       GLU  16   8.000  -4.221   2.337
  184   1HG   GLU  16          2HG       GLU  16   8.074  -3.793  -0.291
  185   2HG   GLU  16          1HG       GLU  16   9.815  -3.850  -0.011
  186    QB   GLU  16           QB       GLU  16   8.800  -3.852   2.302
  187    QG   GLU  16           QG       GLU  16   8.945  -3.822  -0.151
  188    H    ILE  17           H        ILE  17   8.346  -2.148   4.194
  189    HA   ILE  17           HA       ILE  17   6.952  -1.961   6.095
  190    HB   ILE  17           HB       ILE  17   5.447  -0.243   4.093
  191   1HG1  ILE  17          2HG1      ILE  17   7.816   0.398   4.331
  192   2HG1  ILE  17          1HG1      ILE  17   6.769   1.610   5.063
  193   1HG2  ILE  17          1HG2      ILE  17   5.180  -0.679   7.034
  194   2HG2  ILE  17          3HG2      ILE  17   4.997   0.969   6.434
  195   3HG2  ILE  17          2HG2      ILE  17   3.941  -0.309   5.835
  196   1HD1  ILE  17          1HD1      ILE  17   7.135   0.335   7.277
  197   2HD1  ILE  17          3HD1      ILE  17   8.462  -0.475   6.446
  198   3HD1  ILE  17          2HD1      ILE  17   8.492   1.275   6.659
  199    QG1  ILE  17           QG1      ILE  17   7.293   1.004   4.697
  200    QG2  ILE  17           QG2      ILE  17   4.706  -0.006   6.435
  201    QD1  ILE  17           QD1      ILE  17   8.030   0.378   6.794
  202    H    THR  18           H        THR  18   6.286  -4.236   5.987
  203    HA   THR  18           HA       THR  18   3.882  -5.007   4.503
  204    HB   THR  18           HB       THR  18   4.287  -7.161   5.642
  205    HG1  THR  18          1HG       THR  18   5.276  -7.170   7.474
  206   1HG2  THR  18          1HG2      THR  18   6.013  -5.894   3.869
  207   2HG2  THR  18          3HG2      THR  18   7.086  -6.492   5.134
  208   3HG2  THR  18          2HG2      THR  18   6.027  -7.609   4.275
  209    QG2  THR  18           QG2      THR  18   6.375  -6.665   4.426
  210    H    ILE  19           H        ILE  19   1.801  -4.977   5.280
  211    HA   ILE  19           HA       ILE  19   1.367  -4.670   8.223
  212    HB   ILE  19           HB       ILE  19  -0.239  -2.843   7.750
  213   1HG1  ILE  19          2HG1      ILE  19   0.267  -1.891   5.262
  214   2HG1  ILE  19          1HG1      ILE  19   0.404  -3.622   4.952
  215   1HG2  ILE  19          1HG2      ILE  19   2.123  -2.309   8.250
  216   2HG2  ILE  19          3HG2      ILE  19   2.500  -2.388   6.529
  217   3HG2  ILE  19          2HG2      ILE  19   1.423  -1.132   7.139
  218   1HD1  ILE  19          2HD1      ILE  19  -1.837  -3.708   6.376
  219   2HD1  ILE  19          1HD1      ILE  19  -1.974  -2.032   5.839
  220   3HD1  ILE  19          3HD1      ILE  19  -1.877  -3.334   4.653
  221    QG1  ILE  19           QG1      ILE  19   0.335  -2.757   5.107
  222    QG2  ILE  19           QG2      ILE  19   2.015  -1.943   7.306
  223    QD1  ILE  19           QD1      ILE  19  -1.896  -3.024   5.623
  224    H    GLU  20           H        GLU  20  -0.377  -5.842   8.957
  225    HA   GLU  20           HA       GLU  20  -1.692  -7.711   7.139
  226   1HB   GLU  20          2HB       GLU  20  -0.941  -7.824   9.688
  227   2HB   GLU  20          1HB       GLU  20  -2.570  -7.202   9.960
  228   1HG   GLU  20          2HG       GLU  20  -3.583  -9.124   9.197
  229   2HG   GLU  20          1HG       GLU  20  -2.283  -9.483   8.060
  230    QB   GLU  20           QB       GLU  20  -1.756  -7.513   9.824
  231    QG   GLU  20           QG       GLU  20  -2.933  -9.303   8.629
  232    H    ALA  21           H        ALA  21  -4.001  -7.819   6.781
  233    HA   ALA  21           HA       ALA  21  -5.779  -5.672   7.653
  234   1HB   ALA  21          3HB       ALA  21  -4.332  -5.629   5.046
  235   2HB   ALA  21          2HB       ALA  21  -6.028  -5.147   5.021
  236   3HB   ALA  21          1HB       ALA  21  -4.882  -4.283   6.045
  237    QB   ALA  21           QB       ALA  21  -5.081  -5.020   5.371
  238    H    VAL  22           H        VAL  22  -7.975  -5.981   6.720
  239    HA   VAL  22           HA       VAL  22  -8.892  -8.639   6.704
  240    HB   VAL  22           HB       VAL  22 -10.256  -6.620   7.087
  241   1HG1  VAL  22          3HG1      VAL  22  -9.044  -5.386   5.144
  242   2HG1  VAL  22          2HG1      VAL  22 -10.264  -6.133   4.113
  243   3HG1  VAL  22          1HG1      VAL  22 -10.754  -5.045   5.411
  244   1HG2  VAL  22          3HG2      VAL  22 -11.022  -8.628   5.008
  245   2HG2  VAL  22          2HG2      VAL  22 -11.730  -8.329   6.593
  246   3HG2  VAL  22          1HG2      VAL  22 -12.093  -7.249   5.248
  247    QG1  VAL  22           QG1      VAL  22 -10.021  -5.521   4.889
  248    QG2  VAL  22           QG2      VAL  22 -11.615  -8.069   5.616
  249    QQG  VAL  22           QQG      VAL  22 -10.818  -6.795   5.253
  250    H    ASP  23           H        ASP  23  -7.954  -6.566   3.983
  251    HA   ASP  23           HA       ASP  23  -7.439  -8.896   2.277
  252   1HB   ASP  23          2HB       ASP  23  -9.864  -7.154   2.084
  253   2HB   ASP  23          1HB       ASP  23  -9.111  -7.666   0.574
  254    QB   ASP  23           QB       ASP  23  -9.487  -7.410   1.329
  255    H    ALA  24           H        ALA  24  -6.772  -7.978  -0.013
  256    HA   ALA  24           HA       ALA  24  -4.658  -6.093   0.322
  257   1HB   ALA  24          2HB       ALA  24  -5.304  -7.877  -1.543
  258   2HB   ALA  24          1HB       ALA  24  -6.024  -6.468  -2.322
  259   3HB   ALA  24          3HB       ALA  24  -4.300  -6.479  -1.943
  260    QB   ALA  24           QB       ALA  24  -5.209  -6.941  -1.936
  261    H    ALA  25           H        ALA  25  -8.063  -5.663  -0.468
  262    HA   ALA  25           HA       ALA  25  -8.041  -3.046  -1.540
  263   1HB   ALA  25          3HB       ALA  25  -9.919  -4.898  -0.224
  264   2HB   ALA  25          2HB       ALA  25 -10.358  -3.198  -0.067
  265   3HB   ALA  25          1HB       ALA  25 -10.148  -3.910  -1.667
  266    QB   ALA  25           QB       ALA  25 -10.142  -4.002  -0.653
  267    H    GLU  26           H        GLU  26  -8.433  -4.090   1.861
  268    HA   GLU  26           HA       GLU  26  -8.469  -1.459   3.016
  269   1HB   GLU  26          2HB       GLU  26  -9.209  -3.574   4.110
  270   2HB   GLU  26          1HB       GLU  26  -7.533  -4.122   4.150
  271   1HG   GLU  26          2HG       GLU  26  -7.581  -3.176   6.236
  272   2HG   GLU  26          1HG       GLU  26  -7.243  -1.702   5.326
  273    QB   GLU  26           QB       GLU  26  -8.371  -3.848   4.130
  274    QG   GLU  26           QG       GLU  26  -7.412  -2.439   5.781
  275    H    ALA  27           H        ALA  27  -5.833  -3.797   2.433
  276    HA   ALA  27           HA       ALA  27  -3.674  -2.358   3.603
  277   1HB   ALA  27          3HB       ALA  27  -4.104  -4.469   1.577
  278   2HB   ALA  27          2HB       ALA  27  -2.581  -3.592   1.401
  279   3HB   ALA  27          1HB       ALA  27  -2.957  -4.419   2.915
  280    QB   ALA  27           QB       ALA  27  -3.214  -4.160   1.964
  281    H    GLU  28           H        GLU  28  -4.956  -2.245   0.268
  282    HA   GLU  28           HA       GLU  28  -3.171  -0.280  -0.780
  283   1HB   GLU  28          2HB       GLU  28  -4.963  -1.819  -1.891
  284   2HB   GLU  28          1HB       GLU  28  -6.089  -0.514  -1.521
  285   1HG   GLU  28          2HG       GLU  28  -4.192   0.979  -2.640
  286   2HG   GLU  28          1HG       GLU  28  -3.788  -0.539  -3.442
  287    QB   GLU  28           QB       GLU  28  -5.526  -1.167  -1.706
  288    QG   GLU  28           QG       GLU  28  -3.990   0.220  -3.041
  289    H    LYS  29           H        LYS  29  -6.148   0.003   1.134
  290    HA   LYS  29           HA       LYS  29  -6.318   2.905   0.850
  291   1HB   LYS  29          2HB       LYS  29  -8.392   2.470   1.651
  292   2HB   LYS  29          1HB       LYS  29  -7.967   0.777   1.563
  293   1HG   LYS  29          2HG       LYS  29  -8.808   1.068   3.752
  294   2HG   LYS  29          1HG       LYS  29  -7.067   1.022   3.952
  295   1HD   LYS  29          2HD       LYS  29  -8.265   2.839   5.267
  296   2HD   LYS  29          1HD       LYS  29  -6.957   3.417   4.251
  297   1HE   LYS  29          2HE       LYS  29  -8.496   4.233   2.584
  298   2HE   LYS  29          1HE       LYS  29  -9.866   3.426   3.379
  299   1HZ   LYS  29          1HZ       LYS  29  -9.370   4.738   5.388
  300   2HZ   LYS  29          3HZ       LYS  29  -8.174   5.584   4.531
  301   3HZ   LYS  29          2HZ       LYS  29  -9.804   5.718   4.071
  302    QB   LYS  29           QB       LYS  29  -8.180   1.623   1.607
  303    QG   LYS  29           QG       LYS  29  -7.938   1.045   3.852
  304    QD   LYS  29           QD       LYS  29  -7.611   3.128   4.759
  305    QE   LYS  29           QE       LYS  29  -9.181   3.830   2.981
  306    QZ   LYS  29           QZ       LYS  29  -9.116   5.347   4.663
  307    H    ILE  30           H        ILE  30  -5.182   0.649   3.395
  308    HA   ILE  30           HA       ILE  30  -4.344   2.650   5.286
  309    HB   ILE  30           HB       ILE  30  -3.282  -0.142   4.693
  310   1HG1  ILE  30          2HG1      ILE  30  -5.242   0.647   6.852
  311   2HG1  ILE  30          1HG1      ILE  30  -5.790   0.202   5.237
  312   1HG2  ILE  30          3HG2      ILE  30  -3.056   1.607   7.162
  313   2HG2  ILE  30          2HG2      ILE  30  -2.559  -0.083   7.077
  314   3HG2  ILE  30          1HG2      ILE  30  -1.734   1.131   6.098
  315   1HD1  ILE  30          3HD1      ILE  30  -3.817  -1.646   6.450
  316   2HD1  ILE  30          2HD1      ILE  30  -5.395  -1.600   7.240
  317   3HD1  ILE  30          1HD1      ILE  30  -5.279  -2.003   5.527
  318    QG1  ILE  30           QG1      ILE  30  -5.516   0.425   6.044
  319    QG2  ILE  30           QG2      ILE  30  -2.450   0.885   6.779
  320    QD1  ILE  30           QD1      ILE  30  -4.830  -1.750   6.405
  321    H    PHE  31           H        PHE  31  -2.792   1.077   2.530
  322    HA   PHE  31           HA       PHE  31  -0.195   2.340   2.874
  323   1HB   PHE  31          2HB       PHE  31  -1.661   0.775   0.754
  324   2HB   PHE  31          1HB       PHE  31  -0.121   1.540   0.363
  325    HD1  PHE  31          1HD       PHE  31   1.494   1.263   2.735
  326    HD2  PHE  31          2HD       PHE  31  -1.333  -1.506   1.059
  327    HE1  PHE  31          1HE       PHE  31   2.696  -0.617   3.818
  328    HE2  PHE  31          2HE       PHE  31  -0.128  -3.387   2.142
  329   1HZ   PHE  31           HZ       PHE  31   1.885  -2.941   3.521
  330    QB   PHE  31           QB       PHE  31  -0.891   1.158   0.558
  331    QG   PHE  31           QD       PHE  31   0.081  -0.122   1.897
  332    QZ   PHE  31           QE       PHE  31   1.284  -2.002   2.980
  333    QZ   PHE  31           QR       PHE  31   0.923  -1.438   2.655
  334    H    LYS  32           H        LYS  32  -3.131   3.033   0.985
  335    HA   LYS  32           HA       LYS  32  -2.023   5.280  -0.437
  336   1HB   LYS  32          2HB       LYS  32  -4.740   4.107   0.023
  337   2HB   LYS  32          1HB       LYS  32  -4.585   5.674  -0.765
  338   1HG   LYS  32          2HG       LYS  32  -3.183   4.753  -2.499
  339   2HG   LYS  32          1HG       LYS  32  -3.093   3.199  -1.669
  340   1HD   LYS  32          2HD       LYS  32  -5.264   2.612  -2.245
  341   2HD   LYS  32          1HD       LYS  32  -5.795   4.289  -2.367
  342   1HE   LYS  32          2HE       LYS  32  -3.909   4.202  -4.354
  343   2HE   LYS  32          1HE       LYS  32  -4.574   2.559  -4.431
  344   1HZ   LYS  32          3HZ       LYS  32  -6.807   3.510  -4.407
  345   2HZ   LYS  32          2HZ       LYS  32  -6.154   5.078  -4.386
  346   3HZ   LYS  32          1HZ       LYS  32  -5.925   4.078  -5.739
  347    QB   LYS  32           QB       LYS  32  -4.663   4.891  -0.371
  348    QG   LYS  32           QG       LYS  32  -3.138   3.976  -2.084
  349    QD   LYS  32           QD       LYS  32  -5.530   3.450  -2.306
  350    QE   LYS  32           QE       LYS  32  -4.241   3.381  -4.393
  351    QZ   LYS  32           QZ       LYS  32  -6.295   4.222  -4.844
  352    H    GLN  33           H        GLN  33  -2.771   4.966   2.830
  353    HA   GLN  33           HA       GLN  33  -3.588   7.855   3.102
  354   1HB   GLN  33          2HB       GLN  33  -4.954   6.039   4.211
  355   2HB   GLN  33          1HB       GLN  33  -3.515   5.566   5.114
  356   1HG   GLN  33          2HG       GLN  33  -4.493   7.002   6.644
  357   2HG   GLN  33          1HG       GLN  33  -3.480   8.141   5.756
  358   1HE2  GLN  33          2HE2      GLN  33  -7.172   9.214   5.931
  359   2HE2  GLN  33          1HE2      GLN  33  -6.179   8.546   7.134
  360    QB   GLN  33           QB       GLN  33  -4.234   5.802   4.662
  361    QG   GLN  33           QG       GLN  33  -3.986   7.572   6.200
  362    QE2  GLN  33           QE2      GLN  33  -6.676   8.880   6.533
  363    H    TYR  34           H        TYR  34  -1.483   5.309   4.197
  364    HA   TYR  34           HA       TYR  34   0.459   6.581   5.771
  365   1HB   TYR  34          2HB       TYR  34   0.440   4.241   5.571
  366   2HB   TYR  34          1HB       TYR  34   0.185   4.302   3.822
  367    HD1  TYR  34          1HD       TYR  34   2.691   4.569   6.558
  368    HD2  TYR  34          2HD       TYR  34   2.085   4.441   2.307
  369    HE1  TYR  34          1HE       TYR  34   5.123   4.220   6.223
  370    HE2  TYR  34          2HE       TYR  34   4.517   4.093   1.972
  371    HH   TYR  34           HH       TYR  34   6.463   3.036   3.594
  372    QB   TYR  34           QB       TYR  34   0.313   4.271   4.696
  373    QG   TYR  34           QD       TYR  34   2.388   4.505   4.433
  374    QZ   TYR  34           QE       TYR  34   4.820   4.156   4.097
  375    QR   TYR  34           QR       TYR  34   3.604   4.331   4.265
  376    H    ALA  35           H        ALA  35   0.107   6.428   2.243
  377    HA   ALA  35           HA       ALA  35   2.604   7.661   1.470
  378   1HB   ALA  35          1HB       ALA  35  -0.115   7.168   0.278
  379   2HB   ALA  35          3HB       ALA  35   1.027   8.199  -0.583
  380   3HB   ALA  35          2HB       ALA  35   1.450   6.524  -0.220
  381    QB   ALA  35           QB       ALA  35   0.787   7.297  -0.175
  382    H    ASN  36           H        ASN  36  -0.691   8.996   1.913
  383    HA   ASN  36           HA       ASN  36  -0.134  11.704   1.253
  384   1HB   ASN  36          2HB       ASN  36  -2.122  10.278   3.010
  385   2HB   ASN  36          1HB       ASN  36  -2.146  12.036   2.869
  386   1HD2  ASN  36          2HD2      ASN  36  -3.250   9.747  -0.350
  387   2HD2  ASN  36          1HD2      ASN  36  -2.434   9.027   0.953
  388    QB   ASN  36           QB       ASN  36  -2.134  11.157   2.939
  389    QD2  ASN  36           QD2      ASN  36  -2.842   9.387   0.302
  390    H    ASP  37           H        ASP  37  -0.088  10.094   4.446
  391    HA   ASP  37           HA       ASP  37   0.637  12.355   6.006
  392   1HB   ASP  37          2HB       ASP  37  -0.096   9.901   6.585
  393   2HB   ASP  37          1HB       ASP  37   1.639   9.580   6.580
  394    QB   ASP  37           QB       ASP  37   0.772   9.741   6.582
  395    H    ASN  38           H        ASN  38   2.531  10.503   3.794
  396    HA   ASN  38           HA       ASN  38   5.055  11.582   4.871
  397   1HB   ASN  38          2HB       ASN  38   4.190   9.249   3.235
  398   2HB   ASN  38          1HB       ASN  38   5.813   9.878   2.947
  399   1HD2  ASN  38          2HD2      ASN  38   5.231   7.556   6.133
  400   2HD2  ASN  38          1HD2      ASN  38   4.159   7.655   4.820
  401    QB   ASN  38           QB       ASN  38   5.002   9.563   3.091
  402    QD2  ASN  38           QD2      ASN  38   4.695   7.606   5.477
  403    H    GLY  39           H        GLY  39   2.908  11.700   2.102
  404   1HA   GLY  39          2HA       GLY  39   2.919  13.740   0.705
  405   2HA   GLY  39          1HA       GLY  39   4.675  13.781   0.881
  406    QA   GLY  39           QA       GLY  39   3.797  13.760   0.793
  407    H    ILE  40           H        ILE  40   2.879  10.821   0.297
  408    HA   ILE  40           HA       ILE  40   4.368  10.455  -2.249
  409    HB   ILE  40           HB       ILE  40   3.112   8.801  -0.110
  410   1HG1  ILE  40          2HG1      ILE  40   5.230   7.507  -0.483
  411   2HG1  ILE  40          1HG1      ILE  40   5.662   8.699  -1.713
  412   1HG2  ILE  40          3HG2      ILE  40   2.063   7.948  -2.252
  413   2HG2  ILE  40          2HG2      ILE  40   3.694   7.582  -2.812
  414   3HG2  ILE  40          1HG2      ILE  40   3.048   6.777  -1.380
  415   1HD1  ILE  40          1HD1      ILE  40   4.924   9.434   1.121
  416   2HD1  ILE  40          3HD1      ILE  40   6.592   9.173   0.592
  417   3HD1  ILE  40          2HD1      ILE  40   5.633  10.480  -0.116
  418    QG1  ILE  40           QG1      ILE  40   5.446   8.103  -1.098
  419    QG2  ILE  40           QG2      ILE  40   2.935   7.436  -2.148
  420    QD1  ILE  40           QD1      ILE  40   5.717   9.695   0.532
  421    H    ASP  41           H        ASP  41   3.331  10.938  -4.093
  422    HA   ASP  41           HA       ASP  41   0.458  10.270  -4.429
  423   1HB   ASP  41          2HB       ASP  41  -0.042  12.609  -5.139
  424   2HB   ASP  41          1HB       ASP  41   0.462  12.516  -3.452
  425    QB   ASP  41           QB       ASP  41   0.210  12.562  -4.296
  426    H    GLY  42           H        GLY  42   0.691   9.002  -6.243
  427   1HA   GLY  42          2HA       GLY  42   1.434  10.246  -8.758
  428   2HA   GLY  42          1HA       GLY  42   2.626   9.056  -8.237
  429    QA   GLY  42           QA       GLY  42   2.030   9.651  -8.498
  430    H    GLU  43           H        GLU  43   2.232   6.954  -8.791
  431    HA   GLU  43           HA       GLU  43  -0.511   6.277  -9.810
  432   1HB   GLU  43          2HB       GLU  43   1.991   6.119 -10.962
  433   2HB   GLU  43          1HB       GLU  43   1.753   4.473 -10.380
  434   1HG   GLU  43          2HG       GLU  43  -0.609   5.656 -11.708
  435   2HG   GLU  43          1HG       GLU  43   0.784   5.421 -12.762
  436    QB   GLU  43           QB       GLU  43   1.872   5.296 -10.671
  437    QG   GLU  43           QG       GLU  43   0.087   5.538 -12.235
  438    H    TRP  44           H        TRP  44  -0.880   3.750  -9.589
  439    HA   TRP  44           HA       TRP  44   0.170   2.565  -7.056
  440   1HB   TRP  44          2HB       TRP  44  -2.617   3.613  -7.558
  441   2HB   TRP  44          1HB       TRP  44  -2.392   2.208  -6.512
  442    HD1  TRP  44           HD       TRP  44  -1.624   5.941  -6.721
  443    HE1  TRP  44          1HE       TRP  44  -0.897   6.749  -4.382
  444    HE3  TRP  44          3HE       TRP  44  -1.362   1.460  -4.316
  445    HZ2  TRP  44          2HZ       TRP  44  -0.278   5.630  -1.823
  446    HZ3  TRP  44          3HZ       TRP  44  -0.698   1.357  -1.921
  447    HH2  TRP  44           HH       TRP  44  -0.153   3.437  -0.683
  448    QB   TRP  44           QB       TRP  44  -2.505   2.910  -7.035
  449    H    THR  45           H        THR  45   0.320   0.372  -7.340
  450    HA   THR  45           HA       THR  45  -1.548  -0.986  -9.226
  451    HB   THR  45           HB       THR  45   0.208  -1.926 -10.525
  452    HG1  THR  45          1HG       THR  45   1.899  -2.479  -9.448
  453   1HG2  THR  45          3HG2      THR  45  -0.186   0.455 -11.038
  454   2HG2  THR  45          2HG2      THR  45   1.070   0.901  -9.881
  455   3HG2  THR  45          1HG2      THR  45   1.492   0.002 -11.340
  456    QG2  THR  45           QG2      THR  45   0.792   0.453 -10.753
  457    H    TYR  46           H        TYR  46  -2.174  -2.916  -8.404
  458    HA   TYR  46           HA       TYR  46  -0.848  -3.884  -5.919
  459   1HB   TYR  46          2HB       TYR  46  -3.220  -3.476  -5.785
  460   2HB   TYR  46          1HB       TYR  46  -3.520  -4.402  -7.260
  461    HD1  TYR  46          1HD       TYR  46  -1.674  -4.943  -4.029
  462    HD2  TYR  46          2HD       TYR  46  -4.453  -6.506  -6.905
  463    HE1  TYR  46          1HE       TYR  46  -1.888  -7.016  -2.692
  464    HE2  TYR  46          2HE       TYR  46  -4.667  -8.584  -5.567
  465    HH   TYR  46           HH       TYR  46  -4.354  -9.244  -3.145
  466    QB   TYR  46           QB       TYR  46  -3.370  -3.939  -6.523
  467    QG   TYR  46           QD       TYR  46  -3.063  -5.724  -5.467
  468    QZ   TYR  46           QE       TYR  46  -3.277  -7.800  -4.130
  469    QR   TYR  46           QR       TYR  46  -3.170  -6.762  -4.798
  470    H    ASP  47           H        ASP  47   0.166  -5.880  -5.852
  471    HA   ASP  47           HA       ASP  47   0.358  -7.405  -8.421
  472   1HB   ASP  47          2HB       ASP  47   2.150  -7.194  -5.977
  473   2HB   ASP  47          1HB       ASP  47   2.478  -8.246  -7.354
  474    QB   ASP  47           QB       ASP  47   2.314  -7.720  -6.666
  475    H    ASP  48           H        ASP  48  -1.348  -8.879  -8.240
  476    HA   ASP  48           HA       ASP  48  -2.118 -10.190  -5.785
  477   1HB   ASP  48          2HB       ASP  48  -3.497 -11.553  -7.345
  478   2HB   ASP  48          1HB       ASP  48  -3.619  -9.829  -7.690
  479    QB   ASP  48           QB       ASP  48  -3.558 -10.691  -7.518
  480    H    ALA  49           H        ALA  49   0.622 -10.682  -7.704
  481    HA   ALA  49           HA       ALA  49   0.780 -13.603  -7.292
  482   1HB   ALA  49          3HB       ALA  49   1.580 -11.964  -9.282
  483   2HB   ALA  49          2HB       ALA  49   3.052 -11.962  -8.310
  484   3HB   ALA  49          1HB       ALA  49   2.406 -13.482  -8.928
  485    QB   ALA  49           QB       ALA  49   2.346 -12.469  -8.840
  486    H    THR  50           H        THR  50   2.024 -10.591  -5.964
  487    HA   THR  50           HA       THR  50   3.558 -12.173  -3.929
  488    HB   THR  50           HB       THR  50   5.147 -10.254  -3.955
  489    HG1  THR  50          1HG       THR  50   4.870  -8.739  -5.658
  490   1HG2  THR  50          2HG2      THR  50   5.178 -12.309  -5.589
  491   2HG2  THR  50          1HG2      THR  50   4.794 -11.097  -6.811
  492   3HG2  THR  50          3HG2      THR  50   6.277 -10.957  -5.867
  493    QG2  THR  50           QG2      THR  50   5.416 -11.454  -6.089
  494    H    LYS  51           H        LYS  51   0.806 -10.411  -4.322
  495    HA   LYS  51           HA       LYS  51  -0.547  -9.125  -2.879
  496   1HB   LYS  51          2HB       LYS  51   1.334 -10.375  -0.844
  497   2HB   LYS  51          1HB       LYS  51  -0.254  -9.696  -0.493
  498   1HG   LYS  51          2HG       LYS  51   0.203 -11.984  -2.425
  499   2HG   LYS  51          1HG       LYS  51  -0.245 -12.203  -0.734
  500   1HD   LYS  51          2HD       LYS  51  -2.307 -10.933  -1.081
  501   2HD   LYS  51          1HD       LYS  51  -1.853 -10.614  -2.756
  502   1HE   LYS  51          2HE       LYS  51  -3.407 -12.488  -2.749
  503   2HE   LYS  51          1HE       LYS  51  -1.795 -13.132  -3.114
  504   1HZ   LYS  51          2HZ       LYS  51  -2.867 -12.918  -0.357
  505   2HZ   LYS  51          1HZ       LYS  51  -3.025 -14.324  -1.298
  506   3HZ   LYS  51          3HZ       LYS  51  -1.483 -13.761  -0.871
  507    QB   LYS  51           QB       LYS  51   0.540 -10.036  -0.668
  508    QG   LYS  51           QG       LYS  51  -0.021 -12.094  -1.580
  509    QD   LYS  51           QD       LYS  51  -2.080 -10.774  -1.918
  510    QE   LYS  51           QE       LYS  51  -2.601 -12.810  -2.932
  511    QZ   LYS  51           QZ       LYS  51  -2.458 -13.668  -0.842
  512    H    THR  52           H        THR  52   1.700  -7.785  -4.079
  513    HA   THR  52           HA       THR  52   2.385  -5.816  -1.906
  514    HB   THR  52           HB       THR  52   4.050  -6.434  -4.351
  515    HG1  THR  52          1HG       THR  52   5.105  -7.962  -3.147
  516   1HG2  THR  52          1HG2      THR  52   4.466  -5.074  -1.700
  517   2HG2  THR  52          3HG2      THR  52   5.837  -5.726  -2.596
  518   3HG2  THR  52          2HG2      THR  52   4.825  -4.474  -3.319
  519    QG2  THR  52           QG2      THR  52   5.043  -5.091  -2.538
  520    H    PHE  53           H        PHE  53   2.068  -3.641  -2.424
  521    HA   PHE  53           HA       PHE  53   0.662  -3.076  -4.978
  522   1HB   PHE  53          2HB       PHE  53   1.044  -1.640  -2.347
  523   2HB   PHE  53          1HB       PHE  53   0.242  -0.879  -3.722
  524    HD1  PHE  53          1HD       PHE  53   0.083  -3.707  -1.320
  525    HD2  PHE  53          2HD       PHE  53  -1.991  -1.511  -4.382
  526    HE1  PHE  53          1HE       PHE  53  -2.031  -4.871  -0.726
  527    HE2  PHE  53          2HE       PHE  53  -4.091  -2.677  -3.787
  528   1HZ   PHE  53           HZ       PHE  53  -4.113  -4.356  -1.965
  529    QB   PHE  53           QB       PHE  53   0.643  -1.259  -3.034
  530    QG   PHE  53           QD       PHE  53  -0.954  -2.609  -2.851
  531    QZ   PHE  53           QE       PHE  53  -3.061  -3.774  -2.257
  532    QZ   PHE  53           QR       PHE  53  -2.429  -3.424  -2.436
  533    H    THR  54           H        THR  54   1.312  -0.435  -5.529
  534    HA   THR  54           HA       THR  54   4.230  -0.056  -5.396
  535    HB   THR  54           HB       THR  54   3.041  -0.131  -8.148
  536    HG1  THR  54          1HG       THR  54   3.974  -2.435  -6.784
  537   1HG2  THR  54          2HG2      THR  54   5.730  -0.627  -6.878
  538   2HG2  THR  54          1HG2      THR  54   5.401  -1.082  -8.550
  539   3HG2  THR  54          3HG2      THR  54   5.283   0.607  -8.056
  540    QG2  THR  54           QG2      THR  54   5.472  -0.367  -7.828
  541    H    VAL  55           H        VAL  55   3.656   1.902  -4.419
  542    HA   VAL  55           HA       VAL  55   1.851   3.721  -5.877
  543    HB   VAL  55           HB       VAL  55   1.418   3.510  -3.542
  544   1HG1  VAL  55          1HG1      VAL  55   4.377   4.027  -3.169
  545   2HG1  VAL  55          3HG1      VAL  55   3.208   4.173  -1.857
  546   3HG1  VAL  55          2HG1      VAL  55   3.436   2.620  -2.659
  547   1HG2  VAL  55          2HG2      VAL  55   1.281   5.811  -4.461
  548   2HG2  VAL  55          1HG2      VAL  55   1.680   5.803  -2.743
  549   3HG2  VAL  55          3HG2      VAL  55   2.940   6.098  -3.940
  550    QG1  VAL  55           QG1      VAL  55   3.674   3.607  -2.562
  551    QG2  VAL  55           QG2      VAL  55   1.967   5.904  -3.714
  552    QQG  VAL  55           QQG      VAL  55   2.820   4.755  -3.138
  553    H    THR  56           H        THR  56   2.817   4.747  -7.514
  554    HA   THR  56           HA       THR  56   5.619   5.655  -7.367
  555    HB   THR  56           HB       THR  56   3.390   5.446  -9.382
  556    HG1  THR  56          1HG       THR  56   4.703   4.018 -10.212
  557   1HG2  THR  56          1HG2      THR  56   5.897   7.107  -9.779
  558   2HG2  THR  56          3HG2      THR  56   4.817   6.594 -11.077
  559   3HG2  THR  56          2HG2      THR  56   4.230   7.688  -9.823
  560    QG2  THR  56           QG2      THR  56   4.981   7.130 -10.226
  561    H    GLU  57           H        GLU  57   5.968   8.055  -8.043
  562    HA   GLU  57           HA       GLU  57   3.895   9.798  -6.749
  563   1HB   GLU  57          2HB       GLU  57   5.940   9.376  -5.380
  564   2HB   GLU  57          1HB       GLU  57   6.922  10.041  -6.686
  565   1HG   GLU  57          2HG       GLU  57   4.648  11.693  -5.672
  566   2HG   GLU  57          1HG       GLU  57   6.093  11.572  -4.667
  567    QB   GLU  57           QB       GLU  57   6.431   9.708  -6.033
  568    QG   GLU  57           QG       GLU  57   5.371  11.633  -5.170
   
  No H/Q in entry =         568
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1  -3.326 -15.620   6.809
    2   2H    MET   1          3HT       MET   1  -2.945 -15.765   8.455
    3   3H    MET   1          2HT       MET   1  -3.689 -14.351   7.878
    4    HA   MET   1           HA       MET   1  -1.355 -13.906   8.238
    5   1HB   MET   1          2HB       MET   1  -0.785 -16.331   8.099
    6   2HB   MET   1          1HB       MET   1  -1.013 -16.259   6.351
    7   1HG   MET   1          2HG       MET   1   0.701 -14.263   6.508
    8   2HG   MET   1          1HG       MET   1   1.151 -15.031   8.030
    9   1HE   MET   1          1HE       MET   1   2.914 -16.184   8.190
   10   2HE   MET   1          3HE       MET   1   2.074 -17.740   8.113
   11   3HE   MET   1          2HE       MET   1   3.555 -17.487   7.193
   12    QB   MET   1           QB       MET   1  -0.899 -16.295   7.225
   13    QG   MET   1           QG       MET   1   0.926 -14.647   7.269
   14    QE   MET   1           QE       MET   1   2.848 -17.137   7.832
   15    H    THR   2           H        THR   2  -2.232 -12.031   7.128
   16    HA   THR   2           HA       THR   2  -2.136 -12.110   4.143
   17    HB   THR   2           HB       THR   2  -3.328 -10.126   6.110
   18    HG1  THR   2          1HG       THR   2  -4.491 -11.991   6.141
   19   1HG2  THR   2          2HG2      THR   2  -3.013 -10.172   3.158
   20   2HG2  THR   2          1HG2      THR   2  -4.592  -9.678   3.767
   21   3HG2  THR   2          3HG2      THR   2  -3.145  -8.794   4.252
   22    QG2  THR   2           QG2      THR   2  -3.583  -9.548   3.726
   23    H    THR   3           H        THR   3  -1.547  -9.425   6.438
   24    HA   THR   3           HA       THR   3   0.171  -7.803   6.468
   25    HB   THR   3           HB       THR   3   1.903 -10.139   5.647
   26    HG1  THR   3          1HG       THR   3   0.731  -9.581   8.169
   27   1HG2  THR   3          2HG2      THR   3   2.521  -7.547   6.367
   28   2HG2  THR   3          1HG2      THR   3   2.653  -8.409   7.902
   29   3HG2  THR   3          3HG2      THR   3   3.611  -8.928   6.516
   30    QG2  THR   3           QG2      THR   3   2.928  -8.295   6.928
   31    H    PHE   4           H        PHE   4  -0.794  -6.856   4.427
   32    HA   PHE   4           HA       PHE   4   0.380  -7.521   1.842
   33   1HB   PHE   4          2HB       PHE   4  -1.501  -5.523   3.020
   34   2HB   PHE   4          1HB       PHE   4  -0.774  -5.127   1.460
   35    HD1  PHE   4          1HD       PHE   4  -0.916  -6.865  -0.414
   36    HD2  PHE   4          2HD       PHE   4  -3.283  -7.070   3.161
   37    HE1  PHE   4          1HE       PHE   4  -2.477  -8.427  -1.540
   38    HE2  PHE   4          2HE       PHE   4  -4.846  -8.629   2.032
   39   1HZ   PHE   4           HZ       PHE   4  -4.445  -9.307  -0.317
   40    QB   PHE   4           QB       PHE   4  -1.138  -5.325   2.240
   41    QG   PHE   4           QD       PHE   4  -2.099  -6.967   1.373
   42    QZ   PHE   4           QE       PHE   4  -3.662  -8.528   0.246
   43    QZ   PHE   4           QR       PHE   4  -3.193  -8.060   0.584
   44    H    LYS   5           H        LYS   5   2.028  -6.396   0.753
   45    HA   LYS   5           HA       LYS   5   3.675  -4.570   2.462
   46   1HB   LYS   5          2HB       LYS   5   4.354  -6.156  -0.045
   47   2HB   LYS   5          1HB       LYS   5   5.503  -5.280   0.963
   48   1HG   LYS   5          2HG       LYS   5   4.559  -6.771   2.895
   49   2HG   LYS   5          1HG       LYS   5   3.986  -7.803   1.587
   50   1HD   LYS   5          2HD       LYS   5   6.514  -7.398   0.739
   51   2HD   LYS   5          1HD       LYS   5   6.769  -7.251   2.479
   52   1HE   LYS   5          2HE       LYS   5   5.655  -9.446   2.822
   53   2HE   LYS   5          1HE       LYS   5   5.454  -9.601   1.064
   54   1HZ   LYS   5          2HZ       LYS   5   8.061  -9.126   2.408
   55   2HZ   LYS   5          1HZ       LYS   5   7.515 -10.658   1.917
   56   3HZ   LYS   5          3HZ       LYS   5   7.805  -9.452   0.761
   57    QB   LYS   5           QB       LYS   5   4.928  -5.718   0.459
   58    QG   LYS   5           QG       LYS   5   4.272  -7.287   2.241
   59    QD   LYS   5           QD       LYS   5   6.642  -7.325   1.609
   60    QE   LYS   5           QE       LYS   5   5.554  -9.523   1.943
   61    QZ   LYS   5           QZ       LYS   5   7.794  -9.745   1.695
   62    H    LEU   6           H        LEU   6   5.099  -3.128   0.709
   63    HA   LEU   6           HA       LEU   6   3.461  -2.083  -1.502
   64   1HB   LEU   6          2HB       LEU   6   2.392  -1.077   0.447
   65   2HB   LEU   6          1HB       LEU   6   3.949  -0.546   1.074
   66    HG   LEU   6           HG       LEU   6   4.174   0.778  -1.138
   67   1HD1  LEU   6          3HD1      LEU   6   1.257  -0.007  -1.160
   68   2HD1  LEU   6          2HD1      LEU   6   1.840   1.436  -1.991
   69   3HD1  LEU   6          1HD1      LEU   6   2.436  -0.156  -2.463
   70   1HD2  LEU   6          1HD2      LEU   6   3.381   1.515   1.309
   71   2HD2  LEU   6          3HD2      LEU   6   3.360   2.644  -0.046
   72   3HD2  LEU   6          2HD2      LEU   6   1.874   1.834   0.449
   73    QB   LEU   6           QB       LEU   6   3.171  -0.812   0.761
   74    QD1  LEU   6           QD1      LEU   6   1.844   0.424  -1.871
   75    QD2  LEU   6           QD2      LEU   6   2.872   1.998   0.571
   76    QQD  LEU   6           QQD      LEU   6   2.358   1.211  -0.650
   77    H    ILE   7           H        ILE   7   5.235  -2.213  -2.910
   78    HA   ILE   7           HA       ILE   7   7.887  -1.231  -2.090
   79    HB   ILE   7           HB       ILE   7   6.761  -2.228  -4.734
   80   1HG1  ILE   7          2HG1      ILE   7   8.681  -3.768  -3.033
   81   2HG1  ILE   7          1HG1      ILE   7   6.987  -3.731  -2.540
   82   1HG2  ILE   7          3HG2      ILE   7   9.428  -1.223  -3.864
   83   2HG2  ILE   7          2HG2      ILE   7   9.425  -2.672  -4.876
   84   3HG2  ILE   7          1HG2      ILE   7   8.674  -1.185  -5.461
   85   1HD1  ILE   7          1HD1      ILE   7   6.487  -4.334  -5.020
   86   2HD1  ILE   7          3HD1      ILE   7   8.184  -4.811  -5.085
   87   3HD1  ILE   7          2HD1      ILE   7   7.086  -5.606  -3.957
   88    QG1  ILE   7           QG1      ILE   7   7.834  -3.749  -2.787
   89    QG2  ILE   7           QG2      ILE   7   9.176  -1.693  -4.733
   90    QD1  ILE   7           QD1      ILE   7   7.252  -4.917  -4.687
   91    H    ILE   8           H        ILE   8   8.604   0.820  -2.525
   92    HA   ILE   8           HA       ILE   8   6.709   2.602  -3.967
   93    HB   ILE   8           HB       ILE   8   9.145   3.484  -2.461
   94   1HG1  ILE   8          2HG1      ILE   8   7.927   1.886  -0.992
   95   2HG1  ILE   8          1HG1      ILE   8   7.848   3.523  -0.376
   96   1HG2  ILE   8          2HG2      ILE   8   7.749   5.075  -3.811
   97   2HG2  ILE   8          1HG2      ILE   8   6.396   4.719  -2.733
   98   3HG2  ILE   8          3HG2      ILE   8   7.854   5.490  -2.101
   99   1HD1  ILE   8          1HD1      ILE   8   5.680   2.344  -2.117
  100   2HD1  ILE   8          3HD1      ILE   8   5.659   2.201  -0.360
  101   3HD1  ILE   8          2HD1      ILE   8   5.594   3.793  -1.117
  102    QG1  ILE   8           QG1      ILE   8   7.888   2.704  -0.684
  103    QG2  ILE   8           QG2      ILE   8   7.333   5.095  -2.882
  104    QD1  ILE   8           QD1      ILE   8   5.644   2.779  -1.198
  105    H    ASN   9           H        ASN   9   7.213   3.027  -6.104
  106    HA   ASN   9           HA       ASN   9   9.726   2.320  -7.311
  107   1HB   ASN   9          2HB       ASN   9   7.670   4.277  -8.350
  108   2HB   ASN   9          1HB       ASN   9   8.772   3.292  -9.302
  109   1HD2  ASN   9          2HD2      ASN   9   5.242   1.776  -8.936
  110   2HD2  ASN   9          1HD2      ASN   9   5.696   3.396  -9.176
  111    QB   ASN   9           QB       ASN   9   8.221   3.785  -8.826
  112    QD2  ASN   9           QD2      ASN   9   5.469   2.586  -9.056
  113    H    GLY  10           H        GLY  10   8.283   5.464  -6.617
  114   1HA   GLY  10          2HA       GLY  10  10.517   7.054  -7.398
  115   2HA   GLY  10          1HA       GLY  10   9.236   7.587  -6.310
  116    QA   GLY  10           QA       GLY  10   9.876   7.320  -6.854
  117    H    LYS  11           H        LYS  11  10.873   8.676  -5.029
  118    HA   LYS  11           HA       LYS  11  12.354   6.793  -3.230
  119   1HB   LYS  11          2HB       LYS  11  14.223   8.419  -3.282
  120   2HB   LYS  11          1HB       LYS  11  13.853   7.811  -4.895
  121   1HG   LYS  11          2HG       LYS  11  12.194  10.067  -4.565
  122   2HG   LYS  11          1HG       LYS  11  13.754  10.540  -3.897
  123   1HD   LYS  11          2HD       LYS  11  13.928  11.075  -6.194
  124   2HD   LYS  11          1HD       LYS  11  14.771   9.533  -6.047
  125   1HE   LYS  11          2HE       LYS  11  13.134   8.375  -7.193
  126   2HE   LYS  11          1HE       LYS  11  11.835   9.436  -6.616
  127   1HZ   LYS  11          1HZ       LYS  11  13.965  10.230  -8.532
  128   2HZ   LYS  11          3HZ       LYS  11  12.369   9.848  -8.962
  129   3HZ   LYS  11          2HZ       LYS  11  12.684  11.209  -7.996
  130    QB   LYS  11           QB       LYS  11  14.038   8.115  -4.089
  131    QG   LYS  11           QG       LYS  11  12.974  10.303  -4.231
  132    QD   LYS  11           QD       LYS  11  14.349  10.304  -6.121
  133    QE   LYS  11           QE       LYS  11  12.485   8.905  -6.905
  134    QZ   LYS  11           QZ       LYS  11  13.006  10.429  -8.496
  135    H    THR  12           H        THR  12   9.790   8.696  -3.155
  136    HA   THR  12           HA       THR  12  10.252  10.737  -1.210
  137    HB   THR  12           HB       THR  12   7.801  10.525  -0.858
  138    HG1  THR  12          1HG       THR  12   7.947   8.286  -2.582
  139   1HG2  THR  12          3HG2      THR  12   9.043  11.344  -3.093
  140   2HG2  THR  12          2HG2      THR  12   8.100  10.019  -3.775
  141   3HG2  THR  12          1HG2      THR  12   7.285  11.341  -2.939
  142    QG2  THR  12           QG2      THR  12   8.143  10.901  -3.269
  143    H    LEU  13           H        LEU  13   8.592   7.641  -0.548
  144    HA   LEU  13           HA       LEU  13  10.078   7.501   2.048
  145   1HB   LEU  13          2HB       LEU  13   7.906   6.405   2.892
  146   2HB   LEU  13          1HB       LEU  13   7.836   8.134   2.572
  147    HG   LEU  13           HG       LEU  13   6.829   7.641   0.345
  148   1HD1  LEU  13          1HD1      LEU  13   6.951   4.819   1.407
  149   2HD1  LEU  13          3HD1      LEU  13   5.786   5.305   0.176
  150   3HD1  LEU  13          2HD1      LEU  13   7.513   5.427  -0.149
  151   1HD2  LEU  13          1HD2      LEU  13   5.408   6.483   2.762
  152   2HD2  LEU  13          3HD2      LEU  13   5.445   8.186   2.315
  153   3HD2  LEU  13          2HD2      LEU  13   4.614   7.020   1.284
  154    QB   LEU  13           QB       LEU  13   7.871   7.270   2.732
  155    QD1  LEU  13           QD1      LEU  13   6.750   5.184   0.478
  156    QD2  LEU  13           QD2      LEU  13   5.155   7.230   2.120
  157    QQD  LEU  13           QQD      LEU  13   5.953   6.207   1.299
  158    H    LYS  14           H        LYS  14  11.025   6.378  -0.292
  159    HA   LYS  14           HA       LYS  14  10.540   3.932  -1.296
  160   1HB   LYS  14          2HB       LYS  14  12.991   3.604  -1.326
  161   2HB   LYS  14          1HB       LYS  14  12.543   5.268  -1.695
  162   1HG   LYS  14          2HG       LYS  14  12.890   5.793   0.767
  163   2HG   LYS  14          1HG       LYS  14  13.598   4.186   0.929
  164   1HD   LYS  14          2HD       LYS  14  14.565   6.252  -1.064
  165   2HD   LYS  14          1HD       LYS  14  15.289   6.013   0.527
  166   1HE   LYS  14          2HE       LYS  14  15.800   3.664  -0.039
  167   2HE   LYS  14          1HE       LYS  14  15.059   3.888  -1.636
  168   1HZ   LYS  14          1HZ       LYS  14  16.599   5.749  -2.010
  169   2HZ   LYS  14          3HZ       LYS  14  17.359   5.413  -0.532
  170   3HZ   LYS  14          2HZ       LYS  14  17.420   4.278  -1.794
  171    QB   LYS  14           QB       LYS  14  12.767   4.436  -1.511
  172    QG   LYS  14           QG       LYS  14  13.244   4.989   0.848
  173    QD   LYS  14           QD       LYS  14  14.927   6.132  -0.269
  174    QE   LYS  14           QE       LYS  14  15.430   3.776  -0.837
  175    QZ   LYS  14           QZ       LYS  14  17.126   5.147  -1.445
  176    H    GLY  15           H        GLY  15  10.385   1.787  -0.702
  177   1HA   GLY  15          2HA       GLY  15  11.635   0.281   1.150
  178   2HA   GLY  15          1HA       GLY  15  10.538   1.184   2.190
  179    QA   GLY  15           QA       GLY  15  11.086   0.733   1.670
  180    H    GLU  16           H        GLU  16   9.906  -1.179   2.546
  181    HA   GLU  16           HA       GLU  16   7.561  -1.837   0.809
  182   1HB   GLU  16          2HB       GLU  16  10.054  -3.356   1.369
  183   2HB   GLU  16          1HB       GLU  16   8.557  -4.287   1.444
  184   1HG   GLU  16          2HG       GLU  16   7.948  -3.498  -0.811
  185   2HG   GLU  16          1HG       GLU  16   9.443  -2.566  -0.890
  186    QB   GLU  16           QB       GLU  16   9.306  -3.821   1.406
  187    QG   GLU  16           QG       GLU  16   8.696  -3.032  -0.851
  188    H    ILE  17           H        ILE  17   7.406  -0.521   3.283
  189    HA   ILE  17           HA       ILE  17   7.299  -2.012   5.655
  190    HB   ILE  17           HB       ILE  17   6.975   0.422   5.427
  191   1HG1  ILE  17          2HG1      ILE  17   4.850   0.561   6.919
  192   2HG1  ILE  17          1HG1      ILE  17   4.842  -1.200   6.815
  193   1HG2  ILE  17          2HG2      ILE  17   5.192  -0.225   3.434
  194   2HG2  ILE  17          1HG2      ILE  17   4.113   0.233   4.751
  195   3HG2  ILE  17          3HG2      ILE  17   5.335   1.367   4.178
  196   1HD1  ILE  17          2HD1      ILE  17   7.351  -1.017   7.495
  197   2HD1  ILE  17          1HD1      ILE  17   6.921   0.607   8.032
  198   3HD1  ILE  17          3HD1      ILE  17   6.125  -0.797   8.742
  199    QG1  ILE  17           QG1      ILE  17   4.846  -0.319   6.867
  200    QG2  ILE  17           QG2      ILE  17   4.880   0.458   4.121
  201    QD1  ILE  17           QD1      ILE  17   6.799  -0.403   8.090
  202    H    THR  18           H        THR  18   6.291  -3.937   5.996
  203    HA   THR  18           HA       THR  18   3.944  -4.767   4.429
  204    HB   THR  18           HB       THR  18   4.281  -6.862   5.696
  205    HG1  THR  18          1HG       THR  18   4.832  -6.173   7.687
  206   1HG2  THR  18          3HG2      THR  18   6.011  -5.796   3.866
  207   2HG2  THR  18          2HG2      THR  18   7.101  -6.139   5.209
  208   3HG2  THR  18          1HG2      THR  18   6.133  -7.435   4.508
  209    QG2  THR  18           QG2      THR  18   6.415  -6.457   4.528
  210    H    ILE  19           H        ILE  19   1.834  -5.013   5.273
  211    HA   ILE  19           HA       ILE  19   1.374  -4.261   8.126
  212    HB   ILE  19           HB       ILE  19  -0.346  -2.633   7.418
  213   1HG1  ILE  19          2HG1      ILE  19   0.062  -2.042   4.801
  214   2HG1  ILE  19          1HG1      ILE  19   0.314  -3.787   4.758
  215   1HG2  ILE  19          2HG2      ILE  19   2.095  -1.998   7.717
  216   2HG2  ILE  19          1HG2      ILE  19   2.248  -2.074   5.961
  217   3HG2  ILE  19          3HG2      ILE  19   1.155  -0.904   6.703
  218   1HD1  ILE  19          1HD1      ILE  19  -1.897  -3.791   6.239
  219   2HD1  ILE  19          3HD1      ILE  19  -2.158  -2.244   5.435
  220   3HD1  ILE  19          2HD1      ILE  19  -1.985  -3.716   4.480
  221    QG1  ILE  19           QG1      ILE  19   0.188  -2.915   4.780
  222    QG2  ILE  19           QG2      ILE  19   1.833  -1.659   6.794
  223    QD1  ILE  19           QD1      ILE  19  -2.013  -3.250   5.385
  224    H    GLU  20           H        GLU  20  -0.222  -5.481   9.050
  225    HA   GLU  20           HA       GLU  20  -1.485  -7.630   7.531
  226   1HB   GLU  20          2HB       GLU  20  -0.656  -7.708   9.915
  227   2HB   GLU  20          1HB       GLU  20  -1.995  -6.647  10.356
  228   1HG   GLU  20          2HG       GLU  20  -3.604  -8.310   9.509
  229   2HG   GLU  20          1HG       GLU  20  -2.271  -9.373   9.056
  230    QB   GLU  20           QB       GLU  20  -1.325  -7.177  10.135
  231    QG   GLU  20           QG       GLU  20  -2.937  -8.842   9.283
  232    H    ALA  21           H        ALA  21  -3.584  -7.689   6.764
  233    HA   ALA  21           HA       ALA  21  -5.573  -5.684   7.643
  234   1HB   ALA  21          3HB       ALA  21  -4.150  -5.737   4.998
  235   2HB   ALA  21          2HB       ALA  21  -5.830  -5.201   5.050
  236   3HB   ALA  21          1HB       ALA  21  -4.605  -4.350   5.990
  237    QB   ALA  21           QB       ALA  21  -4.862  -5.096   5.346
  238    H    VAL  22           H        VAL  22  -7.731  -6.234   6.863
  239    HA   VAL  22           HA       VAL  22  -8.420  -8.952   6.861
  240    HB   VAL  22           HB       VAL  22  -9.949  -7.069   7.287
  241   1HG1  VAL  22          3HG1      VAL  22  -8.909  -5.704   5.348
  242   2HG1  VAL  22          2HG1      VAL  22 -10.040  -6.574   4.311
  243   3HG1  VAL  22          1HG1      VAL  22 -10.646  -5.551   5.614
  244   1HG2  VAL  22          2HG2      VAL  22 -10.679  -9.387   6.251
  245   2HG2  VAL  22          1HG2      VAL  22 -11.855  -8.080   6.404
  246   3HG2  VAL  22          3HG2      VAL  22 -11.089  -8.400   4.848
  247    QG1  VAL  22           QG1      VAL  22  -9.865  -5.943   5.091
  248    QG2  VAL  22           QG2      VAL  22 -11.208  -8.622   5.834
  249    QQG  VAL  22           QQG      VAL  22 -10.536  -7.283   5.463
  250    H    ASP  23           H        ASP  23  -7.782  -6.814   4.095
  251    HA   ASP  23           HA       ASP  23  -7.141  -9.118   2.381
  252   1HB   ASP  23          2HB       ASP  23  -9.664  -7.499   2.223
  253   2HB   ASP  23          1HB       ASP  23  -8.933  -8.064   0.720
  254    QB   ASP  23           QB       ASP  23  -9.298  -7.781   1.471
  255    H    ALA  24           H        ALA  24  -6.758  -8.100   0.017
  256    HA   ALA  24           HA       ALA  24  -4.698  -6.122   0.280
  257   1HB   ALA  24          3HB       ALA  24  -5.410  -7.938  -1.577
  258   2HB   ALA  24          2HB       ALA  24  -6.117  -6.502  -2.318
  259   3HB   ALA  24          1HB       ALA  24  -4.389  -6.552  -1.964
  260    QB   ALA  24           QB       ALA  24  -5.305  -6.997  -1.953
  261    H    ALA  25           H        ALA  25  -8.155  -5.909  -0.358
  262    HA   ALA  25           HA       ALA  25  -8.376  -3.312  -1.435
  263   1HB   ALA  25          2HB       ALA  25 -10.035  -5.239   0.072
  264   2HB   ALA  25          1HB       ALA  25 -10.572  -3.563   0.182
  265   3HB   ALA  25          3HB       ALA  25 -10.419  -4.337  -1.395
  266    QB   ALA  25           QB       ALA  25 -10.342  -4.380  -0.380
  267    H    GLU  26           H        GLU  26  -8.473  -4.307   2.000
  268    HA   GLU  26           HA       GLU  26  -8.542  -1.625   3.068
  269   1HB   GLU  26          2HB       GLU  26  -8.283  -4.414   3.979
  270   2HB   GLU  26          1HB       GLU  26  -7.411  -3.270   4.999
  271   1HG   GLU  26          2HG       GLU  26 -10.269  -2.779   4.155
  272   2HG   GLU  26          1HG       GLU  26  -9.874  -3.711   5.601
  273    QB   GLU  26           QB       GLU  26  -7.847  -3.842   4.489
  274    QG   GLU  26           QG       GLU  26 -10.072  -3.245   4.878
  275    H    ALA  27           H        ALA  27  -5.917  -3.953   2.444
  276    HA   ALA  27           HA       ALA  27  -3.721  -2.539   3.537
  277   1HB   ALA  27          1HB       ALA  27  -4.144  -4.443   1.247
  278   2HB   ALA  27          3HB       ALA  27  -2.547  -3.733   1.495
  279   3HB   ALA  27          2HB       ALA  27  -3.289  -4.708   2.767
  280    QB   ALA  27           QB       ALA  27  -3.327  -4.295   1.836
  281    H    GLU  28           H        GLU  28  -5.085  -2.340   0.225
  282    HA   GLU  28           HA       GLU  28  -3.333  -0.343  -0.806
  283   1HB   GLU  28          2HB       GLU  28  -5.193  -1.836  -1.894
  284   2HB   GLU  28          1HB       GLU  28  -6.272  -0.505  -1.473
  285   1HG   GLU  28          2HG       GLU  28  -4.698   1.052  -2.675
  286   2HG   GLU  28          1HG       GLU  28  -3.804  -0.358  -3.239
  287    QB   GLU  28           QB       GLU  28  -5.732  -1.171  -1.684
  288    QG   GLU  28           QG       GLU  28  -4.251   0.347  -2.957
  289    H    LYS  29           H        LYS  29  -6.318  -0.088   1.114
  290    HA   LYS  29           HA       LYS  29  -6.549   2.797   0.983
  291   1HB   LYS  29          2HB       LYS  29  -7.515   0.712   2.973
  292   2HB   LYS  29          1HB       LYS  29  -8.074   2.384   2.938
  293   1HG   LYS  29          2HG       LYS  29  -8.202   0.985   0.334
  294   2HG   LYS  29          1HG       LYS  29  -9.274   0.336   1.575
  295   1HD   LYS  29          2HD       LYS  29 -10.624   2.000   0.677
  296   2HD   LYS  29          1HD       LYS  29  -9.835   2.890   1.981
  297   1HE   LYS  29          2HE       LYS  29  -8.599   4.172   0.530
  298   2HE   LYS  29          1HE       LYS  29  -8.385   2.837  -0.620
  299   1HZ   LYS  29          2HZ       LYS  29 -10.761   3.019  -1.165
  300   2HZ   LYS  29          1HZ       LYS  29 -10.884   4.380  -0.154
  301   3HZ   LYS  29          3HZ       LYS  29  -9.911   4.442  -1.543
  302    QB   LYS  29           QB       LYS  29  -7.795   1.548   2.956
  303    QG   LYS  29           QG       LYS  29  -8.738   0.661   0.954
  304    QD   LYS  29           QD       LYS  29 -10.229   2.445   1.329
  305    QE   LYS  29           QE       LYS  29  -8.492   3.504  -0.045
  306    QZ   LYS  29           QZ       LYS  29 -10.519   3.947  -0.954
  307    H    ILE  30           H        ILE  30  -5.328   0.587   3.527
  308    HA   ILE  30           HA       ILE  30  -4.331   2.560   5.328
  309    HB   ILE  30           HB       ILE  30  -3.349  -0.251   4.694
  310   1HG1  ILE  30          2HG1      ILE  30  -5.108   0.454   7.015
  311   2HG1  ILE  30          1HG1      ILE  30  -5.844   0.311   5.420
  312   1HG2  ILE  30          3HG2      ILE  30  -1.838   1.295   6.101
  313   2HG2  ILE  30          2HG2      ILE  30  -3.105   1.219   7.325
  314   3HG2  ILE  30          1HG2      ILE  30  -2.280  -0.255   6.818
  315   1HD1  ILE  30          1HD1      ILE  30  -3.961  -1.859   6.152
  316   2HD1  ILE  30          3HD1      ILE  30  -5.458  -1.804   7.081
  317   3HD1  ILE  30          2HD1      ILE  30  -5.517  -1.947   5.325
  318    QG1  ILE  30           QG1      ILE  30  -5.476   0.383   6.218
  319    QG2  ILE  30           QG2      ILE  30  -2.408   0.753   6.748
  320    QD1  ILE  30           QD1      ILE  30  -4.979  -1.870   6.186
  321    H    PHE  31           H        PHE  31  -2.907   1.020   2.481
  322    HA   PHE  31           HA       PHE  31  -0.276   2.237   2.787
  323   1HB   PHE  31          2HB       PHE  31  -1.803   0.642   0.752
  324   2HB   PHE  31          1HB       PHE  31  -0.341   1.477   0.229
  325    HD1  PHE  31          1HD       PHE  31   1.527   1.300   2.355
  326    HD2  PHE  31          2HD       PHE  31  -1.388  -1.608   1.144
  327    HE1  PHE  31          1HE       PHE  31   2.914  -0.501   3.348
  328    HE2  PHE  31          2HE       PHE  31  -0.003  -3.412   2.138
  329   1HZ   PHE  31           HZ       PHE  31   2.150  -2.858   3.241
  330    QB   PHE  31           QB       PHE  31  -1.072   1.059   0.490
  331    QG   PHE  31           QD       PHE  31   0.070  -0.154   1.750
  332    QZ   PHE  31           QE       PHE  31   1.456  -1.956   2.743
  333    QZ   PHE  31           QR       PHE  31   1.040  -1.416   2.445
  334    H    LYS  32           H        LYS  32  -3.232   2.944   0.942
  335    HA   LYS  32           HA       LYS  32  -2.121   5.211  -0.458
  336   1HB   LYS  32          2HB       LYS  32  -4.847   4.023  -0.053
  337   2HB   LYS  32          1HB       LYS  32  -4.651   5.555  -0.898
  338   1HG   LYS  32          2HG       LYS  32  -3.129   4.528  -2.505
  339   2HG   LYS  32          1HG       LYS  32  -3.211   2.991  -1.644
  340   1HD   LYS  32          2HD       LYS  32  -4.729   2.891  -3.539
  341   2HD   LYS  32          1HD       LYS  32  -5.689   2.963  -2.061
  342   1HE   LYS  32          2HE       LYS  32  -6.540   5.026  -2.571
  343   2HE   LYS  32          1HE       LYS  32  -4.999   5.599  -3.240
  344   1HZ   LYS  32          1HZ       LYS  32  -5.353   4.128  -5.152
  345   2HZ   LYS  32          3HZ       LYS  32  -6.867   3.681  -4.533
  346   3HZ   LYS  32          2HZ       LYS  32  -6.589   5.286  -5.016
  347    QB   LYS  32           QB       LYS  32  -4.749   4.789  -0.476
  348    QG   LYS  32           QG       LYS  32  -3.170   3.760  -2.074
  349    QD   LYS  32           QD       LYS  32  -5.209   2.927  -2.800
  350    QE   LYS  32           QE       LYS  32  -5.769   5.312  -2.905
  351    QZ   LYS  32           QZ       LYS  32  -6.269   4.365  -4.900
  352    H    GLN  33           H        GLN  33  -2.840   4.899   2.788
  353    HA   GLN  33           HA       GLN  33  -3.782   7.753   3.040
  354   1HB   GLN  33          2HB       GLN  33  -5.108   5.908   4.144
  355   2HB   GLN  33          1HB       GLN  33  -3.666   5.470   5.060
  356   1HG   GLN  33          2HG       GLN  33  -3.611   7.797   5.989
  357   2HG   GLN  33          1HG       GLN  33  -5.141   8.117   5.171
  358   1HE2  GLN  33          2HE2      GLN  33  -6.732   5.448   7.280
  359   2HE2  GLN  33          1HE2      GLN  33  -6.460   5.629   5.615
  360    QB   GLN  33           QB       GLN  33  -4.387   5.689   4.602
  361    QG   GLN  33           QG       GLN  33  -4.376   7.957   5.580
  362    QE2  GLN  33           QE2      GLN  33  -6.596   5.538   6.448
  363    H    TYR  34           H        TYR  34  -1.599   5.282   4.169
  364    HA   TYR  34           HA       TYR  34   0.280   6.648   5.750
  365   1HB   TYR  34          2HB       TYR  34   0.368   4.308   5.603
  366   2HB   TYR  34          1HB       TYR  34   0.094   4.314   3.857
  367    HD1  TYR  34          1HD       TYR  34   1.977   4.624   2.311
  368    HD2  TYR  34          2HD       TYR  34   2.608   4.609   6.560
  369    HE1  TYR  34          1HE       TYR  34   4.416   4.361   1.948
  370    HE2  TYR  34          2HE       TYR  34   5.047   4.347   6.197
  371    HH   TYR  34           HH       TYR  34   6.414   3.277   3.608
  372    QB   TYR  34           QB       TYR  34   0.231   4.311   4.730
  373    QG   TYR  34           QD       TYR  34   2.292   4.616   4.435
  374    QZ   TYR  34           QE       TYR  34   4.732   4.354   4.072
  375    QR   TYR  34           QR       TYR  34   3.512   4.485   4.254
  376    H    ALA  35           H        ALA  35  -0.002   6.372   2.218
  377    HA   ALA  35           HA       ALA  35   2.442   7.714   1.464
  378   1HB   ALA  35          3HB       ALA  35  -0.194   6.987   0.234
  379   2HB   ALA  35          2HB       ALA  35   0.848   8.117  -0.630
  380   3HB   ALA  35          1HB       ALA  35   1.433   6.497  -0.242
  381    QB   ALA  35           QB       ALA  35   0.695   7.200  -0.213
  382    H    ASN  36           H        ASN  36  -0.934   8.878   1.727
  383    HA   ASN  36           HA       ASN  36  -0.462  11.602   1.037
  384   1HB   ASN  36          2HB       ASN  36  -2.507  10.076   2.622
  385   2HB   ASN  36          1HB       ASN  36  -2.598  11.835   2.537
  386   1HD2  ASN  36          2HD2      ASN  36  -3.257   9.645  -0.877
  387   2HD2  ASN  36          1HD2      ASN  36  -2.438   8.929   0.425
  388    QB   ASN  36           QB       ASN  36  -2.552  10.956   2.579
  389    QD2  ASN  36           QD2      ASN  36  -2.848   9.287  -0.226
  390    H    ASP  37           H        ASP  37  -0.612  10.063   4.268
  391    HA   ASP  37           HA       ASP  37  -0.136  12.348   5.859
  392   1HB   ASP  37          2HB       ASP  37  -0.660   9.813   6.370
  393   2HB   ASP  37          1HB       ASP  37   1.094   9.689   6.509
  394    QB   ASP  37           QB       ASP  37   0.217   9.751   6.439
  395    H    ASN  38           H        ASN  38   2.072  10.533   3.894
  396    HA   ASN  38           HA       ASN  38   4.419  11.887   5.044
  397   1HB   ASN  38          2HB       ASN  38   3.877   9.505   3.309
  398   2HB   ASN  38          1HB       ASN  38   5.485  10.233   3.288
  399   1HD2  ASN  38          2HD2      ASN  38   4.774   7.689   6.186
  400   2HD2  ASN  38          1HD2      ASN  38   4.074   7.682   4.640
  401    QB   ASN  38           QB       ASN  38   4.681   9.869   3.298
  402    QD2  ASN  38           QD2      ASN  38   4.424   7.685   5.413
  403    H    GLY  39           H        GLY  39   2.421  11.774   2.167
  404   1HA   GLY  39          2HA       GLY  39   2.319  13.757   0.711
  405   2HA   GLY  39          1HA       GLY  39   4.042  14.002   1.009
  406    QA   GLY  39           QA       GLY  39   3.180  13.879   0.860
  407    H    ILE  40           H        ILE  40   2.269  11.033   0.144
  408    HA   ILE  40           HA       ILE  40   4.134  10.707  -2.170
  409    HB   ILE  40           HB       ILE  40   2.853   8.976  -0.123
  410   1HG1  ILE  40          2HG1      ILE  40   5.061   7.796  -0.450
  411   2HG1  ILE  40          1HG1      ILE  40   5.470   9.062  -1.604
  412   1HG2  ILE  40          1HG2      ILE  40   1.939   8.044  -2.285
  413   2HG2  ILE  40          3HG2      ILE  40   3.607   7.801  -2.807
  414   3HG2  ILE  40          2HG2      ILE  40   2.986   6.940  -1.396
  415   1HD1  ILE  40          1HD1      ILE  40   4.460   9.784   1.128
  416   2HD1  ILE  40          3HD1      ILE  40   6.171   9.390   0.897
  417   3HD1  ILE  40          2HD1      ILE  40   5.439  10.743   0.014
  418    QG1  ILE  40           QG1      ILE  40   5.265   8.429  -1.027
  419    QG2  ILE  40           QG2      ILE  40   2.844   7.595  -2.163
  420    QD1  ILE  40           QD1      ILE  40   5.356   9.973   0.680
  421    H    ASP  41           H        ASP  41   3.291  10.919  -4.141
  422    HA   ASP  41           HA       ASP  41   0.546  10.085  -4.795
  423   1HB   ASP  41          2HB       ASP  41   0.402  12.359  -3.679
  424   2HB   ASP  41          1HB       ASP  41   1.329  13.004  -5.034
  425    QB   ASP  41           QB       ASP  41   0.866  12.681  -4.357
  426    H    GLY  42           H        GLY  42   1.335   8.871  -6.538
  427   1HA   GLY  42          2HA       GLY  42   2.172  10.364  -8.913
  428   2HA   GLY  42          1HA       GLY  42   3.414   9.287  -8.272
  429    QA   GLY  42           QA       GLY  42   2.793   9.825  -8.593
  430    H    GLU  43           H        GLU  43   2.234   7.019  -7.599
  431    HA   GLU  43           HA       GLU  43   0.319   6.187  -9.725
  432   1HB   GLU  43          2HB       GLU  43   3.114   5.067  -9.301
  433   2HB   GLU  43          1HB       GLU  43   1.905   4.362 -10.379
  434   1HG   GLU  43          2HG       GLU  43   1.781   6.628 -11.533
  435   2HG   GLU  43          1HG       GLU  43   3.215   7.080 -10.611
  436    QB   GLU  43           QB       GLU  43   2.509   4.714  -9.840
  437    QG   GLU  43           QG       GLU  43   2.498   6.854 -11.072
  438    H    TRP  44           H        TRP  44  -0.313   3.832  -9.366
  439    HA   TRP  44           HA       TRP  44   0.194   2.636  -6.713
  440   1HB   TRP  44          2HB       TRP  44  -2.336   4.098  -7.469
  441   2HB   TRP  44          1HB       TRP  44  -2.443   2.665  -6.437
  442    HD1  TRP  44           HD       TRP  44  -1.436   6.296  -6.372
  443    HE1  TRP  44          1HE       TRP  44  -0.658   6.901  -3.987
  444    HE3  TRP  44          3HE       TRP  44  -1.303   1.642  -4.328
  445    HZ2  TRP  44          2HZ       TRP  44  -0.057   5.565  -1.523
  446    HZ3  TRP  44          3HZ       TRP  44  -0.629   1.329  -1.952
  447    HH2  TRP  44           HH       TRP  44   0.002   3.283  -0.562
  448    QB   TRP  44           QB       TRP  44  -2.389   3.382  -6.953
  449    H    THR  45           H        THR  45   0.341   0.496  -7.216
  450    HA   THR  45           HA       THR  45  -1.682  -0.693  -9.063
  451    HB   THR  45           HB       THR  45   0.000  -1.706 -10.425
  452    HG1  THR  45          1HG       THR  45   2.131  -1.733  -9.859
  453   1HG2  THR  45          1HG2      THR  45  -0.352   0.700 -10.892
  454   2HG2  THR  45          3HG2      THR  45   0.968   1.090  -9.789
  455   3HG2  THR  45          2HG2      THR  45   1.293   0.195 -11.276
  456    QG2  THR  45           QG2      THR  45   0.636   0.662 -10.652
  457    H    TYR  46           H        TYR  46  -2.397  -2.608  -8.259
  458    HA   TYR  46           HA       TYR  46  -1.031  -3.717  -5.862
  459   1HB   TYR  46          2HB       TYR  46  -3.382  -3.238  -5.639
  460   2HB   TYR  46          1HB       TYR  46  -3.758  -4.098  -7.135
  461    HD1  TYR  46          2HD       TYR  46  -1.718  -4.892  -4.080
  462    HD2  TYR  46          1HD       TYR  46  -4.868  -6.114  -6.731
  463    HE1  TYR  46          2HE       TYR  46  -1.957  -7.007  -2.818
  464    HE2  TYR  46          1HE       TYR  46  -5.100  -8.238  -5.470
  465    HH   TYR  46           HH       TYR  46  -4.605  -9.042  -3.125
  466    QB   TYR  46           QB       TYR  46  -3.570  -3.668  -6.387
  467    QG   TYR  46           QD       TYR  46  -3.293  -5.503  -5.406
  468    QZ   TYR  46           QE       TYR  46  -3.529  -7.623  -4.144
  469    QR   TYR  46           QR       TYR  46  -3.411  -6.563  -4.775
  470    H    ASP  47           H        ASP  47  -0.250  -5.841  -5.816
  471    HA   ASP  47           HA       ASP  47  -0.159  -7.289  -8.441
  472   1HB   ASP  47          2HB       ASP  47   1.766  -7.196  -6.093
  473   2HB   ASP  47          1HB       ASP  47   1.985  -8.206  -7.522
  474    QB   ASP  47           QB       ASP  47   1.876  -7.701  -6.807
  475    H    ASP  48           H        ASP  48  -1.925  -8.683  -8.165
  476    HA   ASP  48           HA       ASP  48  -2.600  -9.990  -5.682
  477   1HB   ASP  48          2HB       ASP  48  -4.134  -9.504  -7.585
  478   2HB   ASP  48          1HB       ASP  48  -3.282 -10.714  -8.546
  479    QB   ASP  48           QB       ASP  48  -3.708 -10.109  -8.065
  480    H    ALA  49           H        ALA  49  -0.003 -10.578  -7.770
  481    HA   ALA  49           HA       ALA  49   0.049 -13.507  -7.446
  482   1HB   ALA  49          3HB       ALA  49   1.716 -11.384  -8.797
  483   2HB   ALA  49          2HB       ALA  49   2.322 -13.032  -8.637
  484   3HB   ALA  49          1HB       ALA  49   0.835 -12.723  -9.533
  485    QB   ALA  49           QB       ALA  49   1.624 -12.380  -8.989
  486    H    THR  50           H        THR  50   1.486 -10.607  -6.049
  487    HA   THR  50           HA       THR  50   2.933 -12.341  -4.074
  488    HB   THR  50           HB       THR  50   4.702 -10.588  -4.127
  489    HG1  THR  50          1HG       THR  50   3.177  -9.560  -6.285
  490   1HG2  THR  50          1HG2      THR  50   4.454 -12.623  -5.801
  491   2HG2  THR  50          3HG2      THR  50   4.245 -11.336  -6.988
  492   3HG2  THR  50          2HG2      THR  50   5.726 -11.423  -6.033
  493    QG2  THR  50           QG2      THR  50   4.808 -11.794  -6.274
  494    H    LYS  51           H        LYS  51   0.345 -10.366  -4.388
  495    HA   LYS  51           HA       LYS  51  -0.861  -8.964  -2.922
  496   1HB   LYS  51          2HB       LYS  51   0.955 -10.420  -0.969
  497   2HB   LYS  51          1HB       LYS  51  -0.510  -9.544  -0.527
  498   1HG   LYS  51          2HG       LYS  51  -0.810 -11.554  -2.691
  499   2HG   LYS  51          1HG       LYS  51  -0.482 -12.198  -1.083
  500   1HD   LYS  51          2HD       LYS  51  -2.353 -10.649  -0.252
  501   2HD   LYS  51          1HD       LYS  51  -2.784 -10.445  -1.950
  502   1HE   LYS  51          2HE       LYS  51  -2.394 -13.245  -0.978
  503   2HE   LYS  51          1HE       LYS  51  -3.875 -12.401  -0.482
  504   1HZ   LYS  51          3HZ       LYS  51  -2.879 -12.430  -3.277
  505   2HZ   LYS  51          2HZ       LYS  51  -4.010 -13.553  -2.690
  506   3HZ   LYS  51          1HZ       LYS  51  -4.391 -11.897  -2.724
  507    QB   LYS  51           QB       LYS  51   0.222  -9.982  -0.748
  508    QG   LYS  51           QG       LYS  51  -0.646 -11.876  -1.887
  509    QD   LYS  51           QD       LYS  51  -2.569 -10.547  -1.101
  510    QE   LYS  51           QE       LYS  51  -3.134 -12.823  -0.730
  511    QZ   LYS  51           QZ       LYS  51  -3.760 -12.626  -2.897
  512    H    THR  52           H        THR  52   1.406  -7.756  -4.180
  513    HA   THR  52           HA       THR  52   2.314  -5.877  -2.008
  514    HB   THR  52           HB       THR  52   3.869  -6.591  -4.499
  515    HG1  THR  52          1HG       THR  52   3.914  -7.854  -1.959
  516   1HG2  THR  52          1HG2      THR  52   4.352  -5.145  -1.940
  517   2HG2  THR  52          3HG2      THR  52   5.688  -6.092  -2.594
  518   3HG2  THR  52          2HG2      THR  52   4.965  -4.804  -3.557
  519    QG2  THR  52           QG2      THR  52   5.002  -5.347  -2.697
  520    H    PHE  53           H        PHE  53   1.825  -3.744  -2.408
  521    HA   PHE  53           HA       PHE  53   0.566  -3.027  -4.976
  522   1HB   PHE  53          2HB       PHE  53   0.998  -1.658  -2.313
  523   2HB   PHE  53          1HB       PHE  53   0.217  -0.851  -3.674
  524    HD1  PHE  53          2HD       PHE  53  -0.006  -3.782  -1.388
  525    HD2  PHE  53          1HD       PHE  53  -2.056  -1.327  -4.268
  526    HE1  PHE  53          2HE       PHE  53  -2.152  -4.899  -0.816
  527    HE2  PHE  53          1HE       PHE  53  -4.189  -2.452  -3.696
  528   1HZ   PHE  53           HZ       PHE  53  -4.238  -4.233  -1.974
  529    QB   PHE  53           QB       PHE  53   0.608  -1.255  -2.994
  530    QG   PHE  53           QD       PHE  53  -1.031  -2.554  -2.828
  531    QZ   PHE  53           QE       PHE  53  -3.170  -3.676  -2.256
  532    QZ   PHE  53           QR       PHE  53  -2.528  -3.339  -2.428
  533    H    THR  54           H        THR  54   1.317  -0.442  -5.510
  534    HA   THR  54           HA       THR  54   4.264  -0.207  -5.363
  535    HB   THR  54           HB       THR  54   3.044  -0.100  -8.096
  536    HG1  THR  54          1HG       THR  54   3.380  -2.360  -8.285
  537   1HG2  THR  54          1HG2      THR  54   5.543   0.273  -7.180
  538   2HG2  THR  54          3HG2      THR  54   5.604  -1.467  -7.458
  539   3HG2  THR  54          2HG2      THR  54   5.211  -0.375  -8.786
  540    QG2  THR  54           QG2      THR  54   5.452  -0.523  -7.808
  541    H    VAL  55           H        VAL  55   4.096   1.834  -4.456
  542    HA   VAL  55           HA       VAL  55   2.447   3.829  -5.931
  543    HB   VAL  55           HB       VAL  55   1.633   3.373  -3.698
  544   1HG1  VAL  55          2HG1      VAL  55   4.513   3.852  -2.902
  545   2HG1  VAL  55          1HG1      VAL  55   3.185   3.883  -1.738
  546   3HG1  VAL  55          3HG1      VAL  55   3.530   2.405  -2.640
  547   1HG2  VAL  55          2HG2      VAL  55   3.159   5.990  -3.848
  548   2HG2  VAL  55          1HG2      VAL  55   1.488   5.711  -4.337
  549   3HG2  VAL  55          3HG2      VAL  55   1.934   5.630  -2.632
  550    QG1  VAL  55           QG1      VAL  55   3.742   3.380  -2.427
  551    QG2  VAL  55           QG2      VAL  55   2.194   5.777  -3.606
  552    QQG  VAL  55           QQG      VAL  55   2.968   4.578  -3.016
  553    H    THR  56           H        THR  56   3.360   5.751  -6.554
  554    HA   THR  56           HA       THR  56   6.171   6.325  -5.746
  555    HB   THR  56           HB       THR  56   5.870   4.926  -7.909
  556    HG1  THR  56          1HG       THR  56   7.525   6.201  -8.922
  557   1HG2  THR  56          1HG2      THR  56   4.087   6.868  -8.619
  558   2HG2  THR  56          3HG2      THR  56   5.546   7.413  -9.450
  559   3HG2  THR  56          2HG2      THR  56   4.908   5.794  -9.753
  560    QG2  THR  56           QG2      THR  56   4.847   6.692  -9.274
  561    H    GLU  57           H        GLU  57   6.692   8.580  -7.098
  562    HA   GLU  57           HA       GLU  57   4.311  10.373  -6.787
  563   1HB   GLU  57          2HB       GLU  57   5.788  10.308  -4.753
  564   2HB   GLU  57          1HB       GLU  57   7.120  10.885  -5.754
  565   1HG   GLU  57          2HG       GLU  57   4.970  12.639  -6.286
  566   2HG   GLU  57          1HG       GLU  57   4.958  12.396  -4.541
  567    QB   GLU  57           QB       GLU  57   6.454  10.596  -5.254
  568    QG   GLU  57           QG       GLU  57   4.964  12.518  -5.413
   
  No H/Q in entry =         568
  Start of MODEL   17
    1   1H    MET   1          2HT       MET   1  -1.961 -16.352   4.887
    2   2H    MET   1          1HT       MET   1  -0.368 -15.786   4.713
    3   3H    MET   1          3HT       MET   1  -0.794 -16.714   6.067
    4    HA   MET   1           HA       MET   1  -2.241 -14.961   6.875
    5   1HB   MET   1          2HB       MET   1   0.547 -15.085   6.746
    6   2HB   MET   1          1HB       MET   1   0.188 -13.413   6.319
    7   1HG   MET   1          2HG       MET   1  -0.791 -12.952   8.376
    8   2HG   MET   1          1HG       MET   1  -1.226 -14.638   8.661
    9   1HE   MET   1          1HE       MET   1  -0.628 -13.483  10.782
   10   2HE   MET   1          3HE       MET   1   0.786 -14.134  11.621
   11   3HE   MET   1          2HE       MET   1   0.839 -12.517  10.926
   12    QB   MET   1           QB       MET   1   0.367 -14.249   6.532
   13    QG   MET   1           QG       MET   1  -1.009 -13.795   8.518
   14    QE   MET   1           QE       MET   1   0.332 -13.378  11.110
   15    H    THR   2           H        THR   2  -1.961 -12.276   6.555
   16    HA   THR   2           HA       THR   2  -2.633 -11.711   3.687
   17    HB   THR   2           HB       THR   2  -4.071 -10.654   6.139
   18    HG1  THR   2          1HG       THR   2  -4.907 -12.654   4.316
   19   1HG2  THR   2          2HG2      THR   2  -4.317 -10.292   3.189
   20   2HG2  THR   2          1HG2      THR   2  -5.811 -10.379   4.123
   21   3HG2  THR   2          3HG2      THR   2  -4.612  -9.140   4.491
   22    QG2  THR   2           QG2      THR   2  -4.913  -9.937   3.934
   23    H    THR   3           H        THR   3  -0.140 -11.203   5.194
   24    HA   THR   3           HA       THR   3  -0.063  -8.389   5.956
   25    HB   THR   3           HB       THR   3   2.180 -10.299   5.221
   26    HG1  THR   3          1HG       THR   3   0.898  -9.837   7.708
   27   1HG2  THR   3          3HG2      THR   3   2.353  -7.639   5.728
   28   2HG2  THR   3          2HG2      THR   3   2.448  -8.275   7.370
   29   3HG2  THR   3          1HG2      THR   3   3.618  -8.791   6.156
   30    QG2  THR   3           QG2      THR   3   2.806  -8.235   6.418
   31    H    PHE   4           H        PHE   4  -0.566  -6.985   4.272
   32    HA   PHE   4           HA       PHE   4   0.478  -7.440   1.550
   33   1HB   PHE   4          2HB       PHE   4  -1.255  -5.368   2.915
   34   2HB   PHE   4          1HB       PHE   4  -0.786  -5.231   1.220
   35    HD1  PHE   4          1HD       PHE   4  -1.149  -7.418  -0.224
   36    HD2  PHE   4          2HD       PHE   4  -3.201  -6.541   3.444
   37    HE1  PHE   4          1HE       PHE   4  -2.946  -9.008  -0.852
   38    HE2  PHE   4          2HE       PHE   4  -4.997  -8.123   2.815
   39   1HZ   PHE   4           HZ       PHE   4  -4.871  -9.361   0.670
   40    QB   PHE   4           QB       PHE   4  -1.020  -5.300   2.067
   41    QG   PHE   4           QD       PHE   4  -2.175  -6.979   1.610
   42    QZ   PHE   4           QE       PHE   4  -3.971  -8.565   0.982
   43    QZ   PHE   4           QR       PHE   4  -3.433  -8.090   1.170
   44    H    LYS   5           H        LYS   5   2.164  -6.281   0.626
   45    HA   LYS   5           HA       LYS   5   3.707  -4.485   2.451
   46   1HB   LYS   5          2HB       LYS   5   4.455  -6.082  -0.022
   47   2HB   LYS   5          1HB       LYS   5   5.578  -5.087   0.902
   48   1HG   LYS   5          2HG       LYS   5   5.976  -6.962   2.112
   49   2HG   LYS   5          1HG       LYS   5   4.420  -6.636   2.873
   50   1HD   LYS   5          2HD       LYS   5   3.296  -8.204   1.554
   51   2HD   LYS   5          1HD       LYS   5   4.516  -8.154   0.282
   52   1HE   LYS   5          2HE       LYS   5   6.104  -9.101   2.177
   53   2HE   LYS   5          1HE       LYS   5   4.569  -9.641   2.889
   54   1HZ   LYS   5          3HZ       LYS   5   3.969 -10.611   0.749
   55   2HZ   LYS   5          2HZ       LYS   5   5.466 -10.137   0.098
   56   3HZ   LYS   5          1HZ       LYS   5   5.404 -11.294   1.341
   57    QB   LYS   5           QB       LYS   5   5.017  -5.584   0.440
   58    QG   LYS   5           QG       LYS   5   5.198  -6.799   2.493
   59    QD   LYS   5           QD       LYS   5   3.906  -8.179   0.918
   60    QE   LYS   5           QE       LYS   5   5.336  -9.371   2.533
   61    QZ   LYS   5           QZ       LYS   5   4.946 -10.680   0.729
   62    H    LEU   6           H        LEU   6   5.218  -3.080   0.621
   63    HA   LEU   6           HA       LEU   6   3.550  -1.955  -1.513
   64   1HB   LEU   6          2HB       LEU   6   2.545  -0.984   0.508
   65   2HB   LEU   6          1HB       LEU   6   4.125  -0.419   1.045
   66    HG   LEU   6           HG       LEU   6   4.176   0.814  -1.274
   67   1HD1  LEU   6          3HD1      LEU   6   1.279   0.079  -0.903
   68   2HD1  LEU   6          2HD1      LEU   6   1.734   1.549  -1.763
   69   3HD1  LEU   6          1HD1      LEU   6   2.265  -0.022  -2.362
   70   1HD2  LEU   6          2HD2      LEU   6   3.715   1.628   1.251
   71   2HD2  LEU   6          1HD2      LEU   6   3.631   2.730  -0.123
   72   3HD2  LEU   6          3HD2      LEU   6   2.152   2.034   0.540
   73    QB   LEU   6           QB       LEU   6   3.335  -0.702   0.776
   74    QD1  LEU   6           QD1      LEU   6   1.759   0.535  -1.676
   75    QD2  LEU   6           QD2      LEU   6   3.166   2.130   0.556
   76    QQD  LEU   6           QQD      LEU   6   2.463   1.333  -0.560
   77    H    ILE   7           H        ILE   7   5.316  -2.135  -2.921
   78    HA   ILE   7           HA       ILE   7   7.979  -1.147  -2.160
   79    HB   ILE   7           HB       ILE   7   6.771  -2.180  -4.755
   80   1HG1  ILE   7          2HG1      ILE   7   8.785  -3.689  -3.147
   81   2HG1  ILE   7          1HG1      ILE   7   7.138  -3.620  -2.518
   82   1HG2  ILE   7          3HG2      ILE   7   9.496  -1.203  -4.001
   83   2HG2  ILE   7          2HG2      ILE   7   9.392  -2.603  -5.071
   84   3HG2  ILE   7          1HG2      ILE   7   8.643  -1.075  -5.541
   85   1HD1  ILE   7          3HD1      ILE   7   6.572  -4.199  -5.080
   86   2HD1  ILE   7          2HD1      ILE   7   8.172  -4.936  -4.982
   87   3HD1  ILE   7          1HD1      ILE   7   6.894  -5.453  -3.882
   88    QG1  ILE   7           QG1      ILE   7   7.961  -3.655  -2.832
   89    QG2  ILE   7           QG2      ILE   7   9.177  -1.627  -4.871
   90    QD1  ILE   7           QD1      ILE   7   7.212  -4.863  -4.648
   91    H    ILE   8           H        ILE   8   8.664   0.931  -2.596
   92    HA   ILE   8           HA       ILE   8   6.730   2.678  -4.014
   93    HB   ILE   8           HB       ILE   8   9.144   3.622  -2.500
   94   1HG1  ILE   8          2HG1      ILE   8   7.970   1.991  -1.035
   95   2HG1  ILE   8          1HG1      ILE   8   7.827   3.631  -0.424
   96   1HG2  ILE   8          2HG2      ILE   8   6.361   4.736  -2.954
   97   2HG2  ILE   8          1HG2      ILE   8   7.639   5.535  -2.039
   98   3HG2  ILE   8          3HG2      ILE   8   7.839   5.260  -3.768
   99   1HD1  ILE   8          1HD1      ILE   8   5.718   2.313  -2.150
  100   2HD1  ILE   8          3HD1      ILE   8   5.683   2.276  -0.387
  101   3HD1  ILE   8          2HD1      ILE   8   5.571   3.816  -1.239
  102    QG1  ILE   8           QG1      ILE   8   7.899   2.811  -0.729
  103    QG2  ILE   8           QG2      ILE   8   7.280   5.177  -2.920
  104    QD1  ILE   8           QD1      ILE   8   5.657   2.802  -1.258
  105    H    ASN   9           H        ASN   9   7.204   3.135  -6.135
  106    HA   ASN   9           HA       ASN   9   9.738   2.502  -7.355
  107   1HB   ASN   9          2HB       ASN   9   7.621   4.377  -8.425
  108   2HB   ASN   9          1HB       ASN   9   8.733   3.385  -9.354
  109   1HD2  ASN   9          2HD2      ASN   9   5.225   1.827  -8.918
  110   2HD2  ASN   9          1HD2      ASN   9   5.651   3.448  -9.200
  111    QB   ASN   9           QB       ASN   9   8.177   3.881  -8.890
  112    QD2  ASN   9           QD2      ASN   9   5.438   2.637  -9.059
  113    H    GLY  10           H        GLY  10   8.437   5.368  -5.878
  114   1HA   GLY  10          2HA       GLY  10  10.538   7.116  -6.972
  115   2HA   GLY  10          1HA       GLY  10   9.254   7.610  -5.870
  116    QA   GLY  10           QA       GLY  10   9.896   7.363  -6.421
  117    H    LYS  11           H        LYS  11  11.048   8.715  -4.707
  118    HA   LYS  11           HA       LYS  11  12.808   6.874  -3.150
  119   1HB   LYS  11          2HB       LYS  11  14.044   8.979  -2.665
  120   2HB   LYS  11          1HB       LYS  11  13.857   8.711  -4.396
  121   1HG   LYS  11          2HG       LYS  11  12.213  10.380  -4.606
  122   2HG   LYS  11          1HG       LYS  11  11.846  10.366  -2.879
  123   1HD   LYS  11          2HD       LYS  11  13.728  11.615  -2.328
  124   2HD   LYS  11          1HD       LYS  11  14.613  11.108  -3.767
  125   1HE   LYS  11          2HE       LYS  11  12.126  12.638  -4.301
  126   2HE   LYS  11          1HE       LYS  11  13.442  13.555  -3.540
  127   1HZ   LYS  11          1HZ       LYS  11  13.809  11.765  -5.881
  128   2HZ   LYS  11          3HZ       LYS  11  13.600  13.443  -6.007
  129   3HZ   LYS  11          2HZ       LYS  11  14.959  12.816  -5.204
  130    QB   LYS  11           QB       LYS  11  13.951   8.845  -3.531
  131    QG   LYS  11           QG       LYS  11  12.030  10.373  -3.743
  132    QD   LYS  11           QD       LYS  11  14.170  11.361  -3.047
  133    QE   LYS  11           QE       LYS  11  12.784  13.096  -3.921
  134    QZ   LYS  11           QZ       LYS  11  14.123  12.675  -5.697
  135    H    THR  12           H        THR  12  10.090   9.057  -2.818
  136    HA   THR  12           HA       THR  12  10.213   9.668  -0.037
  137    HB   THR  12           HB       THR  12   7.765  10.004  -0.320
  138    HG1  THR  12          1HG       THR  12   7.309   8.212  -1.581
  139   1HG2  THR  12          1HG2      THR  12   9.710  11.442  -1.444
  140   2HG2  THR  12          3HG2      THR  12   8.921  10.894  -2.923
  141   3HG2  THR  12          2HG2      THR  12   8.009  11.814  -1.725
  142    QG2  THR  12           QG2      THR  12   8.880  11.383  -2.031
  143    H    LEU  13           H        LEU  13  10.122   8.321   1.695
  144    HA   LEU  13           HA       LEU  13   9.854   6.358   2.950
  145   1HB   LEU  13          2HB       LEU  13   7.604   6.115   3.296
  146   2HB   LEU  13          1HB       LEU  13   7.470   7.438   2.150
  147    HG   LEU  13           HG       LEU  13   7.483   5.373   0.424
  148   1HD1  LEU  13          3HD1      LEU  13   7.401   4.005   2.809
  149   2HD1  LEU  13          2HD1      LEU  13   5.687   4.141   2.419
  150   3HD1  LEU  13          1HD1      LEU  13   6.792   3.373   1.280
  151   1HD2  LEU  13          2HD2      LEU  13   5.732   7.269   1.136
  152   2HD2  LEU  13          1HD2      LEU  13   5.286   5.940   0.066
  153   3HD2  LEU  13          3HD2      LEU  13   4.880   5.866   1.780
  154    QB   LEU  13           QB       LEU  13   7.537   6.777   2.723
  155    QD1  LEU  13           QD1      LEU  13   6.627   3.840   2.169
  156    QD2  LEU  13           QD2      LEU  13   5.299   6.359   0.994
  157    QQD  LEU  13           QQD      LEU  13   5.963   5.099   1.582
  158    H    LYS  14           H        LYS  14  11.201   6.158   0.280
  159    HA   LYS  14           HA       LYS  14  10.641   3.956  -1.294
  160   1HB   LYS  14          2HB       LYS  14  13.097   3.860  -1.638
  161   2HB   LYS  14          1HB       LYS  14  12.499   5.518  -1.622
  162   1HG   LYS  14          2HG       LYS  14  13.060   5.472   0.913
  163   2HG   LYS  14          1HG       LYS  14  14.032   4.053   0.522
  164   1HD   LYS  14          2HD       LYS  14  14.304   6.731  -0.873
  165   2HD   LYS  14          1HD       LYS  14  15.331   6.201   0.460
  166   1HE   LYS  14          2HE       LYS  14  15.080   4.241  -1.747
  167   2HE   LYS  14          1HE       LYS  14  15.933   5.741  -2.164
  168   1HZ   LYS  14          1HZ       LYS  14  16.466   4.103   0.258
  169   2HZ   LYS  14          3HZ       LYS  14  17.415   4.079  -1.147
  170   3HZ   LYS  14          2HZ       LYS  14  17.308   5.499  -0.220
  171    QB   LYS  14           QB       LYS  14  12.798   4.689  -1.630
  172    QG   LYS  14           QG       LYS  14  13.546   4.762   0.718
  173    QD   LYS  14           QD       LYS  14  14.817   6.466  -0.206
  174    QE   LYS  14           QE       LYS  14  15.507   4.991  -1.955
  175    QZ   LYS  14           QZ       LYS  14  17.063   4.560  -0.370
  176    H    GLY  15           H        GLY  15  10.341   1.810  -0.882
  177   1HA   GLY  15          2HA       GLY  15  11.916  -0.030   0.318
  178   2HA   GLY  15          1HA       GLY  15  11.160   0.708   1.730
  179    QA   GLY  15           QA       GLY  15  11.538   0.339   1.024
  180    H    GLU  16           H        GLU  16  10.322  -1.564   1.975
  181    HA   GLU  16           HA       GLU  16   7.745  -1.904   0.474
  182   1HB   GLU  16          2HB       GLU  16   9.554  -3.386  -0.349
  183   2HB   GLU  16          1HB       GLU  16   9.793  -3.992   1.289
  184   1HG   GLU  16          2HG       GLU  16   7.683  -5.063   1.323
  185   2HG   GLU  16          1HG       GLU  16   7.098  -4.138  -0.059
  186    QB   GLU  16           QB       GLU  16   9.673  -3.689   0.470
  187    QG   GLU  16           QG       GLU  16   7.391  -4.601   0.632
  188    H    ILE  17           H        ILE  17   7.244  -0.661   2.670
  189    HA   ILE  17           HA       ILE  17   7.369  -1.979   5.198
  190    HB   ILE  17           HB       ILE  17   5.321  -0.035   4.067
  191   1HG1  ILE  17          2HG1      ILE  17   7.548   0.816   5.857
  192   2HG1  ILE  17          1HG1      ILE  17   7.980   0.405   4.199
  193   1HG2  ILE  17          2HG2      ILE  17   6.027  -0.871   6.889
  194   2HG2  ILE  17          1HG2      ILE  17   5.183   0.636   6.533
  195   3HG2  ILE  17          3HG2      ILE  17   4.444  -0.910   6.111
  196   1HD1  ILE  17          2HD1      ILE  17   5.720   2.295   4.887
  197   2HD1  ILE  17          1HD1      ILE  17   7.369   2.842   4.581
  198   3HD1  ILE  17          3HD1      ILE  17   6.459   2.031   3.307
  199    QG1  ILE  17           QG1      ILE  17   7.764   0.611   5.028
  200    QG2  ILE  17           QG2      ILE  17   5.218  -0.382   6.511
  201    QD1  ILE  17           QD1      ILE  17   6.516   2.390   4.258
  202    H    THR  18           H        THR  18   6.056  -3.539   6.137
  203    HA   THR  18           HA       THR  18   3.915  -4.722   4.406
  204    HB   THR  18           HB       THR  18   4.419  -6.774   5.720
  205    HG1  THR  18          1HG       THR  18   5.083  -5.823   7.631
  206   1HG2  THR  18          3HG2      THR  18   6.017  -5.560   3.774
  207   2HG2  THR  18          2HG2      THR  18   7.157  -6.072   5.017
  208   3HG2  THR  18          1HG2      THR  18   6.079  -7.250   4.271
  209    QG2  THR  18           QG2      THR  18   6.417  -6.294   4.354
  210    H    ILE  19           H        ILE  19   1.847  -4.900   5.213
  211    HA   ILE  19           HA       ILE  19   1.361  -4.409   8.113
  212    HB   ILE  19           HB       ILE  19  -0.348  -2.708   7.518
  213   1HG1  ILE  19          2HG1      ILE  19   0.188  -1.866   4.982
  214   2HG1  ILE  19          1HG1      ILE  19   0.396  -3.606   4.787
  215   1HG2  ILE  19          3HG2      ILE  19   2.080  -2.127   7.977
  216   2HG2  ILE  19          2HG2      ILE  19   2.305  -2.028   6.231
  217   3HG2  ILE  19          1HG2      ILE  19   1.188  -0.929   7.040
  218   1HD1  ILE  19          1HD1      ILE  19  -1.861  -3.776   6.091
  219   2HD1  ILE  19          3HD1      ILE  19  -2.060  -2.083   5.634
  220   3HD1  ILE  19          2HD1      ILE  19  -1.899  -3.321   4.388
  221    QG1  ILE  19           QG1      ILE  19   0.292  -2.736   4.885
  222    QG2  ILE  19           QG2      ILE  19   1.858  -1.695   7.083
  223    QD1  ILE  19           QD1      ILE  19  -1.940  -3.060   5.371
  224    H    GLU  20           H        GLU  20  -0.451  -5.525   8.877
  225    HA   GLU  20           HA       GLU  20  -1.648  -7.510   7.042
  226   1HB   GLU  20          2HB       GLU  20  -2.560  -8.412   9.173
  227   2HB   GLU  20          1HB       GLU  20  -0.820  -8.153   9.269
  228   1HG   GLU  20          2HG       GLU  20  -1.021  -6.514  10.837
  229   2HG   GLU  20          1HG       GLU  20  -2.447  -5.820  10.071
  230    QB   GLU  20           QB       GLU  20  -1.690  -8.282   9.221
  231    QG   GLU  20           QG       GLU  20  -1.734  -6.167  10.454
  232    H    ALA  21           H        ALA  21  -3.998  -7.755   6.868
  233    HA   ALA  21           HA       ALA  21  -5.808  -5.705   7.881
  234   1HB   ALA  21          2HB       ALA  21  -4.846  -5.679   5.004
  235   2HB   ALA  21          1HB       ALA  21  -6.267  -4.795   5.562
  236   3HB   ALA  21          3HB       ALA  21  -4.673  -4.390   6.196
  237    QB   ALA  21           QB       ALA  21  -5.262  -4.955   5.587
  238    H    VAL  22           H        VAL  22  -8.038  -6.021   6.921
  239    HA   VAL  22           HA       VAL  22  -8.912  -8.691   6.968
  240    HB   VAL  22           HB       VAL  22 -10.318  -6.693   7.293
  241   1HG1  VAL  22          1HG1      VAL  22  -9.117  -5.470   5.335
  242   2HG1  VAL  22          3HG1      VAL  22 -10.300  -6.277   4.305
  243   3HG1  VAL  22          2HG1      VAL  22 -10.840  -5.171   5.567
  244   1HG2  VAL  22          2HG2      VAL  22 -11.116  -9.010   6.182
  245   2HG2  VAL  22          1HG2      VAL  22 -12.231  -7.677   6.478
  246   3HG2  VAL  22          3HG2      VAL  22 -11.550  -7.916   4.869
  247    QG1  VAL  22           QG1      VAL  22 -10.086  -5.639   5.069
  248    QG2  VAL  22           QG2      VAL  22 -11.632  -8.201   5.843
  249    QQG  VAL  22           QQG      VAL  22 -10.859  -6.920   5.456
  250    H    ASP  23           H        ASP  23  -8.014  -6.674   4.198
  251    HA   ASP  23           HA       ASP  23  -7.420  -9.021   2.550
  252   1HB   ASP  23          2HB       ASP  23  -9.934  -7.434   2.349
  253   2HB   ASP  23          1HB       ASP  23  -9.143  -7.843   0.825
  254    QB   ASP  23           QB       ASP  23  -9.539  -7.639   1.587
  255    H    ALA  24           H        ALA  24  -6.783  -8.118   0.235
  256    HA   ALA  24           HA       ALA  24  -4.758  -6.135   0.579
  257   1HB   ALA  24          3HB       ALA  24  -5.299  -7.994  -1.267
  258   2HB   ALA  24          2HB       ALA  24  -6.000  -6.607  -2.102
  259   3HB   ALA  24          1HB       ALA  24  -4.296  -6.591  -1.642
  260    QB   ALA  24           QB       ALA  24  -5.198  -7.064  -1.670
  261    H    ALA  25           H        ALA  25  -8.154  -5.892  -0.316
  262    HA   ALA  25           HA       ALA  25  -8.251  -3.312  -1.461
  263   1HB   ALA  25          2HB       ALA  25 -10.069  -5.128   0.052
  264   2HB   ALA  25          1HB       ALA  25 -10.585  -3.450  -0.118
  265   3HB   ALA  25          3HB       ALA  25 -10.272  -4.427  -1.553
  266    QB   ALA  25           QB       ALA  25 -10.309  -4.335  -0.540
  267    H    GLU  26           H        GLU  26  -8.428  -4.300   1.960
  268    HA   GLU  26           HA       GLU  26  -8.620  -1.610   3.023
  269   1HB   GLU  26          2HB       GLU  26  -9.338  -3.700   4.178
  270   2HB   GLU  26          1HB       GLU  26  -7.653  -4.213   4.262
  271   1HG   GLU  26          2HG       GLU  26  -7.736  -3.190   6.308
  272   2HG   GLU  26          1HG       GLU  26  -7.440  -1.738   5.350
  273    QB   GLU  26           QB       GLU  26  -8.496  -3.956   4.220
  274    QG   GLU  26           QG       GLU  26  -7.588  -2.464   5.829
  275    H    ALA  27           H        ALA  27  -5.941  -3.920   2.539
  276    HA   ALA  27           HA       ALA  27  -3.814  -2.425   3.686
  277   1HB   ALA  27          3HB       ALA  27  -4.191  -4.568   1.675
  278   2HB   ALA  27          2HB       ALA  27  -2.672  -3.679   1.532
  279   3HB   ALA  27          1HB       ALA  27  -3.078  -4.499   3.042
  280    QB   ALA  27           QB       ALA  27  -3.313  -4.249   2.083
  281    H    GLU  28           H        GLU  28  -5.155  -2.344   0.378
  282    HA   GLU  28           HA       GLU  28  -3.376  -0.439  -0.768
  283   1HB   GLU  28          2HB       GLU  28  -5.281  -1.927  -1.762
  284   2HB   GLU  28          1HB       GLU  28  -6.334  -0.572  -1.360
  285   1HG   GLU  28          2HG       GLU  28  -4.980   0.935  -2.725
  286   2HG   GLU  28          1HG       GLU  28  -3.832  -0.358  -3.076
  287    QB   GLU  28           QB       GLU  28  -5.807  -1.250  -1.561
  288    QG   GLU  28           QG       GLU  28  -4.406   0.289  -2.901
  289    H    LYS  29           H        LYS  29  -6.364  -0.008   1.136
  290    HA   LYS  29           HA       LYS  29  -6.459   2.881   0.915
  291   1HB   LYS  29          2HB       LYS  29  -7.551   0.872   2.915
  292   2HB   LYS  29          1HB       LYS  29  -7.986   2.581   2.915
  293   1HG   LYS  29          2HG       LYS  29  -8.314   1.685   0.241
  294   2HG   LYS  29          1HG       LYS  29  -9.033   0.445   1.268
  295   1HD   LYS  29          2HD       LYS  29 -10.843   1.854   1.135
  296   2HD   LYS  29          1HD       LYS  29 -10.025   2.620   2.497
  297   1HE   LYS  29          2HE       LYS  29  -9.261   4.407   1.209
  298   2HE   LYS  29          1HE       LYS  29  -9.296   3.465  -0.296
  299   1HZ   LYS  29          2HZ       LYS  29 -11.728   3.350  -0.083
  300   2HZ   LYS  29          1HZ       LYS  29 -11.653   4.369   1.274
  301   3HZ   LYS  29          3HZ       LYS  29 -11.180   4.949  -0.248
  302    QB   LYS  29           QB       LYS  29  -7.769   1.726   2.915
  303    QG   LYS  29           QG       LYS  29  -8.673   1.065   0.754
  304    QD   LYS  29           QD       LYS  29 -10.434   2.237   1.816
  305    QE   LYS  29           QE       LYS  29  -9.279   3.936   0.457
  306    QZ   LYS  29           QZ       LYS  29 -11.520   4.223   0.314
  307    H    ILE  30           H        ILE  30  -5.321   0.683   3.506
  308    HA   ILE  30           HA       ILE  30  -4.281   2.639   5.294
  309    HB   ILE  30           HB       ILE  30  -3.343  -0.185   4.651
  310   1HG1  ILE  30          2HG1      ILE  30  -5.073   0.599   6.982
  311   2HG1  ILE  30          1HG1      ILE  30  -5.810   0.362   5.397
  312   1HG2  ILE  30          2HG2      ILE  30  -1.701   1.158   5.969
  313   2HG2  ILE  30          1HG2      ILE  30  -2.954   1.457   7.173
  314   3HG2  ILE  30          3HG2      ILE  30  -2.373  -0.185   6.893
  315   1HD1  ILE  30          3HD1      ILE  30  -3.899  -1.737   6.278
  316   2HD1  ILE  30          2HD1      ILE  30  -5.430  -1.661   7.152
  317   3HD1  ILE  30          1HD1      ILE  30  -5.423  -1.896   5.404
  318    QG1  ILE  30           QG1      ILE  30  -5.441   0.480   6.190
  319    QG2  ILE  30           QG2      ILE  30  -2.343   0.810   6.679
  320    QD1  ILE  30           QD1      ILE  30  -4.917  -1.765   6.278
  321    H    PHE  31           H        PHE  31  -2.855   1.021   2.484
  322    HA   PHE  31           HA       PHE  31  -0.230   2.254   2.740
  323   1HB   PHE  31          2HB       PHE  31  -1.778   0.644   0.725
  324   2HB   PHE  31          1HB       PHE  31  -0.293   1.444   0.208
  325    HD1  PHE  31          1HD       PHE  31   1.546   1.263   2.360
  326    HD2  PHE  31          2HD       PHE  31  -1.411  -1.609   1.156
  327    HE1  PHE  31          1HE       PHE  31   2.882  -0.546   3.405
  328    HE2  PHE  31          2HE       PHE  31  -0.073  -3.421   2.199
  329   1HZ   PHE  31           HZ       PHE  31   2.072  -2.887   3.324
  330    QB   PHE  31           QB       PHE  31  -1.036   1.044   0.466
  331    QG   PHE  31           QD       PHE  31   0.068  -0.173   1.758
  332    QZ   PHE  31           QE       PHE  31   1.405  -1.984   2.802
  333    QZ   PHE  31           QR       PHE  31   1.003  -1.440   2.489
  334    H    LYS  32           H        LYS  32  -3.221   2.939   0.963
  335    HA   LYS  32           HA       LYS  32  -2.116   5.231  -0.435
  336   1HB   LYS  32          2HB       LYS  32  -4.820   3.952  -0.142
  337   2HB   LYS  32          1HB       LYS  32  -4.620   5.475  -1.005
  338   1HG   LYS  32          2HG       LYS  32  -2.988   4.453  -2.507
  339   2HG   LYS  32          1HG       LYS  32  -3.104   2.925  -1.633
  340   1HD   LYS  32          2HD       LYS  32  -4.506   2.795  -3.617
  341   2HD   LYS  32          1HD       LYS  32  -5.547   2.859  -2.195
  342   1HE   LYS  32          2HE       LYS  32  -6.579   4.666  -3.095
  343   2HE   LYS  32          1HE       LYS  32  -5.053   5.563  -2.964
  344   1HZ   LYS  32          3HZ       LYS  32  -4.335   4.526  -5.050
  345   2HZ   LYS  32          2HZ       LYS  32  -5.844   3.761  -5.193
  346   3HZ   LYS  32          1HZ       LYS  32  -5.738   5.454  -5.267
  347    QB   LYS  32           QB       LYS  32  -4.720   4.714  -0.574
  348    QG   LYS  32           QG       LYS  32  -3.046   3.689  -2.070
  349    QD   LYS  32           QD       LYS  32  -5.026   2.827  -2.906
  350    QE   LYS  32           QE       LYS  32  -5.816   5.115  -3.029
  351    QZ   LYS  32           QZ       LYS  32  -5.306   4.580  -5.170
  352    H    GLN  33           H        GLN  33  -2.709   4.932   2.764
  353    HA   GLN  33           HA       GLN  33  -3.919   7.689   3.016
  354   1HB   GLN  33          2HB       GLN  33  -5.100   5.696   4.083
  355   2HB   GLN  33          1HB       GLN  33  -3.661   5.457   5.074
  356   1HG   GLN  33          2HG       GLN  33  -5.056   6.766   6.451
  357   2HG   GLN  33          1HG       GLN  33  -3.965   7.950   5.732
  358   1HE2  GLN  33          2HE2      GLN  33  -7.779   7.770   4.180
  359   2HE2  GLN  33          1HE2      GLN  33  -7.032   6.334   4.693
  360    QB   GLN  33           QB       GLN  33  -4.381   5.577   4.579
  361    QG   GLN  33           QG       GLN  33  -4.511   7.358   6.091
  362    QE2  GLN  33           QE2      GLN  33  -7.406   7.052   4.436
  363    H    TYR  34           H        TYR  34  -1.628   5.353   4.211
  364    HA   TYR  34           HA       TYR  34   0.155   6.856   5.787
  365   1HB   TYR  34          2HB       TYR  34   0.053   4.434   5.509
  366   2HB   TYR  34          1HB       TYR  34   0.406   4.582   3.789
  367    HD1  TYR  34          1HD       TYR  34   2.726   5.665   3.171
  368    HD2  TYR  34          2HD       TYR  34   1.771   4.166   7.083
  369    HE1  TYR  34          1HE       TYR  34   5.143   5.538   3.717
  370    HE2  TYR  34          2HE       TYR  34   4.186   4.040   7.624
  371    HH   TYR  34           HH       TYR  34   6.279   4.960   6.925
  372    QB   TYR  34           QB       TYR  34   0.229   4.508   4.649
  373    QG   TYR  34           QD       TYR  34   2.248   4.915   5.127
  374    QZ   TYR  34           QE       TYR  34   4.664   4.789   5.671
  375    QR   TYR  34           QR       TYR  34   3.456   4.852   5.399
  376    H    ALA  35           H        ALA  35   0.016   6.349   2.261
  377    HA   ALA  35           HA       ALA  35   2.396   7.698   1.433
  378   1HB   ALA  35          1HB       ALA  35  -0.268   6.969   0.291
  379   2HB   ALA  35          3HB       ALA  35   0.704   8.137  -0.604
  380   3HB   ALA  35          2HB       ALA  35   1.346   6.526  -0.265
  381    QB   ALA  35           QB       ALA  35   0.594   7.211  -0.193
  382    H    ASN  36           H        ASN  36  -0.948   8.937   1.761
  383    HA   ASN  36           HA       ASN  36  -0.382  11.661   1.073
  384   1HB   ASN  36          2HB       ASN  36  -2.520  10.156   2.543
  385   2HB   ASN  36          1HB       ASN  36  -2.553  11.917   2.541
  386   1HD2  ASN  36          2HD2      ASN  36  -2.880  10.061  -1.125
  387   2HD2  ASN  36          1HD2      ASN  36  -1.888   9.361   0.062
  388    QB   ASN  36           QB       ASN  36  -2.536  11.037   2.542
  389    QD2  ASN  36           QD2      ASN  36  -2.384   9.711  -0.531
  390    H    ASP  37           H        ASP  37  -0.668  10.059   4.256
  391    HA   ASP  37           HA       ASP  37  -0.193  12.290   5.922
  392   1HB   ASP  37          2HB       ASP  37  -0.649   9.622   6.222
  393   2HB   ASP  37          1HB       ASP  37   1.045   9.715   6.701
  394    QB   ASP  37           QB       ASP  37   0.198   9.668   6.461
  395    H    ASN  38           H        ASN  38   2.030  10.527   3.935
  396    HA   ASN  38           HA       ASN  38   4.361  11.816   5.199
  397   1HB   ASN  38          2HB       ASN  38   4.082   9.288   4.667
  398   2HB   ASN  38          1HB       ASN  38   4.387   9.765   2.997
  399   1HD2  ASN  38          2HD2      ASN  38   7.844  10.349   3.510
  400   2HD2  ASN  38          1HD2      ASN  38   6.537  10.477   2.433
  401    QB   ASN  38           QB       ASN  38   4.235   9.527   3.832
  402    QD2  ASN  38           QD2      ASN  38   7.191  10.413   2.972
  403    H    GLY  39           H        GLY  39   2.503  11.653   2.223
  404   1HA   GLY  39          2HA       GLY  39   2.453  13.697   0.810
  405   2HA   GLY  39          1HA       GLY  39   4.182  13.865   1.113
  406    QA   GLY  39           QA       GLY  39   3.318  13.781   0.961
  407    H    ILE  40           H        ILE  40   2.167  11.075   0.094
  408    HA   ILE  40           HA       ILE  40   4.050  10.727  -2.210
  409    HB   ILE  40           HB       ILE  40   2.875   8.955  -0.147
  410   1HG1  ILE  40          2HG1      ILE  40   5.030   7.722  -0.764
  411   2HG1  ILE  40          1HG1      ILE  40   5.370   9.089  -1.821
  412   1HG2  ILE  40          3HG2      ILE  40   1.771   8.097  -2.256
  413   2HG2  ILE  40          2HG2      ILE  40   3.386   7.827  -2.907
  414   3HG2  ILE  40          1HG2      ILE  40   2.855   6.950  -1.470
  415   1HD1  ILE  40          2HD1      ILE  40   4.564   9.566   1.025
  416   2HD1  ILE  40          1HD1      ILE  40   6.241   9.154   0.646
  417   3HD1  ILE  40          3HD1      ILE  40   5.501  10.599  -0.060
  418    QG1  ILE  40           QG1      ILE  40   5.200   8.405  -1.292
  419    QG2  ILE  40           QG2      ILE  40   2.670   7.625  -2.211
  420    QD1  ILE  40           QD1      ILE  40   5.435   9.773   0.537
  421    H    ASP  41           H        ASP  41   3.195  10.773  -4.186
  422    HA   ASP  41           HA       ASP  41   0.429  10.048  -4.791
  423   1HB   ASP  41          2HB       ASP  41   0.709  12.489  -3.668
  424   2HB   ASP  41          1HB       ASP  41   0.980  12.917  -5.359
  425    QB   ASP  41           QB       ASP  41   0.845  12.703  -4.514
  426    H    GLY  42           H        GLY  42   1.292   8.817  -6.511
  427   1HA   GLY  42          2HA       GLY  42   2.022  10.333  -8.914
  428   2HA   GLY  42          1HA       GLY  42   3.299   9.281  -8.300
  429    QA   GLY  42           QA       GLY  42   2.661   9.807  -8.607
  430    H    GLU  43           H        GLU  43   2.145   6.995  -7.586
  431    HA   GLU  43           HA       GLU  43   0.234   6.125  -9.702
  432   1HB   GLU  43          2HB       GLU  43   3.043   5.048  -9.266
  433   2HB   GLU  43          1HB       GLU  43   1.843   4.300 -10.322
  434   1HG   GLU  43          2HG       GLU  43   1.672   6.550 -11.514
  435   2HG   GLU  43          1HG       GLU  43   3.112   7.029 -10.617
  436    QB   GLU  43           QB       GLU  43   2.443   4.674  -9.794
  437    QG   GLU  43           QG       GLU  43   2.392   6.789 -11.066
  438    H    TRP  44           H        TRP  44  -0.380   3.764  -9.317
  439    HA   TRP  44           HA       TRP  44   0.131   2.603  -6.650
  440   1HB   TRP  44          2HB       TRP  44  -2.396   4.062  -7.412
  441   2HB   TRP  44          1HB       TRP  44  -2.506   2.636  -6.370
  442    HD1  TRP  44           HD       TRP  44  -1.552   6.269  -6.307
  443    HE1  TRP  44          1HE       TRP  44  -0.731   6.875  -3.934
  444    HE3  TRP  44          3HE       TRP  44  -1.267   1.608  -4.308
  445    HZ2  TRP  44          2HZ       TRP  44  -0.038   5.531  -1.498
  446    HZ3  TRP  44          3HZ       TRP  44  -0.522   1.286  -1.953
  447    HH2  TRP  44           HH       TRP  44   0.098   3.244  -0.560
  448    QB   TRP  44           QB       TRP  44  -2.451   3.349  -6.891
  449    H    THR  45           H        THR  45   0.254   0.452  -7.097
  450    HA   THR  45           HA       THR  45  -1.782  -0.778  -8.894
  451    HB   THR  45           HB       THR  45  -0.127  -1.798 -10.286
  452    HG1  THR  45          1HG       THR  45   1.683  -2.315  -9.411
  453   1HG2  THR  45          1HG2      THR  45  -0.526   0.602 -10.776
  454   2HG2  THR  45          3HG2      THR  45   0.835   1.018  -9.734
  455   3HG2  THR  45          2HG2      THR  45   1.107   0.099 -11.218
  456    QG2  THR  45           QG2      THR  45   0.472   0.573 -10.576
  457    H    TYR  46           H        TYR  46  -2.460  -2.680  -8.031
  458    HA   TYR  46           HA       TYR  46  -1.046  -3.736  -5.645
  459   1HB   TYR  46          2HB       TYR  46  -3.412  -3.348  -5.438
  460   2HB   TYR  46          1HB       TYR  46  -3.747  -4.231  -6.933
  461    HD1  TYR  46          2HD       TYR  46  -1.779  -4.881  -3.799
  462    HD2  TYR  46          1HD       TYR  46  -4.703  -6.334  -6.587
  463    HE1  TYR  46          2HE       TYR  46  -1.944  -6.996  -2.520
  464    HE2  TYR  46          1HE       TYR  46  -4.862  -8.457  -5.310
  465    HH   TYR  46           HH       TYR  46  -2.895  -9.671  -3.510
  466    QB   TYR  46           QB       TYR  46  -3.580  -3.790  -6.185
  467    QG   TYR  46           QD       TYR  46  -3.241  -5.608  -5.193
  468    QZ   TYR  46           QE       TYR  46  -3.403  -7.726  -3.915
  469    QR   TYR  46           QR       TYR  46  -3.322  -6.667  -4.554
  470    H    ASP  47           H        ASP  47  -0.174  -5.823  -5.576
  471    HA   ASP  47           HA       ASP  47   0.029  -7.261  -8.199
  472   1HB   ASP  47          2HB       ASP  47   2.019  -6.139  -6.806
  473   2HB   ASP  47          1HB       ASP  47   1.944  -7.670  -5.935
  474    QB   ASP  47           QB       ASP  47   1.982  -6.904  -6.370
  475    H    ASP  48           H        ASP  48  -1.666  -8.748  -7.982
  476    HA   ASP  48           HA       ASP  48  -2.332 -10.112  -5.525
  477   1HB   ASP  48          2HB       ASP  48  -3.765 -11.450  -7.053
  478   2HB   ASP  48          1HB       ASP  48  -3.905  -9.721  -7.369
  479    QB   ASP  48           QB       ASP  48  -3.835 -10.585  -7.211
  480    H    ALA  49           H        ALA  49   0.343 -10.547  -7.542
  481    HA   ALA  49           HA       ALA  49   0.530 -13.474  -7.229
  482   1HB   ALA  49          3HB       ALA  49   1.312 -11.710  -9.144
  483   2HB   ALA  49          2HB       ALA  49   2.802 -11.821  -8.205
  484   3HB   ALA  49          1HB       ALA  49   2.091 -13.275  -8.907
  485    QB   ALA  49           QB       ALA  49   2.068 -12.269  -8.752
  486    H    THR  50           H        THR  50   1.795 -10.504  -5.822
  487    HA   THR  50           HA       THR  50   3.330 -12.151  -3.840
  488    HB   THR  50           HB       THR  50   4.951 -10.260  -3.839
  489    HG1  THR  50          1HG       THR  50   4.686  -8.632  -5.346
  490   1HG2  THR  50          3HG2      THR  50   4.872 -12.276  -5.564
  491   2HG2  THR  50          2HG2      THR  50   4.603 -10.973  -6.721
  492   3HG2  THR  50          1HG2      THR  50   6.064 -10.986  -5.733
  493    QG2  THR  50           QG2      THR  50   5.180 -11.412  -6.006
  494    H    LYS  51           H        LYS  51   0.590 -10.393  -4.153
  495    HA   LYS  51           HA       LYS  51  -0.744  -9.123  -2.680
  496   1HB   LYS  51          2HB       LYS  51   1.163 -10.503  -0.761
  497   2HB   LYS  51          1HB       LYS  51  -0.322  -9.691  -0.269
  498   1HG   LYS  51          2HG       LYS  51  -0.688 -11.617  -2.473
  499   2HG   LYS  51          1HG       LYS  51  -0.146 -12.350  -0.964
  500   1HD   LYS  51          2HD       LYS  51  -2.028 -10.769   0.064
  501   2HD   LYS  51          1HD       LYS  51  -2.696 -10.911  -1.562
  502   1HE   LYS  51          2HE       LYS  51  -2.993 -13.237  -1.377
  503   2HE   LYS  51          1HE       LYS  51  -1.805 -13.377  -0.066
  504   1HZ   LYS  51          3HZ       LYS  51  -3.295 -11.919   1.272
  505   2HZ   LYS  51          2HZ       LYS  51  -4.470 -12.072   0.055
  506   3HZ   LYS  51          1HZ       LYS  51  -3.958 -13.440   0.922
  507    QB   LYS  51           QB       LYS  51   0.421 -10.097  -0.515
  508    QG   LYS  51           QG       LYS  51  -0.417 -11.983  -1.719
  509    QD   LYS  51           QD       LYS  51  -2.362 -10.840  -0.749
  510    QE   LYS  51           QE       LYS  51  -2.399 -13.307  -0.722
  511    QZ   LYS  51           QZ       LYS  51  -3.908 -12.477   0.750
  512    H    THR  52           H        THR  52   1.508  -7.757  -3.874
  513    HA   THR  52           HA       THR  52   2.143  -5.786  -1.691
  514    HB   THR  52           HB       THR  52   3.865  -6.654  -4.035
  515    HG1  THR  52          1HG       THR  52   3.694  -8.304  -2.534
  516   1HG2  THR  52          2HG2      THR  52   4.096  -4.603  -1.897
  517   2HG2  THR  52          1HG2      THR  52   5.551  -5.532  -2.259
  518   3HG2  THR  52          3HG2      THR  52   4.757  -4.605  -3.532
  519    QG2  THR  52           QG2      THR  52   4.801  -4.913  -2.563
  520    H    PHE  53           H        PHE  53   1.946  -3.600  -2.271
  521    HA   PHE  53           HA       PHE  53   0.590  -3.058  -4.854
  522   1HB   PHE  53          2HB       PHE  53   0.979  -1.540  -2.265
  523   2HB   PHE  53          1HB       PHE  53   0.173  -0.836  -3.666
  524    HD1  PHE  53          2HD       PHE  53   0.057  -3.712  -1.284
  525    HD2  PHE  53          1HD       PHE  53  -2.111  -1.331  -4.141
  526    HE1  PHE  53          2HE       PHE  53  -2.060  -4.844  -0.630
  527    HE2  PHE  53          1HE       PHE  53  -4.210  -2.470  -3.485
  528   1HZ   PHE  53           HZ       PHE  53  -4.185  -4.221  -1.735
  529    QB   PHE  53           QB       PHE  53   0.576  -1.188  -2.965
  530    QG   PHE  53           QD       PHE  53  -1.027  -2.521  -2.713
  531    QZ   PHE  53           QE       PHE  53  -3.135  -3.657  -2.058
  532    QZ   PHE  53           QR       PHE  53  -2.502  -3.316  -2.255
  533    H    THR  54           H        THR  54   1.304  -0.456  -5.450
  534    HA   THR  54           HA       THR  54   4.253  -0.200  -5.328
  535    HB   THR  54           HB       THR  54   2.971  -0.148  -8.043
  536    HG1  THR  54          1HG       THR  54   2.291  -2.121  -7.293
  537   1HG2  THR  54          2HG2      THR  54   5.407   0.464  -7.410
  538   2HG2  THR  54          1HG2      THR  54   5.646  -1.275  -7.241
  539   3HG2  THR  54          3HG2      THR  54   5.155  -0.599  -8.795
  540    QG2  THR  54           QG2      THR  54   5.402  -0.470  -7.815
  541    H    VAL  55           H        VAL  55   4.076   1.849  -4.436
  542    HA   VAL  55           HA       VAL  55   2.405   3.819  -5.926
  543    HB   VAL  55           HB       VAL  55   1.596   3.381  -3.684
  544   1HG1  VAL  55          1HG1      VAL  55   4.476   3.878  -2.909
  545   2HG1  VAL  55          3HG1      VAL  55   3.156   3.925  -1.736
  546   3HG1  VAL  55          2HG1      VAL  55   3.498   2.434  -2.618
  547   1HG2  VAL  55          1HG2      VAL  55   3.108   6.006  -3.873
  548   2HG2  VAL  55          3HG2      VAL  55   1.432   5.713  -4.334
  549   3HG2  VAL  55          2HG2      VAL  55   1.904   5.650  -2.636
  550    QG1  VAL  55           QG1      VAL  55   3.710   3.412  -2.421
  551    QG2  VAL  55           QG2      VAL  55   2.148   5.790  -3.614
  552    QQG  VAL  55           QQG      VAL  55   2.929   4.601  -3.018
  553    H    THR  56           H        THR  56   3.300   5.755  -6.545
  554    HA   THR  56           HA       THR  56   6.116   6.332  -5.749
  555    HB   THR  56           HB       THR  56   5.824   4.966  -7.927
  556    HG1  THR  56          1HG       THR  56   7.430   6.307  -8.953
  557   1HG2  THR  56          2HG2      THR  56   3.994   6.888  -8.587
  558   2HG2  THR  56          1HG2      THR  56   5.427   7.453  -9.443
  559   3HG2  THR  56          3HG2      THR  56   4.806   5.829  -9.743
  560    QG2  THR  56           QG2      THR  56   4.742   6.723  -9.257
  561    H    GLU  57           H        GLU  57   6.640   8.619  -6.973
  562    HA   GLU  57           HA       GLU  57   4.259  10.390  -6.486
  563   1HB   GLU  57          2HB       GLU  57   6.101  10.352  -4.738
  564   2HB   GLU  57          1HB       GLU  57   7.185  11.006  -5.966
  565   1HG   GLU  57          2HG       GLU  57   4.561  12.367  -5.447
  566   2HG   GLU  57          1HG       GLU  57   5.915  12.648  -4.352
  567    QB   GLU  57           QB       GLU  57   6.643  10.679  -5.352
  568    QG   GLU  57           QG       GLU  57   5.238  12.508  -4.899
   
  No H/Q in entry =         568
  Start of MODEL   18
    1   1H    MET   1          2HT       MET   1  -5.514 -13.702   8.530
    2   2H    MET   1          1HT       MET   1  -5.123 -15.287   8.062
    3   3H    MET   1          3HT       MET   1  -5.128 -14.867   9.705
    4    HA   MET   1           HA       MET   1  -3.210 -13.501   9.470
    5   1HB   MET   1          2HB       MET   1  -3.307 -16.190   9.280
    6   2HB   MET   1          1HB       MET   1  -2.507 -15.830   7.748
    7   1HG   MET   1          2HG       MET   1  -1.074 -14.210   9.337
    8   2HG   MET   1          1HG       MET   1  -1.537 -15.415  10.538
    9   1HE   MET   1          1HE       MET   1  -0.873 -17.279  10.925
   10   2HE   MET   1          3HE       MET   1  -0.952 -18.470   9.620
   11   3HE   MET   1          2HE       MET   1   0.596 -18.067  10.356
   12    QB   MET   1           QB       MET   1  -2.907 -16.010   8.514
   13    QG   MET   1           QG       MET   1  -1.306 -14.813   9.937
   14    QE   MET   1           QE       MET   1  -0.409 -17.939  10.301
   15    H    THR   2           H        THR   2  -3.299 -11.652   8.140
   16    HA   THR   2           HA       THR   2  -2.558 -12.085   5.268
   17    HB   THR   2           HB       THR   2  -4.548 -10.090   6.401
   18    HG1  THR   2          1HG       THR   2  -6.019 -11.513   5.933
   19   1HG2  THR   2          1HG2      THR   2  -3.257 -10.465   3.759
   20   2HG2  THR   2          3HG2      THR   2  -4.998 -10.190   3.725
   21   3HG2  THR   2          2HG2      THR   2  -3.935  -9.006   4.483
   22    QG2  THR   2           QG2      THR   2  -4.064  -9.887   3.989
   23    H    THR   3           H        THR   3  -1.035 -10.618   4.491
   24    HA   THR   3           HA       THR   3  -0.310  -8.224   6.072
   25    HB   THR   3           HB       THR   3   1.719 -10.387   5.448
   26    HG1  THR   3          1HG       THR   3   0.296  -9.849   7.841
   27   1HG2  THR   3          1HG2      THR   3   2.110  -7.754   6.028
   28   2HG2  THR   3          3HG2      THR   3   2.088  -8.445   7.651
   29   3HG2  THR   3          2HG2      THR   3   3.248  -9.031   6.461
   30    QG2  THR   3           QG2      THR   3   2.482  -8.410   6.713
   31    H    PHE   4           H        PHE   4  -0.637  -6.875   4.305
   32    HA   PHE   4           HA       PHE   4   0.509  -7.597   1.668
   33   1HB   PHE   4          2HB       PHE   4  -1.311  -5.451   2.766
   34   2HB   PHE   4          1HB       PHE   4  -0.697  -5.382   1.113
   35    HD1  PHE   4          1HD       PHE   4  -1.064  -7.420  -0.397
   36    HD2  PHE   4          2HD       PHE   4  -3.157  -6.826   3.307
   37    HE1  PHE   4          1HE       PHE   4  -2.787  -9.054  -1.109
   38    HE2  PHE   4          2HE       PHE   4  -4.880  -8.459   2.590
   39   1HZ   PHE   4           HZ       PHE   4  -4.694  -9.575   0.386
   40    QB   PHE   4           QB       PHE   4  -1.004  -5.416   1.939
   41    QG   PHE   4           QD       PHE   4  -2.111  -7.123   1.455
   42    QZ   PHE   4           QE       PHE   4  -3.833  -8.756   0.741
   43    QZ   PHE   4           QR       PHE   4  -3.316  -8.267   0.956
   44    H    LYS   5           H        LYS   5   2.004  -6.185   0.585
   45    HA   LYS   5           HA       LYS   5   3.624  -4.482   2.450
   46   1HB   LYS   5          2HB       LYS   5   4.401  -5.944  -0.104
   47   2HB   LYS   5          1HB       LYS   5   5.505  -5.083   0.968
   48   1HG   LYS   5          2HG       LYS   5   4.836  -6.641   2.816
   49   2HG   LYS   5          1HG       LYS   5   3.880  -7.552   1.649
   50   1HD   LYS   5          2HD       LYS   5   6.214  -7.467   0.308
   51   2HD   LYS   5          1HD       LYS   5   6.835  -7.386   1.956
   52   1HE   LYS   5          2HE       LYS   5   5.224  -9.385   2.428
   53   2HE   LYS   5          1HE       LYS   5   5.222  -9.583   0.665
   54   1HZ   LYS   5          3HZ       LYS   5   7.688  -9.302   2.294
   55   2HZ   LYS   5          2HZ       LYS   5   7.049 -10.799   1.806
   56   3HZ   LYS   5          1HZ       LYS   5   7.590  -9.683   0.644
   57    QB   LYS   5           QB       LYS   5   4.953  -5.514   0.432
   58    QG   LYS   5           QG       LYS   5   4.358  -7.096   2.233
   59    QD   LYS   5           QD       LYS   5   6.525  -7.427   1.132
   60    QE   LYS   5           QE       LYS   5   5.223  -9.484   1.546
   61    QZ   LYS   5           QZ       LYS   5   7.442  -9.928   1.581
   62    H    LEU   6           H        LEU   6   5.063  -2.991   0.688
   63    HA   LEU   6           HA       LEU   6   3.406  -1.896  -1.468
   64   1HB   LEU   6          2HB       LEU   6   2.299  -0.993   0.516
   65   2HB   LEU   6          1HB       LEU   6   3.838  -0.411   1.147
   66    HG   LEU   6           HG       LEU   6   3.995   0.957  -1.050
   67   1HD1  LEU   6          2HD1      LEU   6   1.109   0.067  -1.051
   68   2HD1  LEU   6          1HD1      LEU   6   1.628   1.549  -1.856
   69   3HD1  LEU   6          3HD1      LEU   6   2.274  -0.008  -2.372
   70   1HD2  LEU   6          2HD2      LEU   6   3.218   1.629   1.416
   71   2HD2  LEU   6          1HD2      LEU   6   3.124   2.776   0.080
   72   3HD2  LEU   6          3HD2      LEU   6   1.682   1.898   0.593
   73    QB   LEU   6           QB       LEU   6   3.068  -0.702   0.832
   74    QD1  LEU   6           QD1      LEU   6   1.670   0.536  -1.760
   75    QD2  LEU   6           QD2      LEU   6   2.675   2.101   0.696
   76    QQD  LEU   6           QQD      LEU   6   2.173   1.318  -0.532
   77    H    ILE   7           H        ILE   7   5.092  -1.761  -2.917
   78    HA   ILE   7           HA       ILE   7   7.769  -0.845  -2.078
   79    HB   ILE   7           HB       ILE   7   6.553  -1.597  -4.765
   80   1HG1  ILE   7          2HG1      ILE   7   8.482  -3.261  -3.157
   81   2HG1  ILE   7          1HG1      ILE   7   6.753  -3.332  -2.814
   82   1HG2  ILE   7          1HG2      ILE   7   9.366  -0.959  -3.873
   83   2HG2  ILE   7          3HG2      ILE   7   9.062  -1.976  -5.282
   84   3HG2  ILE   7          2HG2      ILE   7   8.480  -0.311  -5.253
   85   1HD1  ILE   7          2HD1      ILE   7   7.630  -3.567  -5.664
   86   2HD1  ILE   7          1HD1      ILE   7   7.862  -4.959  -4.605
   87   3HD1  ILE   7          3HD1      ILE   7   6.245  -4.299  -4.853
   88    QG1  ILE   7           QG1      ILE   7   7.618  -3.296  -2.986
   89    QG2  ILE   7           QG2      ILE   7   8.969  -1.082  -4.803
   90    QD1  ILE   7           QD1      ILE   7   7.246  -4.275  -5.041
   91    H    ILE   8           H        ILE   8   8.162   1.342  -1.992
   92    HA   ILE   8           HA       ILE   8   6.270   3.184  -3.281
   93    HB   ILE   8           HB       ILE   8   8.798   3.925  -1.809
   94   1HG1  ILE   8          2HG1      ILE   8   7.437   2.253  -0.458
   95   2HG1  ILE   8          1HG1      ILE   8   7.652   3.812   0.308
   96   1HG2  ILE   8          3HG2      ILE   8   6.155   5.236  -2.430
   97   2HG2  ILE   8          2HG2      ILE   8   7.188   5.837  -1.126
   98   3HG2  ILE   8          1HG2      ILE   8   7.788   5.815  -2.785
   99   1HD1  ILE   8          3HD1      ILE   8   5.287   4.134  -1.113
  100   2HD1  ILE   8          2HD1      ILE   8   5.193   2.472  -0.545
  101   3HD1  ILE   8          1HD1      ILE   8   5.413   3.788   0.609
  102    QG1  ILE   8           QG1      ILE   8   7.545   3.032  -0.075
  103    QG2  ILE   8           QG2      ILE   8   7.044   5.629  -2.114
  104    QD1  ILE   8           QD1      ILE   8   5.298   3.465  -0.350
  105    H    ASN   9           H        ASN   9   6.608   3.503  -5.462
  106    HA   ASN   9           HA       ASN   9   9.385   3.527  -6.532
  107   1HB   ASN   9          2HB       ASN   9   7.573   2.164  -7.567
  108   2HB   ASN   9          1HB       ASN   9   6.671   3.645  -7.886
  109   1HD2  ASN   9          2HD2      ASN   9   8.475   4.360 -10.822
  110   2HD2  ASN   9          1HD2      ASN   9   7.123   4.684  -9.848
  111    QB   ASN   9           QB       ASN   9   7.122   2.905  -7.727
  112    QD2  ASN   9           QD2      ASN   9   7.799   4.522 -10.335
  113    H    GLY  10           H        GLY  10   8.973   5.744  -4.948
  114   1HA   GLY  10          2HA       GLY  10   8.717   7.933  -6.969
  115   2HA   GLY  10          1HA       GLY  10   7.974   8.091  -5.375
  116    QA   GLY  10           QA       GLY  10   8.346   8.012  -6.172
  117    H    LYS  11           H        LYS  11   9.179   9.244  -3.965
  118    HA   LYS  11           HA       LYS  11  12.067   8.779  -3.693
  119   1HB   LYS  11          2HB       LYS  11  12.631  11.139  -4.256
  120   2HB   LYS  11          1HB       LYS  11  11.948  10.279  -5.634
  121   1HG   LYS  11          2HG       LYS  11   9.770  11.422  -4.173
  122   2HG   LYS  11          1HG       LYS  11  10.989  12.678  -4.376
  123   1HD   LYS  11          2HD       LYS  11  10.112  10.941  -6.685
  124   2HD   LYS  11          1HD       LYS  11   9.252  12.421  -6.261
  125   1HE   LYS  11          2HE       LYS  11  11.767  13.396  -6.269
  126   2HE   LYS  11          1HE       LYS  11  11.961  12.091  -7.457
  127   1HZ   LYS  11          1HZ       LYS  11   9.860  12.893  -8.494
  128   2HZ   LYS  11          3HZ       LYS  11   9.918  14.246  -7.476
  129   3HZ   LYS  11          2HZ       LYS  11  11.151  13.991  -8.617
  130    QB   LYS  11           QB       LYS  11  12.290  10.709  -4.945
  131    QG   LYS  11           QG       LYS  11  10.380  12.050  -4.275
  132    QD   LYS  11           QD       LYS  11   9.682  11.681  -6.473
  133    QE   LYS  11           QE       LYS  11  11.864  12.744  -6.863
  134    QZ   LYS  11           QZ       LYS  11  10.310  13.710  -8.196
  135    H    THR  12           H        THR  12  10.014   8.427  -1.819
  136    HA   THR  12           HA       THR  12  10.632  10.601   0.147
  137    HB   THR  12           HB       THR  12   7.926   9.282  -0.125
  138    HG1  THR  12          1HG       THR  12   7.400  11.255  -1.284
  139   1HG2  THR  12          1HG2      THR  12   8.946  10.839   1.847
  140   2HG2  THR  12          3HG2      THR  12   8.294  12.082   0.779
  141   3HG2  THR  12          2HG2      THR  12   7.235  10.823   1.415
  142    QG2  THR  12           QG2      THR  12   8.158  11.248   1.347
  143    H    LEU  13           H        LEU  13   8.827   7.503   0.008
  144    HA   LEU  13           HA       LEU  13   9.964   6.712   2.629
  145   1HB   LEU  13          2HB       LEU  13   7.789   5.784   0.767
  146   2HB   LEU  13          1HB       LEU  13   8.345   4.725   2.062
  147    HG   LEU  13           HG       LEU  13   7.529   7.584   2.575
  148   1HD1  LEU  13          3HD1      LEU  13   5.856   5.181   2.071
  149   2HD1  LEU  13          2HD1      LEU  13   5.432   6.128   3.500
  150   3HD1  LEU  13          1HD1      LEU  13   5.453   6.892   1.913
  151   1HD2  LEU  13          2HD2      LEU  13   8.158   5.138   4.194
  152   2HD2  LEU  13          1HD2      LEU  13   8.647   6.810   4.464
  153   3HD2  LEU  13          3HD2      LEU  13   7.001   6.302   4.837
  154    QB   LEU  13           QB       LEU  13   8.067   5.254   1.414
  155    QD1  LEU  13           QD1      LEU  13   5.580   6.067   2.495
  156    QD2  LEU  13           QD2      LEU  13   7.936   6.083   4.498
  157    QQD  LEU  13           QQD      LEU  13   6.758   6.075   3.496
  158    H    LYS  14           H        LYS  14   9.671   5.292  -0.651
  159    HA   LYS  14           HA       LYS  14  10.987   3.673  -1.760
  160   1HB   LYS  14          2HB       LYS  14  12.894   5.325  -0.111
  161   2HB   LYS  14          1HB       LYS  14  13.497   4.010  -1.121
  162   1HG   LYS  14          2HG       LYS  14  11.589   5.984  -2.323
  163   2HG   LYS  14          1HG       LYS  14  13.274   6.459  -2.105
  164   1HD   LYS  14          2HD       LYS  14  12.681   3.795  -3.344
  165   2HD   LYS  14          1HD       LYS  14  12.499   5.247  -4.330
  166   1HE   LYS  14          2HE       LYS  14  14.945   5.643  -3.033
  167   2HE   LYS  14          1HE       LYS  14  14.952   3.918  -3.449
  168   1HZ   LYS  14          3HZ       LYS  14  14.231   6.122  -5.309
  169   2HZ   LYS  14          2HZ       LYS  14  15.718   5.302  -5.305
  170   3HZ   LYS  14          1HZ       LYS  14  14.288   4.471  -5.693
  171    QB   LYS  14           QB       LYS  14  13.195   4.668  -0.616
  172    QG   LYS  14           QG       LYS  14  12.431   6.221  -2.214
  173    QD   LYS  14           QD       LYS  14  12.590   4.521  -3.837
  174    QE   LYS  14           QE       LYS  14  14.949   4.780  -3.241
  175    QZ   LYS  14           QZ       LYS  14  14.746   5.298  -5.436
  176    H    GLY  15           H        GLY  15   9.882   1.913  -0.536
  177   1HA   GLY  15          2HA       GLY  15  11.667   0.029   0.584
  178   2HA   GLY  15          1HA       GLY  15  10.898   0.870   1.930
  179    QA   GLY  15           QA       GLY  15  11.283   0.450   1.257
  180    H    GLU  16           H        GLU  16  10.164  -1.536   2.157
  181    HA   GLU  16           HA       GLU  16   7.533  -1.839   0.744
  182   1HB   GLU  16          2HB       GLU  16   9.730  -3.817   1.384
  183   2HB   GLU  16          1HB       GLU  16   8.090  -4.343   0.998
  184   1HG   GLU  16          2HG       GLU  16   8.335  -2.810  -1.093
  185   2HG   GLU  16          1HG       GLU  16  10.065  -2.898  -0.759
  186    QB   GLU  16           QB       GLU  16   8.910  -4.080   1.191
  187    QG   GLU  16           QG       GLU  16   9.200  -2.854  -0.926
  188    H    ILE  17           H        ILE  17   7.092  -0.559   2.934
  189    HA   ILE  17           HA       ILE  17   7.234  -1.867   5.466
  190    HB   ILE  17           HB       ILE  17   6.774   0.529   5.106
  191   1HG1  ILE  17          2HG1      ILE  17   4.246  -0.376   6.391
  192   2HG1  ILE  17          1HG1      ILE  17   5.746  -1.013   7.068
  193   1HG2  ILE  17          2HG2      ILE  17   4.921  -0.407   3.223
  194   2HG2  ILE  17          1HG2      ILE  17   3.932   0.289   4.506
  195   3HG2  ILE  17          3HG2      ILE  17   5.164   1.267   3.712
  196   1HD1  ILE  17          2HD1      ILE  17   5.361   1.935   6.526
  197   2HD1  ILE  17          1HD1      ILE  17   4.896   1.195   8.059
  198   3HD1  ILE  17          3HD1      ILE  17   6.580   1.164   7.540
  199    QG1  ILE  17           QG1      ILE  17   4.996  -0.695   6.730
  200    QG2  ILE  17           QG2      ILE  17   4.672   0.383   3.814
  201    QD1  ILE  17           QD1      ILE  17   5.612   1.432   7.375
  202    H    THR  18           H        THR  18   6.274  -3.761   6.025
  203    HA   THR  18           HA       THR  18   3.979  -4.807   4.486
  204    HB   THR  18           HB       THR  18   4.462  -6.834   5.813
  205    HG1  THR  18          1HG       THR  18   5.457  -6.654   7.636
  206   1HG2  THR  18          3HG2      THR  18   6.151  -5.649   3.949
  207   2HG2  THR  18          2HG2      THR  18   7.234  -6.081   5.271
  208   3HG2  THR  18          1HG2      THR  18   6.240  -7.320   4.506
  209    QG2  THR  18           QG2      THR  18   6.542  -6.350   4.575
  210    H    ILE  19           H        ILE  19   1.895  -5.005   5.304
  211    HA   ILE  19           HA       ILE  19   1.407  -4.402   8.179
  212    HB   ILE  19           HB       ILE  19  -0.297  -2.713   7.542
  213   1HG1  ILE  19          2HG1      ILE  19   0.210  -1.916   5.008
  214   2HG1  ILE  19          1HG1      ILE  19   0.480  -3.650   4.826
  215   1HG2  ILE  19          2HG2      ILE  19   2.196  -2.196   7.944
  216   2HG2  ILE  19          1HG2      ILE  19   2.311  -2.007   6.194
  217   3HG2  ILE  19          3HG2      ILE  19   1.240  -0.960   7.126
  218   1HD1  ILE  19          3HD1      ILE  19  -1.800  -3.749   6.235
  219   2HD1  ILE  19          2HD1      ILE  19  -2.035  -2.177   5.473
  220   3HD1  ILE  19          1HD1      ILE  19  -1.799  -3.615   4.477
  221    QG1  ILE  19           QG1      ILE  19   0.345  -2.783   4.917
  222    QG2  ILE  19           QG2      ILE  19   1.916  -1.721   7.088
  223    QD1  ILE  19           QD1      ILE  19  -1.878  -3.180   5.395
  224    H    GLU  20           H        GLU  20  -0.560  -5.281   8.951
  225    HA   GLU  20           HA       GLU  20  -1.681  -7.446   7.276
  226   1HB   GLU  20          2HB       GLU  20  -2.702  -8.119   9.437
  227   2HB   GLU  20          1HB       GLU  20  -0.965  -7.863   9.593
  228   1HG   GLU  20          2HG       GLU  20  -2.508  -5.411  10.059
  229   2HG   GLU  20          1HG       GLU  20  -2.929  -6.699  11.186
  230    QB   GLU  20           QB       GLU  20  -1.834  -7.991   9.515
  231    QG   GLU  20           QG       GLU  20  -2.719  -6.055  10.622
  232    H    ALA  21           H        ALA  21  -3.990  -7.671   6.956
  233    HA   ALA  21           HA       ALA  21  -5.847  -5.543   7.683
  234   1HB   ALA  21          2HB       ALA  21  -4.525  -5.692   4.977
  235   2HB   ALA  21          1HB       ALA  21  -6.146  -5.013   5.136
  236   3HB   ALA  21          3HB       ALA  21  -4.795  -4.277   5.998
  237    QB   ALA  21           QB       ALA  21  -5.155  -4.994   5.370
  238    H    VAL  22           H        VAL  22  -8.030  -5.994   6.769
  239    HA   VAL  22           HA       VAL  22  -8.848  -8.679   6.898
  240    HB   VAL  22           HB       VAL  22 -10.300  -6.698   7.129
  241   1HG1  VAL  22          2HG1      VAL  22  -9.092  -5.534   5.139
  242   2HG1  VAL  22          1HG1      VAL  22 -10.257  -6.391   4.130
  243   3HG1  VAL  22          3HG1      VAL  22 -10.819  -5.247   5.348
  244   1HG2  VAL  22          1HG2      VAL  22 -11.080  -8.561   4.864
  245   2HG2  VAL  22          3HG2      VAL  22 -11.401  -8.802   6.582
  246   3HG2  VAL  22          2HG2      VAL  22 -12.203  -7.496   5.708
  247    QG1  VAL  22           QG1      VAL  22 -10.056  -5.724   4.872
  248    QG2  VAL  22           QG2      VAL  22 -11.561  -8.286   5.718
  249    QQG  VAL  22           QQG      VAL  22 -10.809  -7.005   5.295
  250    H    ASP  23           H        ASP  23  -7.919  -6.744   4.087
  251    HA   ASP  23           HA       ASP  23  -7.276  -9.136   2.520
  252   1HB   ASP  23          2HB       ASP  23  -9.821  -7.641   2.283
  253   2HB   ASP  23          1HB       ASP  23  -8.990  -7.919   0.752
  254    QB   ASP  23           QB       ASP  23  -9.406  -7.780   1.517
  255    H    ALA  24           H        ALA  24  -6.659  -8.265   0.160
  256    HA   ALA  24           HA       ALA  24  -4.615  -6.293   0.477
  257   1HB   ALA  24          3HB       ALA  24  -5.197  -8.178  -1.346
  258   2HB   ALA  24          2HB       ALA  24  -5.855  -6.780  -2.198
  259   3HB   ALA  24          1HB       ALA  24  -4.153  -6.806  -1.728
  260    QB   ALA  24           QB       ALA  24  -5.069  -7.255  -1.758
  261    H    ALA  25           H        ALA  25  -8.009  -6.054  -0.431
  262    HA   ALA  25           HA       ALA  25  -8.097  -3.496  -1.620
  263   1HB   ALA  25          3HB       ALA  25  -9.974  -5.118   0.098
  264   2HB   ALA  25          2HB       ALA  25 -10.454  -3.538  -0.522
  265   3HB   ALA  25          1HB       ALA  25 -10.049  -4.839  -1.642
  266    QB   ALA  25           QB       ALA  25 -10.159  -4.498  -0.689
  267    H    GLU  26           H        GLU  26  -8.528  -4.363   1.820
  268    HA   GLU  26           HA       GLU  26  -8.642  -1.673   2.825
  269   1HB   GLU  26          2HB       GLU  26  -9.386  -3.732   4.008
  270   2HB   GLU  26          1HB       GLU  26  -7.709  -4.262   4.121
  271   1HG   GLU  26          2HG       GLU  26  -7.809  -3.212   6.152
  272   2HG   GLU  26          1HG       GLU  26  -7.479  -1.776   5.180
  273    QB   GLU  26           QB       GLU  26  -8.547  -3.997   4.065
  274    QG   GLU  26           QG       GLU  26  -7.644  -2.494   5.666
  275    H    ALA  27           H        ALA  27  -5.965  -3.956   2.303
  276    HA   ALA  27           HA       ALA  27  -3.838  -2.534   3.530
  277   1HB   ALA  27          3HB       ALA  27  -4.220  -4.575   1.425
  278   2HB   ALA  27          2HB       ALA  27  -2.707  -3.674   1.300
  279   3HB   ALA  27          1HB       ALA  27  -3.090  -4.559   2.779
  280    QB   ALA  27           QB       ALA  27  -3.339  -4.269   1.835
  281    H    GLU  28           H        GLU  28  -5.098  -2.301   0.184
  282    HA   GLU  28           HA       GLU  28  -3.309  -0.302  -0.776
  283   1HB   GLU  28          2HB       GLU  28  -5.121  -1.776  -1.948
  284   2HB   GLU  28          1HB       GLU  28  -6.226  -0.465  -1.532
  285   1HG   GLU  28          2HG       GLU  28  -4.377   1.069  -2.592
  286   2HG   GLU  28          1HG       GLU  28  -3.852  -0.417  -3.386
  287    QB   GLU  28           QB       GLU  28  -5.674  -1.120  -1.740
  288    QG   GLU  28           QG       GLU  28  -4.115   0.326  -2.989
  289    H    LYS  29           H        LYS  29  -6.324  -0.060   1.095
  290    HA   LYS  29           HA       LYS  29  -6.566   2.826   0.976
  291   1HB   LYS  29          2HB       LYS  29  -7.481   0.808   3.062
  292   2HB   LYS  29          1HB       LYS  29  -8.111   2.443   2.877
  293   1HG   LYS  29          2HG       LYS  29  -8.238   0.303   0.731
  294   2HG   LYS  29          1HG       LYS  29  -9.567   0.712   1.811
  295   1HD   LYS  29          2HD       LYS  29  -8.218   2.641  -0.099
  296   2HD   LYS  29          1HD       LYS  29  -9.772   1.860  -0.375
  297   1HE   LYS  29          2HE       LYS  29 -10.309   2.915   2.033
  298   2HE   LYS  29          1HE       LYS  29  -9.085   4.084   1.498
  299   1HZ   LYS  29          3HZ       LYS  29 -10.300   4.162  -0.665
  300   2HZ   LYS  29          2HZ       LYS  29 -11.550   3.269   0.059
  301   3HZ   LYS  29          1HZ       LYS  29 -11.161   4.817   0.640
  302    QB   LYS  29           QB       LYS  29  -7.796   1.625   2.970
  303    QG   LYS  29           QG       LYS  29  -8.902   0.508   1.271
  304    QD   LYS  29           QD       LYS  29  -8.995   2.251  -0.237
  305    QE   LYS  29           QE       LYS  29  -9.697   3.499   1.766
  306    QZ   LYS  29           QZ       LYS  29 -11.004   4.083   0.011
  307    H    ILE  30           H        ILE  30  -5.326   0.607   3.483
  308    HA   ILE  30           HA       ILE  30  -4.294   2.538   5.301
  309    HB   ILE  30           HB       ILE  30  -3.369  -0.273   4.577
  310   1HG1  ILE  30          2HG1      ILE  30  -5.069   0.538   6.934
  311   2HG1  ILE  30          1HG1      ILE  30  -5.801   0.202   5.365
  312   1HG2  ILE  30          1HG2      ILE  30  -2.739   1.530   6.926
  313   2HG2  ILE  30          3HG2      ILE  30  -2.567  -0.222   7.016
  314   3HG2  ILE  30          2HG2      ILE  30  -1.606   0.699   5.860
  315   1HD1  ILE  30          2HD1      ILE  30  -3.839  -1.827   6.215
  316   2HD1  ILE  30          1HD1      ILE  30  -5.246  -1.702   7.274
  317   3HD1  ILE  30          3HD1      ILE  30  -5.462  -2.034   5.556
  318    QG1  ILE  30           QG1      ILE  30  -5.435   0.370   6.150
  319    QG2  ILE  30           QG2      ILE  30  -2.304   0.669   6.601
  320    QD1  ILE  30           QD1      ILE  30  -4.849  -1.854   6.348
  321    H    PHE  31           H        PHE  31  -2.884   1.015   2.428
  322    HA   PHE  31           HA       PHE  31  -0.263   2.256   2.701
  323   1HB   PHE  31          2HB       PHE  31  -1.814   0.745   0.596
  324   2HB   PHE  31          1HB       PHE  31  -0.267   1.488   0.187
  325    HD1  PHE  31          1HD       PHE  31   1.412   1.129   2.485
  326    HD2  PHE  31          2HD       PHE  31  -1.544  -1.547   0.880
  327    HE1  PHE  31          1HE       PHE  31   2.605  -0.797   3.497
  328    HE2  PHE  31          2HE       PHE  31  -0.346  -3.470   1.890
  329   1HZ   PHE  31           HZ       PHE  31   1.726  -3.093   3.198
  330    QB   PHE  31           QB       PHE  31  -1.041   1.117   0.391
  331    QG   PHE  31           QD       PHE  31  -0.066  -0.209   1.682
  332    QZ   PHE  31           QE       PHE  31   1.129  -2.134   2.693
  333    QZ   PHE  31           QR       PHE  31   0.771  -1.556   2.390
  334    H    LYS  32           H        LYS  32  -3.282   2.992   1.011
  335    HA   LYS  32           HA       LYS  32  -2.252   5.248  -0.463
  336   1HB   LYS  32          2HB       LYS  32  -4.941   4.061   0.134
  337   2HB   LYS  32          1HB       LYS  32  -4.816   5.603  -0.710
  338   1HG   LYS  32          2HG       LYS  32  -3.035   3.459  -1.721
  339   2HG   LYS  32          1HG       LYS  32  -4.760   3.195  -1.977
  340   1HD   LYS  32          2HD       LYS  32  -3.532   5.861  -2.634
  341   2HD   LYS  32          1HD       LYS  32  -3.415   4.525  -3.779
  342   1HE   LYS  32          2HE       LYS  32  -5.652   4.597  -4.288
  343   2HE   LYS  32          1HE       LYS  32  -6.116   5.001  -2.623
  344   1HZ   LYS  32          3HZ       LYS  32  -4.741   6.841  -4.511
  345   2HZ   LYS  32          2HZ       LYS  32  -6.394   6.902  -4.123
  346   3HZ   LYS  32          1HZ       LYS  32  -5.226   7.215  -2.929
  347    QB   LYS  32           QB       LYS  32  -4.878   4.832  -0.288
  348    QG   LYS  32           QG       LYS  32  -3.898   3.327  -1.849
  349    QD   LYS  32           QD       LYS  32  -3.474   5.193  -3.206
  350    QE   LYS  32           QE       LYS  32  -5.884   4.799  -3.456
  351    QZ   LYS  32           QZ       LYS  32  -5.453   6.986  -3.854
  352    H    GLN  33           H        GLN  33  -2.792   4.909   2.826
  353    HA   GLN  33           HA       GLN  33  -3.603   7.802   3.151
  354   1HB   GLN  33          2HB       GLN  33  -3.906   5.270   4.753
  355   2HB   GLN  33          1HB       GLN  33  -3.857   6.815   5.600
  356   1HG   GLN  33          2HG       GLN  33  -5.669   7.605   3.982
  357   2HG   GLN  33          1HG       GLN  33  -5.840   5.915   3.506
  358   1HE2  GLN  33          2HE2      GLN  33  -7.764   5.095   6.333
  359   2HE2  GLN  33          1HE2      GLN  33  -7.211   4.656   4.790
  360    QB   GLN  33           QB       GLN  33  -3.882   6.042   5.177
  361    QG   GLN  33           QG       GLN  33  -5.755   6.760   3.744
  362    QE2  GLN  33           QE2      GLN  33  -7.487   4.876   5.562
  363    H    TYR  34           H        TYR  34  -1.548   5.194   4.210
  364    HA   TYR  34           HA       TYR  34   0.418   6.438   5.789
  365   1HB   TYR  34          2HB       TYR  34   0.263   4.084   5.550
  366   2HB   TYR  34          1HB       TYR  34   0.179   4.188   3.789
  367    HD1  TYR  34          2HD       TYR  34   2.541   5.255   6.540
  368    HD2  TYR  34          1HD       TYR  34   2.095   3.411   2.686
  369    HE1  TYR  34          2HE       TYR  34   4.989   4.866   6.443
  370    HE2  TYR  34          1HE       TYR  34   4.543   3.022   2.590
  371    HH   TYR  34           HH       TYR  34   6.594   3.974   3.589
  372    QB   TYR  34           QB       TYR  34   0.221   4.136   4.669
  373    QG   TYR  34           QD       TYR  34   2.318   4.333   4.613
  374    QZ   TYR  34           QE       TYR  34   4.766   3.944   4.517
  375    QR   TYR  34           QR       TYR  34   3.542   4.138   4.565
  376    H    ALA  35           H        ALA  35  -0.069   6.399   2.294
  377    HA   ALA  35           HA       ALA  35   2.450   7.471   1.395
  378   1HB   ALA  35          2HB       ALA  35  -0.294   6.979   0.408
  379   2HB   ALA  35          1HB       ALA  35   0.511   8.347  -0.372
  380   3HB   ALA  35          3HB       ALA  35   1.251   6.742  -0.410
  381    QB   ALA  35           QB       ALA  35   0.489   7.356  -0.124
  382    H    ASN  36           H        ASN  36  -0.733   9.080   1.643
  383    HA   ASN  36           HA       ASN  36   0.098  11.766   1.370
  384   1HB   ASN  36          2HB       ASN  36  -2.176  10.426   2.854
  385   2HB   ASN  36          1HB       ASN  36  -2.081  12.177   2.637
  386   1HD2  ASN  36          2HD2      ASN  36  -3.117   9.804  -0.513
  387   2HD2  ASN  36          1HD2      ASN  36  -2.645   9.119   0.967
  388    QB   ASN  36           QB       ASN  36  -2.129  11.301   2.745
  389    QD2  ASN  36           QD2      ASN  36  -2.881   9.461   0.227
  390    H    ASP  37           H        ASP  37  -0.232   9.803   4.328
  391    HA   ASP  37           HA       ASP  37   0.208  11.718   6.319
  392   1HB   ASP  37          2HB       ASP  37   0.908   8.824   5.955
  393   2HB   ASP  37          1HB       ASP  37   1.444   9.659   7.413
  394    QB   ASP  37           QB       ASP  37   1.176   9.242   6.684
  395    H    ASN  38           H        ASN  38   2.503  10.418   4.055
  396    HA   ASN  38           HA       ASN  38   4.733  11.816   5.410
  397   1HB   ASN  38          2HB       ASN  38   4.463   9.521   3.491
  398   2HB   ASN  38          1HB       ASN  38   6.006  10.363   3.638
  399   1HD2  ASN  38          2HD2      ASN  38   4.927   7.726   6.484
  400   2HD2  ASN  38          1HD2      ASN  38   4.050   7.922   5.044
  401    QB   ASN  38           QB       ASN  38   5.234   9.942   3.564
  402    QD2  ASN  38           QD2      ASN  38   4.489   7.824   5.764
  403    H    GLY  39           H        GLY  39   3.508  11.210   2.112
  404   1HA   GLY  39          2HA       GLY  39   3.068  13.559   0.966
  405   2HA   GLY  39          1HA       GLY  39   4.821  13.686   1.149
  406    QA   GLY  39           QA       GLY  39   3.944  13.623   1.058
  407    H    ILE  40           H        ILE  40   2.447  11.242   0.084
  408    HA   ILE  40           HA       ILE  40   4.324  10.466  -2.127
  409    HB   ILE  40           HB       ILE  40   2.294   9.090  -0.401
  410   1HG1  ILE  40          2HG1      ILE  40   4.946   9.760   0.101
  411   2HG1  ILE  40          1HG1      ILE  40   3.996   8.586   0.991
  412   1HG2  ILE  40          3HG2      ILE  40   2.211   8.097  -2.635
  413   2HG2  ILE  40          2HG2      ILE  40   3.958   7.857  -2.599
  414   3HG2  ILE  40          1HG2      ILE  40   2.923   6.975  -1.473
  415   1HD1  ILE  40          1HD1      ILE  40   5.507   7.824  -1.496
  416   2HD1  ILE  40          3HD1      ILE  40   6.277   7.830   0.093
  417   3HD1  ILE  40          2HD1      ILE  40   4.894   6.775  -0.211
  418    QG1  ILE  40           QG1      ILE  40   4.471   9.173   0.546
  419    QG2  ILE  40           QG2      ILE  40   3.030   7.643  -2.236
  420    QD1  ILE  40           QD1      ILE  40   5.560   7.476  -0.538
  421    H    ASP  41           H        ASP  41   3.447  10.613  -4.222
  422    HA   ASP  41           HA       ASP  41   0.573  10.405  -4.722
  423   1HB   ASP  41          2HB       ASP  41   1.383  12.805  -3.772
  424   2HB   ASP  41          1HB       ASP  41   1.652  13.065  -5.495
  425    QB   ASP  41           QB       ASP  41   1.517  12.935  -4.633
  426    H    GLY  42           H        GLY  42   0.927   9.026  -6.455
  427   1HA   GLY  42          2HA       GLY  42   1.867  10.181  -8.951
  428   2HA   GLY  42          1HA       GLY  42   2.963   8.946  -8.333
  429    QA   GLY  42           QA       GLY  42   2.415   9.564  -8.642
  430    H    GLU  43           H        GLU  43   2.468   6.836  -8.774
  431    HA   GLU  43           HA       GLU  43  -0.249   6.264  -9.933
  432   1HB   GLU  43          2HB       GLU  43   2.243   6.007 -11.036
  433   2HB   GLU  43          1HB       GLU  43   2.001   4.390 -10.375
  434   1HG   GLU  43          2HG       GLU  43   1.131   4.405 -12.633
  435   2HG   GLU  43          1HG       GLU  43  -0.239   4.335 -11.523
  436    QB   GLU  43           QB       GLU  43   2.122   5.198 -10.706
  437    QG   GLU  43           QG       GLU  43   0.446   4.370 -12.078
  438    H    TRP  44           H        TRP  44  -0.764   3.781  -9.654
  439    HA   TRP  44           HA       TRP  44   0.188   2.602  -7.084
  440   1HB   TRP  44          2HB       TRP  44  -2.518   3.802  -7.639
  441   2HB   TRP  44          1HB       TRP  44  -2.406   2.387  -6.587
  442    HD1  TRP  44           HD       TRP  44  -1.389   6.061  -6.779
  443    HE1  TRP  44          1HE       TRP  44  -0.631   6.815  -4.432
  444    HE3  TRP  44          3HE       TRP  44  -1.444   1.571  -4.385
  445    HZ2  TRP  44          2HZ       TRP  44  -0.110   5.653  -1.870
  446    HZ3  TRP  44          3HZ       TRP  44  -0.811   1.418  -1.985
  447    HH2  TRP  44           HH       TRP  44  -0.141   3.453  -0.735
  448    QB   TRP  44           QB       TRP  44  -2.462   3.095  -7.113
  449    H    THR  45           H        THR  45   0.333   0.427  -7.393
  450    HA   THR  45           HA       THR  45  -1.601  -0.917  -9.229
  451    HB   THR  45           HB       THR  45   0.130  -1.911 -10.525
  452    HG1  THR  45          1HG       THR  45   2.253  -1.896  -9.903
  453   1HG2  THR  45          2HG2      THR  45  -0.212   0.476 -11.060
  454   2HG2  THR  45          1HG2      THR  45   1.064   0.902  -9.918
  455   3HG2  THR  45          3HG2      THR  45   1.452  -0.025 -11.370
  456    QG2  THR  45           QG2      THR  45   0.768   0.451 -10.783
  457    H    TYR  46           H        TYR  46  -2.251  -2.842  -8.386
  458    HA   TYR  46           HA       TYR  46  -0.937  -3.783  -5.885
  459   1HB   TYR  46          2HB       TYR  46  -3.306  -3.396  -5.749
  460   2HB   TYR  46          1HB       TYR  46  -3.604  -4.305  -7.234
  461    HD1  TYR  46          1HD       TYR  46  -1.716  -4.904  -4.042
  462    HD2  TYR  46          2HD       TYR  46  -4.584  -6.395  -6.867
  463    HE1  TYR  46          1HE       TYR  46  -1.917  -6.993  -2.730
  464    HE2  TYR  46          2HE       TYR  46  -4.788  -8.489  -5.552
  465    HH   TYR  46           HH       TYR  46  -4.412  -9.195  -3.150
  466    QB   TYR  46           QB       TYR  46  -3.455  -3.851  -6.492
  467    QG   TYR  46           QD       TYR  46  -3.150  -5.650  -5.455
  468    QZ   TYR  46           QE       TYR  46  -3.353  -7.741  -4.141
  469    QR   TYR  46           QR       TYR  46  -3.251  -6.696  -4.798
  470    H    ASP  47           H        ASP  47   0.181  -5.709  -5.832
  471    HA   ASP  47           HA       ASP  47   0.386  -7.269  -8.373
  472   1HB   ASP  47          2HB       ASP  47   2.117  -7.205  -5.875
  473   2HB   ASP  47          1HB       ASP  47   2.497  -8.065  -7.365
  474    QB   ASP  47           QB       ASP  47   2.307  -7.635  -6.620
  475    H    ASP  48           H        ASP  48  -1.365  -8.702  -8.217
  476    HA   ASP  48           HA       ASP  48  -2.179 -10.025  -5.786
  477   1HB   ASP  48          2HB       ASP  48  -3.563 -11.349  -7.371
  478   2HB   ASP  48          1HB       ASP  48  -3.646  -9.622  -7.713
  479    QB   ASP  48           QB       ASP  48  -3.604 -10.485  -7.542
  480    H    ALA  49           H        ALA  49   0.567 -10.551  -7.694
  481    HA   ALA  49           HA       ALA  49   0.680 -13.474  -7.248
  482   1HB   ALA  49          3HB       ALA  49   2.483 -11.442  -8.605
  483   2HB   ALA  49          2HB       ALA  49   2.815 -13.175  -8.559
  484   3HB   ALA  49          1HB       ALA  49   1.386 -12.572  -9.399
  485    QB   ALA  49           QB       ALA  49   2.228 -12.396  -8.854
  486    H    THR  50           H        THR  50   1.980 -10.456  -5.992
  487    HA   THR  50           HA       THR  50   3.576 -12.022  -3.991
  488    HB   THR  50           HB       THR  50   5.112 -10.058  -4.032
  489    HG1  THR  50          1HG       THR  50   4.722  -8.404  -5.386
  490   1HG2  THR  50          3HG2      THR  50   5.083 -12.104  -5.739
  491   2HG2  THR  50          2HG2      THR  50   4.781 -10.813  -6.902
  492   3HG2  THR  50          1HG2      THR  50   6.240 -10.783  -5.910
  493    QG2  THR  50           QG2      THR  50   5.368 -11.233  -6.184
  494    H    LYS  51           H        LYS  51   0.776 -10.311  -4.318
  495    HA   LYS  51           HA       LYS  51  -0.587  -9.088  -2.832
  496   1HB   LYS  51          2HB       LYS  51   1.343 -10.327  -0.838
  497   2HB   LYS  51          1HB       LYS  51  -0.266  -9.712  -0.468
  498   1HG   LYS  51          2HG       LYS  51   0.211 -11.905  -2.500
  499   2HG   LYS  51          1HG       LYS  51  -0.100 -12.237  -0.796
  500   1HD   LYS  51          2HD       LYS  51  -2.289 -11.445  -0.900
  501   2HD   LYS  51          1HD       LYS  51  -1.958 -10.419  -2.295
  502   1HE   LYS  51          2HE       LYS  51  -2.064 -12.216  -3.808
  503   2HE   LYS  51          1HE       LYS  51  -1.762 -13.421  -2.539
  504   1HZ   LYS  51          2HZ       LYS  51  -4.162 -11.673  -2.689
  505   2HZ   LYS  51          1HZ       LYS  51  -4.124 -13.306  -3.155
  506   3HZ   LYS  51          3HZ       LYS  51  -3.869 -12.882  -1.532
  507    QB   LYS  51           QB       LYS  51   0.538 -10.020  -0.653
  508    QG   LYS  51           QG       LYS  51   0.055 -12.071  -1.648
  509    QD   LYS  51           QD       LYS  51  -2.124 -10.932  -1.597
  510    QE   LYS  51           QE       LYS  51  -1.913 -12.819  -3.173
  511    QZ   LYS  51           QZ       LYS  51  -4.052 -12.620  -2.459
  512    H    THR  52           H        THR  52   1.700  -7.715  -4.005
  513    HA   THR  52           HA       THR  52   2.257  -5.713  -1.825
  514    HB   THR  52           HB       THR  52   4.056  -6.463  -4.146
  515    HG1  THR  52          1HG       THR  52   4.252  -8.234  -3.018
  516   1HG2  THR  52          3HG2      THR  52   4.245  -4.687  -1.750
  517   2HG2  THR  52          2HG2      THR  52   5.705  -5.519  -2.286
  518   3HG2  THR  52          1HG2      THR  52   4.855  -4.432  -3.384
  519    QG2  THR  52           QG2      THR  52   4.935  -4.880  -2.473
  520    H    PHE  53           H        PHE  53   1.932  -3.551  -2.394
  521    HA   PHE  53           HA       PHE  53   0.636  -3.051  -5.009
  522   1HB   PHE  53          2HB       PHE  53   0.958  -1.519  -2.424
  523   2HB   PHE  53          1HB       PHE  53   0.170  -0.824  -3.840
  524    HD1  PHE  53          1HD       PHE  53   0.041  -3.683  -1.443
  525    HD2  PHE  53          2HD       PHE  53  -2.087  -1.381  -4.390
  526    HE1  PHE  53          1HE       PHE  53  -2.070  -4.850  -0.840
  527    HE2  PHE  53          2HE       PHE  53  -4.183  -2.544  -3.779
  528   1HZ   PHE  53           HZ       PHE  53  -4.176  -4.279  -2.010
  529    QB   PHE  53           QB       PHE  53   0.564  -1.171  -3.132
  530    QG   PHE  53           QD       PHE  53  -1.023  -2.532  -2.916
  531    QZ   PHE  53           QE       PHE  53  -3.127  -3.697  -2.310
  532    QZ   PHE  53           QR       PHE  53  -2.495  -3.347  -2.492
  533    H    THR  54           H        THR  54   1.302  -0.383  -5.547
  534    HA   THR  54           HA       THR  54   4.231  -0.065  -5.437
  535    HB   THR  54           HB       THR  54   2.964  -0.102  -8.163
  536    HG1  THR  54          1HG       THR  54   2.399  -2.104  -7.605
  537   1HG2  THR  54          3HG2      THR  54   5.352   0.653  -7.574
  538   2HG2  THR  54          2HG2      THR  54   5.691  -1.056  -7.299
  539   3HG2  THR  54          1HG2      THR  54   5.178  -0.503  -8.894
  540    QG2  THR  54           QG2      THR  54   5.407  -0.302  -7.922
  541    H    VAL  55           H        VAL  55   3.753   1.904  -4.441
  542    HA   VAL  55           HA       VAL  55   1.965   3.787  -5.849
  543    HB   VAL  55           HB       VAL  55   1.531   3.556  -3.517
  544   1HG1  VAL  55          1HG1      VAL  55   4.498   4.034  -3.114
  545   2HG1  VAL  55          3HG1      VAL  55   3.311   4.091  -1.811
  546   3HG1  VAL  55          2HG1      VAL  55   3.564   2.589  -2.696
  547   1HG2  VAL  55          2HG2      VAL  55   1.488   5.882  -4.416
  548   2HG2  VAL  55          1HG2      VAL  55   1.835   5.823  -2.687
  549   3HG2  VAL  55          3HG2      VAL  55   3.139   6.104  -3.841
  550    QG1  VAL  55           QG1      VAL  55   3.791   3.571  -2.541
  551    QG2  VAL  55           QG2      VAL  55   2.154   5.936  -3.648
  552    QQG  VAL  55           QQG      VAL  55   2.972   4.754  -3.094
  553    H    THR  56           H        THR  56   3.057   4.631  -7.549
  554    HA   THR  56           HA       THR  56   5.841   5.543  -7.365
  555    HB   THR  56           HB       THR  56   3.619   5.364  -9.388
  556    HG1  THR  56          1HG       THR  56   4.848   3.667  -9.560
  557   1HG2  THR  56          1HG2      THR  56   6.116   7.042  -9.768
  558   2HG2  THR  56          3HG2      THR  56   5.060   6.516 -11.079
  559   3HG2  THR  56          2HG2      THR  56   4.444   7.604  -9.834
  560    QG2  THR  56           QG2      THR  56   5.206   7.054 -10.227
  561    H    GLU  57           H        GLU  57   6.258   7.936  -8.004
  562    HA   GLU  57           HA       GLU  57   4.174   9.739  -6.815
  563   1HB   GLU  57          2HB       GLU  57   6.077   9.182  -5.280
  564   2HB   GLU  57          1HB       GLU  57   7.187   9.870  -6.466
  565   1HG   GLU  57          2HG       GLU  57   6.315  12.053  -6.188
  566   2HG   GLU  57          1HG       GLU  57   4.860  11.459  -5.386
  567    QB   GLU  57           QB       GLU  57   6.632   9.526  -5.873
  568    QG   GLU  57           QG       GLU  57   5.588  11.756  -5.787
   
  No H/Q in entry =         568
  Start of MODEL   19
    1   1H    MET   1          3HT       MET   1  -0.906 -12.670   8.151
    2   2H    MET   1          2HT       MET   1  -2.464 -13.278   8.451
    3   3H    MET   1          1HT       MET   1  -1.096 -14.159   8.941
    4    HA   MET   1           HA       MET   1  -0.518 -14.738   6.750
    5   1HB   MET   1          2HB       MET   1  -2.536 -15.793   7.900
    6   2HB   MET   1          1HB       MET   1  -3.545 -14.751   6.897
    7   1HG   MET   1          2HG       MET   1  -1.426 -16.340   5.522
    8   2HG   MET   1          1HG       MET   1  -2.841 -17.213   6.108
    9   1HE   MET   1          3HE       MET   1  -4.514 -17.759   4.698
   10   2HE   MET   1          2HE       MET   1  -5.386 -16.452   5.495
   11   3HE   MET   1          1HE       MET   1  -5.506 -16.644   3.748
   12    QB   MET   1           QB       MET   1  -3.040 -15.272   7.398
   13    QG   MET   1           QG       MET   1  -2.134 -16.777   5.815
   14    QE   MET   1           QE       MET   1  -5.135 -16.952   4.647
   15    H    THR   2           H        THR   2  -2.860 -12.096   6.902
   16    HA   THR   2           HA       THR   2  -2.635 -11.630   3.969
   17    HB   THR   2           HB       THR   2  -4.313 -10.305   6.126
   18    HG1  THR   2          1HG       THR   2  -5.020 -12.290   4.230
   19   1HG2  THR   2          3HG2      THR   2  -4.096 -10.028   3.161
   20   2HG2  THR   2          2HG2      THR   2  -5.701  -9.925   3.881
   21   3HG2  THR   2          1HG2      THR   2  -4.437  -8.800   4.379
   22    QG2  THR   2           QG2      THR   2  -4.745  -9.585   3.807
   23    H    THR   3           H        THR   3  -0.237 -11.146   5.369
   24    HA   THR   3           HA       THR   3   0.001  -8.347   6.157
   25    HB   THR   3           HB       THR   3   2.210 -10.237   5.329
   26    HG1  THR   3          1HG       THR   3   1.821 -11.416   7.022
   27   1HG2  THR   3          3HG2      THR   3   2.353  -7.681   6.172
   28   2HG2  THR   3          2HG2      THR   3   2.319  -8.496   7.736
   29   3HG2  THR   3          1HG2      THR   3   3.583  -8.883   6.568
   30    QG2  THR   3           QG2      THR   3   2.752  -8.354   6.825
   31    H    PHE   4           H        PHE   4  -0.763  -7.152   4.311
   32    HA   PHE   4           HA       PHE   4   0.381  -7.539   1.652
   33   1HB   PHE   4          2HB       PHE   4  -1.451  -5.602   3.043
   34   2HB   PHE   4          1HB       PHE   4  -0.822  -5.198   1.446
   35    HD1  PHE   4          2HD       PHE   4  -0.951  -7.150  -0.331
   36    HD2  PHE   4          1HD       PHE   4  -3.418  -6.867   3.172
   37    HE1  PHE   4          2HE       PHE   4  -2.617  -8.642  -1.386
   38    HE2  PHE   4          1HE       PHE   4  -5.087  -8.365   2.109
   39   1HZ   PHE   4           HZ       PHE   4  -4.687  -9.252  -0.170
   40    QB   PHE   4           QB       PHE   4  -1.136  -5.400   2.244
   41    QG   PHE   4           QD       PHE   4  -2.185  -7.008   1.420
   42    QZ   PHE   4           QE       PHE   4  -3.852  -8.504   0.361
   43    QZ   PHE   4           QR       PHE   4  -3.352  -8.055   0.679
   44    H    LYS   5           H        LYS   5   2.017  -6.296   0.680
   45    HA   LYS   5           HA       LYS   5   3.596  -4.546   2.529
   46   1HB   LYS   5          2HB       LYS   5   4.372  -6.085   0.023
   47   2HB   LYS   5          1HB       LYS   5   5.483  -5.171   1.043
   48   1HG   LYS   5          2HG       LYS   5   5.780  -7.232   2.013
   49   2HG   LYS   5          1HG       LYS   5   4.363  -6.727   2.933
   50   1HD   LYS   5          2HD       LYS   5   2.929  -8.111   1.758
   51   2HD   LYS   5          1HD       LYS   5   3.925  -8.081   0.303
   52   1HE   LYS   5          2HE       LYS   5   5.433  -9.685   1.147
   53   2HE   LYS   5          1HE       LYS   5   4.931  -9.402   2.827
   54   1HZ   LYS   5          1HZ       LYS   5   2.683 -10.174   2.175
   55   2HZ   LYS   5          3HZ       LYS   5   3.304 -10.614   0.659
   56   3HZ   LYS   5          2HZ       LYS   5   3.868 -11.388   2.063
   57    QB   LYS   5           QB       LYS   5   4.928  -5.628   0.533
   58    QG   LYS   5           QG       LYS   5   5.072  -6.980   2.473
   59    QD   LYS   5           QD       LYS   5   3.427  -8.096   1.030
   60    QE   LYS   5           QE       LYS   5   5.182  -9.544   1.987
   61    QZ   LYS   5           QZ       LYS   5   3.285 -10.725   1.632
   62    H    LEU   6           H        LEU   6   5.091  -3.066   0.777
   63    HA   LEU   6           HA       LEU   6   3.430  -1.979  -1.393
   64   1HB   LEU   6          2HB       LEU   6   2.357  -1.032   0.591
   65   2HB   LEU   6          1HB       LEU   6   3.912  -0.460   1.192
   66    HG   LEU   6           HG       LEU   6   4.102   0.921  -0.941
   67   1HD1  LEU   6          1HD1      LEU   6   1.227  -0.001  -1.164
   68   2HD1  LEU   6          3HD1      LEU   6   1.863   1.401  -2.025
   69   3HD1  LEU   6          2HD1      LEU   6   2.515  -0.206  -2.351
   70   1HD2  LEU   6          3HD2      LEU   6   3.202   1.668   1.398
   71   2HD2  LEU   6          2HD2      LEU   6   2.933   2.722   0.009
   72   3HD2  LEU   6          1HD2      LEU   6   1.635   1.693   0.596
   73    QB   LEU   6           QB       LEU   6   3.135  -0.746   0.892
   74    QD1  LEU   6           QD1      LEU   6   1.869   0.398  -1.847
   75    QD2  LEU   6           QD2      LEU   6   2.590   2.028   0.668
   76    QQD  LEU   6           QQD      LEU   6   2.229   1.213  -0.589
   77    H    ILE   7           H        ILE   7   5.033  -1.751  -2.900
   78    HA   ILE   7           HA       ILE   7   7.759  -0.904  -2.140
   79    HB   ILE   7           HB       ILE   7   6.421  -1.462  -4.818
   80   1HG1  ILE   7          2HG1      ILE   7   8.358  -3.261  -3.362
   81   2HG1  ILE   7          1HG1      ILE   7   6.628  -3.343  -3.031
   82   1HG2  ILE   7          3HG2      ILE   7   9.194  -0.726  -3.984
   83   2HG2  ILE   7          2HG2      ILE   7   9.017  -1.918  -5.273
   84   3HG2  ILE   7          1HG2      ILE   7   8.317  -0.309  -5.457
   85   1HD1  ILE   7          3HD1      ILE   7   6.234  -3.658  -5.489
   86   2HD1  ILE   7          2HD1      ILE   7   7.981  -3.743  -5.714
   87   3HD1  ILE   7          1HD1      ILE   7   7.154  -4.970  -4.753
   88    QG1  ILE   7           QG1      ILE   7   7.493  -3.302  -3.197
   89    QG2  ILE   7           QG2      ILE   7   8.843  -0.984  -4.905
   90    QD1  ILE   7           QD1      ILE   7   7.123  -4.124  -5.319
   91    H    ILE   8           H        ILE   8   7.823   1.284  -1.632
   92    HA   ILE   8           HA       ILE   8   6.042   3.188  -2.964
   93    HB   ILE   8           HB       ILE   8   8.392   3.796  -1.168
   94   1HG1  ILE   8          2HG1      ILE   8   6.564   2.000  -0.305
   95   2HG1  ILE   8          1HG1      ILE   8   7.263   3.198   0.762
   96   1HG2  ILE   8          3HG2      ILE   8   5.909   5.206  -2.077
   97   2HG2  ILE   8          2HG2      ILE   8   6.619   5.629  -0.514
   98   3HG2  ILE   8          1HG2      ILE   8   7.572   5.801  -1.989
   99   1HD1  ILE   8          3HD1      ILE   8   4.626   3.511  -0.694
  100   2HD1  ILE   8          2HD1      ILE   8   4.795   3.039   0.993
  101   3HD1  ILE   8          1HD1      ILE   8   5.309   4.644   0.470
  102    QG1  ILE   8           QG1      ILE   8   6.914   2.599   0.229
  103    QG2  ILE   8           QG2      ILE   8   6.700   5.545  -1.527
  104    QD1  ILE   8           QD1      ILE   8   4.910   3.731   0.257
  105    H    ASN   9           H        ASN   9   6.553   3.769  -5.040
  106    HA   ASN   9           HA       ASN   9   9.404   3.985  -5.862
  107   1HB   ASN   9          2HB       ASN   9   7.652   2.738  -7.177
  108   2HB   ASN   9          1HB       ASN   9   6.837   4.278  -7.451
  109   1HD2  ASN   9          2HD2      ASN   9   9.026   5.248 -10.034
  110   2HD2  ASN   9          1HD2      ASN   9   7.612   5.577  -9.154
  111    QB   ASN   9           QB       ASN   9   7.244   3.508  -7.314
  112    QD2  ASN   9           QD2      ASN   9   8.319   5.412  -9.594
  113    H    GLY  10           H        GLY  10  10.276   5.964  -6.637
  114   1HA   GLY  10          2HA       GLY  10   9.648   8.311  -7.449
  115   2HA   GLY  10          1HA       GLY  10   8.653   8.395  -5.995
  116    QA   GLY  10           QA       GLY  10   9.151   8.353  -6.722
  117    H    LYS  11           H        LYS  11   9.775  10.070  -4.976
  118    HA   LYS  11           HA       LYS  11  12.629   9.488  -4.247
  119   1HB   LYS  11          2HB       LYS  11  12.873  11.965  -4.172
  120   2HB   LYS  11          1HB       LYS  11  12.362  11.400  -5.761
  121   1HG   LYS  11          2HG       LYS  11  10.049  12.000  -5.280
  122   2HG   LYS  11          1HG       LYS  11  10.476  12.448  -3.629
  123   1HD   LYS  11          2HD       LYS  11  12.171  14.072  -4.767
  124   2HD   LYS  11          1HD       LYS  11  11.166  13.847  -6.201
  125   1HE   LYS  11          2HE       LYS  11  10.022  14.652  -3.507
  126   2HE   LYS  11          1HE       LYS  11  10.485  15.823  -4.758
  127   1HZ   LYS  11          1HZ       LYS  11   8.643  13.529  -5.180
  128   2HZ   LYS  11          3HZ       LYS  11   8.143  15.132  -4.948
  129   3HZ   LYS  11          2HZ       LYS  11   9.050  14.718  -6.324
  130    QB   LYS  11           QB       LYS  11  12.618  11.682  -4.967
  131    QG   LYS  11           QG       LYS  11  10.262  12.224  -4.455
  132    QD   LYS  11           QD       LYS  11  11.668  13.960  -5.484
  133    QE   LYS  11           QE       LYS  11  10.254  15.238  -4.132
  134    QZ   LYS  11           QZ       LYS  11   8.612  14.460  -5.484
  135    H    THR  12           H        THR  12   9.477  10.649  -3.106
  136    HA   THR  12           HA       THR  12  10.373  11.222  -0.394
  137    HB   THR  12           HB       THR  12   7.551  10.592  -1.241
  138    HG1  THR  12          1HG       THR  12   8.962  13.001  -1.730
  139   1HG2  THR  12          2HG2      THR  12   8.627  11.489   1.117
  140   2HG2  THR  12          1HG2      THR  12   8.205  13.004   0.320
  141   3HG2  THR  12          3HG2      THR  12   6.967  11.783   0.603
  142    QG2  THR  12           QG2      THR  12   7.933  12.092   0.680
  143    H    LEU  13           H        LEU  13  11.125   9.578   0.840
  144    HA   LEU  13           HA       LEU  13  11.232   7.533   1.963
  145   1HB   LEU  13          2HB       LEU  13   9.258   7.263   3.060
  146   2HB   LEU  13          1HB       LEU  13   8.634   8.547   2.036
  147    HG   LEU  13           HG       LEU  13   8.044   6.689   0.363
  148   1HD1  LEU  13          2HD1      LEU  13   9.223   5.139   2.527
  149   2HD1  LEU  13          1HD1      LEU  13   7.569   4.620   2.210
  150   3HD1  LEU  13          3HD1      LEU  13   8.760   4.617   0.909
  151   1HD2  LEU  13          2HD2      LEU  13   6.544   7.958   2.107
  152   2HD2  LEU  13          1HD2      LEU  13   5.900   6.528   1.299
  153   3HD2  LEU  13          3HD2      LEU  13   6.525   6.408   2.943
  154    QB   LEU  13           QB       LEU  13   8.946   7.905   2.548
  155    QD1  LEU  13           QD1      LEU  13   8.517   4.792   1.882
  156    QD2  LEU  13           QD2      LEU  13   6.323   6.965   2.116
  157    QQD  LEU  13           QQD      LEU  13   7.420   5.878   1.999
  158    H    LYS  14           H        LYS  14  11.178   5.165   1.576
  159    HA   LYS  14           HA       LYS  14  10.310   4.079  -0.943
  160   1HB   LYS  14          2HB       LYS  14  12.591   3.753  -1.881
  161   2HB   LYS  14          1HB       LYS  14  12.194   5.461  -1.703
  162   1HG   LYS  14          2HG       LYS  14  13.326   5.211   0.650
  163   2HG   LYS  14          1HG       LYS  14  14.067   3.777  -0.060
  164   1HD   LYS  14          2HD       LYS  14  14.159   6.521  -1.340
  165   2HD   LYS  14          1HD       LYS  14  15.443   5.873  -0.317
  166   1HE   LYS  14          2HE       LYS  14  15.121   3.790  -2.040
  167   2HE   LYS  14          1HE       LYS  14  14.719   5.155  -3.102
  168   1HZ   LYS  14          2HZ       LYS  14  16.726   6.288  -2.289
  169   2HZ   LYS  14          1HZ       LYS  14  17.138   4.905  -1.393
  170   3HZ   LYS  14          3HZ       LYS  14  17.096   4.834  -3.087
  171    QB   LYS  14           QB       LYS  14  12.392   4.607  -1.792
  172    QG   LYS  14           QG       LYS  14  13.697   4.494   0.295
  173    QD   LYS  14           QD       LYS  14  14.801   6.197  -0.829
  174    QE   LYS  14           QE       LYS  14  14.920   4.473  -2.571
  175    QZ   LYS  14           QZ       LYS  14  16.987   5.342  -2.257
  176    H    GLY  15           H        GLY  15   9.961   1.923  -0.537
  177   1HA   GLY  15          2HA       GLY  15  11.717   0.037   0.460
  178   2HA   GLY  15          1HA       GLY  15  10.995   0.725   1.914
  179    QA   GLY  15           QA       GLY  15  11.356   0.381   1.187
  180    H    GLU  16           H        GLU  16  10.445  -1.809   1.741
  181    HA   GLU  16           HA       GLU  16   7.688  -2.025   0.557
  182   1HB   GLU  16          2HB       GLU  16   9.473  -3.324  -0.610
  183   2HB   GLU  16          1HB       GLU  16   9.839  -4.145   0.907
  184   1HG   GLU  16          2HG       GLU  16   7.447  -4.927   0.975
  185   2HG   GLU  16          1HG       GLU  16   7.236  -4.254  -0.641
  186    QB   GLU  16           QB       GLU  16   9.656  -3.734   0.149
  187    QG   GLU  16           QG       GLU  16   7.341  -4.591   0.167
  188    H    ILE  17           H        ILE  17   7.322  -1.097   2.895
  189    HA   ILE  17           HA       ILE  17   7.758  -2.699   5.224
  190    HB   ILE  17           HB       ILE  17   5.956  -1.261   6.165
  191   1HG1  ILE  17          2HG1      ILE  17   5.653  -0.127   3.372
  192   2HG1  ILE  17          1HG1      ILE  17   4.575  -1.371   4.005
  193   1HG2  ILE  17          2HG2      ILE  17   8.288  -0.406   5.823
  194   2HG2  ILE  17          1HG2      ILE  17   7.769   0.270   4.279
  195   3HG2  ILE  17          3HG2      ILE  17   7.066   0.865   5.783
  196   1HD1  ILE  17          2HD1      ILE  17   5.099   1.181   5.527
  197   2HD1  ILE  17          1HD1      ILE  17   3.837   1.082   4.299
  198   3HD1  ILE  17          3HD1      ILE  17   3.766   0.044   5.724
  199    QG1  ILE  17           QG1      ILE  17   5.114  -0.749   3.688
  200    QG2  ILE  17           QG2      ILE  17   7.708   0.243   5.295
  201    QD1  ILE  17           QD1      ILE  17   4.234   0.769   5.183
  202    H    THR  18           H        THR  18   5.665  -3.567   6.469
  203    HA   THR  18           HA       THR  18   3.887  -5.048   4.571
  204    HB   THR  18           HB       THR  18   4.365  -7.104   5.887
  205    HG1  THR  18          1HG       THR  18   5.155  -6.717   7.782
  206   1HG2  THR  18          2HG2      THR  18   5.917  -5.996   3.938
  207   2HG2  THR  18          1HG2      THR  18   7.102  -6.207   5.225
  208   3HG2  THR  18          3HG2      THR  18   6.196  -7.595   4.626
  209    QG2  THR  18           QG2      THR  18   6.405  -6.599   4.596
  210    H    ILE  19           H        ILE  19   1.778  -5.058   5.279
  211    HA   ILE  19           HA       ILE  19   1.225  -4.681   8.188
  212    HB   ILE  19           HB       ILE  19  -0.390  -2.889   7.625
  213   1HG1  ILE  19          2HG1      ILE  19   0.210  -1.978   5.133
  214   2HG1  ILE  19          1HG1      ILE  19   0.358  -3.716   4.873
  215   1HG2  ILE  19          1HG2      ILE  19   2.093  -2.468   8.102
  216   2HG2  ILE  19          3HG2      ILE  19   2.275  -2.227   6.365
  217   3HG2  ILE  19          2HG2      ILE  19   1.216  -1.167   7.296
  218   1HD1  ILE  19          1HD1      ILE  19  -1.926  -3.834   6.157
  219   2HD1  ILE  19          3HD1      ILE  19  -2.054  -2.129   5.723
  220   3HD1  ILE  19          2HD1      ILE  19  -1.919  -3.354   4.461
  221    QG1  ILE  19           QG1      ILE  19   0.284  -2.847   5.003
  222    QG2  ILE  19           QG2      ILE  19   1.862  -1.954   7.255
  223    QD1  ILE  19           QD1      ILE  19  -1.966  -3.106   5.447
  224    H    GLU  20           H        GLU  20  -0.387  -6.028   8.851
  225    HA   GLU  20           HA       GLU  20  -1.719  -7.798   6.950
  226   1HB   GLU  20          2HB       GLU  20  -2.699  -8.723   9.036
  227   2HB   GLU  20          1HB       GLU  20  -0.956  -8.509   9.180
  228   1HG   GLU  20          2HG       GLU  20  -1.375  -7.336  11.065
  229   2HG   GLU  20          1HG       GLU  20  -1.987  -6.055  10.020
  230    QB   GLU  20           QB       GLU  20  -1.828  -8.616   9.108
  231    QG   GLU  20           QG       GLU  20  -1.681  -6.696  10.543
  232    H    ALA  21           H        ALA  21  -4.052  -7.950   6.689
  233    HA   ALA  21           HA       ALA  21  -5.834  -5.881   7.717
  234   1HB   ALA  21          3HB       ALA  21  -4.790  -5.806   4.868
  235   2HB   ALA  21          2HB       ALA  21  -6.198  -4.892   5.413
  236   3HB   ALA  21          1HB       ALA  21  -4.609  -4.556   6.099
  237    QB   ALA  21           QB       ALA  21  -5.199  -5.085   5.460
  238    H    VAL  22           H        VAL  22  -8.053  -6.162   6.789
  239    HA   VAL  22           HA       VAL  22  -8.948  -8.818   6.674
  240    HB   VAL  22           HB       VAL  22 -10.338  -6.830   7.111
  241   1HG1  VAL  22          1HG1      VAL  22  -9.135  -5.495   5.252
  242   2HG1  VAL  22          3HG1      VAL  22 -10.281  -6.254   4.147
  243   3HG1  VAL  22          2HG1      VAL  22 -10.866  -5.224   5.453
  244   1HG2  VAL  22          3HG2      VAL  22 -11.436  -8.907   6.316
  245   2HG2  VAL  22          2HG2      VAL  22 -12.300  -7.470   5.771
  246   3HG2  VAL  22          1HG2      VAL  22 -11.262  -8.351   4.651
  247    QG1  VAL  22           QG1      VAL  22 -10.094  -5.658   4.950
  248    QG2  VAL  22           QG2      VAL  22 -11.666  -8.243   5.579
  249    QQG  VAL  22           QQG      VAL  22 -10.880  -6.950   5.265
  250    H    ASP  23           H        ASP  23  -8.038  -6.656   4.008
  251    HA   ASP  23           HA       ASP  23  -7.485  -8.932   2.241
  252   1HB   ASP  23          2HB       ASP  23  -9.976  -7.303   2.147
  253   2HB   ASP  23          1HB       ASP  23  -9.208  -7.639   0.595
  254    QB   ASP  23           QB       ASP  23  -9.592  -7.471   1.371
  255    H    ALA  24           H        ALA  24  -6.871  -7.947  -0.034
  256    HA   ALA  24           HA       ALA  24  -4.790  -6.033   0.309
  257   1HB   ALA  24          2HB       ALA  24  -5.442  -7.775  -1.591
  258   2HB   ALA  24          1HB       ALA  24  -6.208  -6.362  -2.316
  259   3HB   ALA  24          3HB       ALA  24  -4.476  -6.350  -1.976
  260    QB   ALA  24           QB       ALA  24  -5.375  -6.829  -1.961
  261    H    ALA  25           H        ALA  25  -8.220  -5.632  -0.360
  262    HA   ALA  25           HA       ALA  25  -8.296  -3.007  -1.398
  263   1HB   ALA  25          2HB       ALA  25 -10.089  -4.926  -0.729
  264   2HB   ALA  25          1HB       ALA  25 -10.337  -3.806   0.610
  265   3HB   ALA  25          3HB       ALA  25 -10.556  -3.255  -1.051
  266    QB   ALA  25           QB       ALA  25 -10.327  -3.996  -0.390
  267    H    GLU  26           H        GLU  26  -8.561  -4.036   2.025
  268    HA   GLU  26           HA       GLU  26  -8.497  -1.393   3.153
  269   1HB   GLU  26          2HB       GLU  26  -8.315  -4.211   3.997
  270   2HB   GLU  26          1HB       GLU  26  -7.416  -3.113   5.044
  271   1HG   GLU  26          2HG       GLU  26 -10.265  -2.546   4.210
  272   2HG   GLU  26          1HG       GLU  26  -9.882  -3.499   5.644
  273    QB   GLU  26           QB       GLU  26  -7.865  -3.662   4.520
  274    QG   GLU  26           QG       GLU  26 -10.074  -3.023   4.927
  275    H    ALA  27           H        ALA  27  -5.950  -3.802   2.507
  276    HA   ALA  27           HA       ALA  27  -3.711  -2.457   3.610
  277   1HB   ALA  27          1HB       ALA  27  -4.270  -4.479   1.510
  278   2HB   ALA  27          3HB       ALA  27  -2.707  -3.671   1.376
  279   3HB   ALA  27          2HB       ALA  27  -3.128  -4.543   2.852
  280    QB   ALA  27           QB       ALA  27  -3.368  -4.231   1.913
  281    H    GLU  28           H        GLU  28  -5.034  -2.256   0.283
  282    HA   GLU  28           HA       GLU  28  -3.235  -0.302  -0.739
  283   1HB   GLU  28          2HB       GLU  28  -5.081  -1.764  -1.862
  284   2HB   GLU  28          1HB       GLU  28  -6.168  -0.439  -1.443
  285   1HG   GLU  28          2HG       GLU  28  -4.220   1.020  -2.536
  286   2HG   GLU  28          1HG       GLU  28  -3.904  -0.484  -3.402
  287    QB   GLU  28           QB       GLU  28  -5.624  -1.102  -1.652
  288    QG   GLU  28           QG       GLU  28  -4.062   0.268  -2.969
  289    H    LYS  29           H        LYS  29  -6.221   0.029   1.168
  290    HA   LYS  29           HA       LYS  29  -6.393   2.920   0.978
  291   1HB   LYS  29          2HB       LYS  29  -7.455   0.827   2.896
  292   2HB   LYS  29          1HB       LYS  29  -7.880   2.532   3.018
  293   1HG   LYS  29          2HG       LYS  29  -8.197   1.594   0.283
  294   2HG   LYS  29          1HG       LYS  29  -9.126   0.591   1.398
  295   1HD   LYS  29          2HD       LYS  29 -10.504   2.467   0.666
  296   2HD   LYS  29          1HD       LYS  29 -10.120   2.660   2.376
  297   1HE   LYS  29          2HE       LYS  29  -8.504   4.353   1.937
  298   2HE   LYS  29          1HE       LYS  29  -8.442   3.952   0.210
  299   1HZ   LYS  29          2HZ       LYS  29 -10.870   4.911   1.631
  300   2HZ   LYS  29          1HZ       LYS  29  -9.865   5.896   0.680
  301   3HZ   LYS  29          3HZ       LYS  29 -10.721   4.620  -0.036
  302    QB   LYS  29           QB       LYS  29  -7.668   1.679   2.957
  303    QG   LYS  29           QG       LYS  29  -8.661   1.093   0.841
  304    QD   LYS  29           QD       LYS  29 -10.312   2.563   1.521
  305    QE   LYS  29           QE       LYS  29  -8.473   4.152   1.074
  306    QZ   LYS  29           QZ       LYS  29 -10.485   5.142   0.758
  307    H    ILE  30           H        ILE  30  -5.273   0.738   3.592
  308    HA   ILE  30           HA       ILE  30  -4.223   2.704   5.362
  309    HB   ILE  30           HB       ILE  30  -3.313  -0.138   4.745
  310   1HG1  ILE  30          2HG1      ILE  30  -5.028   0.681   7.074
  311   2HG1  ILE  30          1HG1      ILE  30  -5.772   0.443   5.493
  312   1HG2  ILE  30          1HG2      ILE  30  -2.531   1.853   6.822
  313   2HG2  ILE  30          3HG2      ILE  30  -2.771   0.191   7.365
  314   3HG2  ILE  30          2HG2      ILE  30  -1.589   0.545   6.105
  315   1HD1  ILE  30          2HD1      ILE  30  -3.883  -1.681   6.338
  316   2HD1  ILE  30          1HD1      ILE  30  -5.372  -1.571   7.278
  317   3HD1  ILE  30          3HD1      ILE  30  -5.448  -1.818   5.534
  318    QG1  ILE  30           QG1      ILE  30  -5.400   0.562   6.284
  319    QG2  ILE  30           QG2      ILE  30  -2.297   0.863   6.764
  320    QD1  ILE  30           QD1      ILE  30  -4.901  -1.690   6.383
  321    H    PHE  31           H        PHE  31  -2.857   1.102   2.532
  322    HA   PHE  31           HA       PHE  31  -0.195   2.265   2.786
  323   1HB   PHE  31          2HB       PHE  31  -1.789   0.697   0.770
  324   2HB   PHE  31          1HB       PHE  31  -0.272   1.437   0.266
  325    HD1  PHE  31          2HD       PHE  31   1.475   1.185   2.565
  326    HD2  PHE  31          1HD       PHE  31  -1.449  -1.582   1.072
  327    HE1  PHE  31          2HE       PHE  31   2.720  -0.690   3.608
  328    HE2  PHE  31          1HE       PHE  31  -0.205  -3.455   2.119
  329   1HZ   PHE  31           HZ       PHE  31   1.879  -3.011   3.385
  330    QB   PHE  31           QB       PHE  31  -1.030   1.067   0.518
  331    QG   PHE  31           QD       PHE  31   0.013  -0.199   1.819
  332    QZ   PHE  31           QE       PHE  31   1.258  -2.073   2.864
  333    QZ   PHE  31           QR       PHE  31   0.884  -1.511   2.550
  334    H    LYS  32           H        LYS  32  -3.191   3.036   1.069
  335    HA   LYS  32           HA       LYS  32  -2.052   5.267  -0.395
  336   1HB   LYS  32          2HB       LYS  32  -4.778   4.078   0.012
  337   2HB   LYS  32          1HB       LYS  32  -4.583   5.609  -0.836
  338   1HG   LYS  32          2HG       LYS  32  -3.166   4.614  -2.498
  339   2HG   LYS  32          1HG       LYS  32  -3.049   3.111  -1.581
  340   1HD   LYS  32          2HD       LYS  32  -4.652   2.775  -3.369
  341   2HD   LYS  32          1HD       LYS  32  -5.538   2.839  -1.845
  342   1HE   LYS  32          2HE       LYS  32  -6.828   4.408  -2.891
  343   2HE   LYS  32          1HE       LYS  32  -5.463   5.507  -2.616
  344   1HZ   LYS  32          3HZ       LYS  32  -5.649   3.674  -4.943
  345   2HZ   LYS  32          2HZ       LYS  32  -6.147   5.297  -4.993
  346   3HZ   LYS  32          1HZ       LYS  32  -4.519   4.916  -4.698
  347    QB   LYS  32           QB       LYS  32  -4.681   4.843  -0.412
  348    QG   LYS  32           QG       LYS  32  -3.107   3.862  -2.040
  349    QD   LYS  32           QD       LYS  32  -5.095   2.807  -2.607
  350    QE   LYS  32           QE       LYS  32  -6.145   4.958  -2.753
  351    QZ   LYS  32           QZ       LYS  32  -5.438   4.629  -4.878
  352    H    GLN  33           H        GLN  33  -2.644   4.993   2.841
  353    HA   GLN  33           HA       GLN  33  -3.664   7.826   3.086
  354   1HB   GLN  33          2HB       GLN  33  -5.017   6.062   4.204
  355   2HB   GLN  33          1HB       GLN  33  -3.575   5.487   5.043
  356   1HG   GLN  33          2HG       GLN  33  -3.418   7.445   6.362
  357   2HG   GLN  33          1HG       GLN  33  -4.499   8.347   5.300
  358   1HE2  GLN  33          2HE2      GLN  33  -7.402   6.398   6.541
  359   2HE2  GLN  33          1HE2      GLN  33  -6.707   6.739   5.031
  360    QB   GLN  33           QB       GLN  33  -4.296   5.775   4.624
  361    QG   GLN  33           QG       GLN  33  -3.959   7.896   5.831
  362    QE2  GLN  33           QE2      GLN  33  -7.055   6.569   5.786
  363    H    TYR  34           H        TYR  34  -1.455   5.389   4.241
  364    HA   TYR  34           HA       TYR  34   0.384   6.823   5.822
  365   1HB   TYR  34          2HB       TYR  34   0.416   4.465   5.729
  366   2HB   TYR  34          1HB       TYR  34   0.292   4.448   3.966
  367    HD1  TYR  34          1HD       TYR  34   2.321   4.836   2.584
  368    HD2  TYR  34          2HD       TYR  34   2.546   4.706   6.870
  369    HE1  TYR  34          1HE       TYR  34   4.785   4.591   2.446
  370    HE2  TYR  34          2HE       TYR  34   5.010   4.461   6.735
  371    HH   TYR  34           HH       TYR  34   6.665   3.536   4.913
  372    QB   TYR  34           QB       TYR  34   0.354   4.456   4.847
  373    QG   TYR  34           QD       TYR  34   2.434   4.771   4.727
  374    QZ   TYR  34           QE       TYR  34   4.898   4.526   4.591
  375    QR   TYR  34           QR       TYR  34   3.666   4.648   4.659
  376    H    ALA  35           H        ALA  35   0.277   6.303   2.295
  377    HA   ALA  35           HA       ALA  35   2.692   7.630   1.522
  378   1HB   ALA  35          1HB       ALA  35   0.035   6.966   0.271
  379   2HB   ALA  35          3HB       ALA  35   1.180   7.973  -0.617
  380   3HB   ALA  35          2HB       ALA  35   1.638   6.341  -0.123
  381    QB   ALA  35           QB       ALA  35   0.951   7.093  -0.156
  382    H    ASN  36           H        ASN  36  -0.666   8.881   1.696
  383    HA   ASN  36           HA       ASN  36  -0.169  11.555   0.898
  384   1HB   ASN  36          2HB       ASN  36  -2.180  10.109   2.570
  385   2HB   ASN  36          1HB       ASN  36  -2.221  11.871   2.544
  386   1HD2  ASN  36          2HD2      ASN  36  -2.781   9.972  -1.071
  387   2HD2  ASN  36          1HD2      ASN  36  -1.690   9.306   0.045
  388    QB   ASN  36           QB       ASN  36  -2.201  10.990   2.557
  389    QD2  ASN  36           QD2      ASN  36  -2.236   9.639  -0.513
  390    H    ASP  37           H        ASP  37  -0.216  10.180   4.198
  391    HA   ASP  37           HA       ASP  37   0.360  12.539   5.647
  392   1HB   ASP  37          2HB       ASP  37  -0.166   9.985   6.255
  393   2HB   ASP  37          1HB       ASP  37   1.583   9.951   6.482
  394    QB   ASP  37           QB       ASP  37   0.708   9.968   6.368
  395    H    ASN  38           H        ASN  38   2.452  10.623   3.657
  396    HA   ASN  38           HA       ASN  38   4.858  11.969   4.707
  397   1HB   ASN  38          2HB       ASN  38   4.185   9.423   3.376
  398   2HB   ASN  38          1HB       ASN  38   5.703  10.149   2.850
  399   1HD2  ASN  38          2HD2      ASN  38   5.480   9.490   6.903
  400   2HD2  ASN  38          1HD2      ASN  38   4.176  10.232   6.109
  401    QB   ASN  38           QB       ASN  38   4.944   9.786   3.113
  402    QD2  ASN  38           QD2      ASN  38   4.828   9.861   6.506
  403    H    GLY  39           H        GLY  39   2.798  11.747   1.883
  404   1HA   GLY  39          2HA       GLY  39   2.751  13.691   0.349
  405   2HA   GLY  39          1HA       GLY  39   4.500  13.811   0.546
  406    QA   GLY  39           QA       GLY  39   3.626  13.751   0.447
  407    H    ILE  40           H        ILE  40   2.886  10.723   0.169
  408    HA   ILE  40           HA       ILE  40   4.391  10.271  -2.352
  409    HB   ILE  40           HB       ILE  40   3.188   8.689  -0.119
  410   1HG1  ILE  40          2HG1      ILE  40   5.402   7.517  -0.352
  411   2HG1  ILE  40          1HG1      ILE  40   5.797   8.670  -1.631
  412   1HG2  ILE  40          2HG2      ILE  40   2.276   7.639  -2.247
  413   2HG2  ILE  40          1HG2      ILE  40   3.949   7.321  -2.703
  414   3HG2  ILE  40          3HG2      ILE  40   3.274   6.590  -1.246
  415   1HD1  ILE  40          1HD1      ILE  40   4.906   9.510   1.132
  416   2HD1  ILE  40          3HD1      ILE  40   6.608   9.326   0.683
  417   3HD1  ILE  40          2HD1      ILE  40   5.602  10.526  -0.137
  418    QG1  ILE  40           QG1      ILE  40   5.599   8.094  -0.991
  419    QG2  ILE  40           QG2      ILE  40   3.166   7.183  -2.065
  420    QD1  ILE  40           QD1      ILE  40   5.705   9.788   0.559
  421    H    ASP  41           H        ASP  41   3.217  11.092  -4.032
  422    HA   ASP  41           HA       ASP  41   0.433  10.059  -4.422
  423   1HB   ASP  41          2HB       ASP  41   0.456  12.330  -3.349
  424   2HB   ASP  41          1HB       ASP  41   1.305  12.943  -4.769
  425    QB   ASP  41           QB       ASP  41   0.880  12.636  -4.059
  426    H    GLY  42           H        GLY  42   0.807   8.841  -6.262
  427   1HA   GLY  42          2HA       GLY  42   1.404  10.241  -8.747
  428   2HA   GLY  42          1HA       GLY  42   2.669   9.104  -8.284
  429    QA   GLY  42           QA       GLY  42   2.036   9.673  -8.516
  430    H    GLU  43           H        GLU  43   2.337   6.932  -8.673
  431    HA   GLU  43           HA       GLU  43  -0.291   6.181  -9.914
  432   1HB   GLU  43          2HB       GLU  43   2.279   5.993 -10.828
  433   2HB   GLU  43          1HB       GLU  43   2.063   4.395 -10.115
  434   1HG   GLU  43          2HG       GLU  43  -0.173   4.327 -11.405
  435   2HG   GLU  43          1HG       GLU  43   0.466   5.690 -12.324
  436    QB   GLU  43           QB       GLU  43   2.171   5.194 -10.472
  437    QG   GLU  43           QG       GLU  43   0.146   5.009 -11.865
  438    H    TRP  44           H        TRP  44  -0.705   3.688  -9.595
  439    HA   TRP  44           HA       TRP  44   0.118   2.566  -6.970
  440   1HB   TRP  44          2HB       TRP  44  -2.574   3.772  -7.606
  441   2HB   TRP  44          1HB       TRP  44  -2.498   2.351  -6.556
  442    HD1  TRP  44           HD       TRP  44  -1.677   6.052  -6.636
  443    HE1  TRP  44          1HE       TRP  44  -0.923   6.776  -4.278
  444    HE3  TRP  44          3HE       TRP  44  -1.356   1.488  -4.417
  445    HZ2  TRP  44          2HZ       TRP  44  -0.263   5.559  -1.768
  446    HZ3  TRP  44          3HZ       TRP  44  -0.659   1.290  -2.036
  447    HH2  TRP  44           HH       TRP  44  -0.110   3.319  -0.719
  448    QB   TRP  44           QB       TRP  44  -2.536   3.061  -7.081
  449    H    THR  45           H        THR  45   0.264   0.387  -7.278
  450    HA   THR  45           HA       THR  45  -1.628  -0.956  -9.151
  451    HB   THR  45           HB       THR  45   0.132  -1.938 -10.426
  452    HG1  THR  45          1HG       THR  45   2.097  -2.173  -9.682
  453   1HG2  THR  45          2HG2      THR  45  -0.274   0.439 -10.977
  454   2HG2  THR  45          1HG2      THR  45   0.995   0.902  -9.840
  455   3HG2  THR  45          3HG2      THR  45   1.400  -0.024 -11.286
  456    QG2  THR  45           QG2      THR  45   0.707   0.439 -10.701
  457    H    TYR  46           H        TYR  46  -2.282  -2.872  -8.308
  458    HA   TYR  46           HA       TYR  46  -0.976  -3.833  -5.817
  459   1HB   TYR  46          2HB       TYR  46  -3.349  -3.475  -5.706
  460   2HB   TYR  46          1HB       TYR  46  -3.617  -4.371  -7.206
  461    HD1  TYR  46          2HD       TYR  46  -1.813  -4.955  -3.964
  462    HD2  TYR  46          1HD       TYR  46  -4.519  -6.503  -6.915
  463    HE1  TYR  46          2HE       TYR  46  -2.000  -7.063  -2.680
  464    HE2  TYR  46          1HE       TYR  46  -4.702  -8.620  -5.636
  465    HH   TYR  46           HH       TYR  46  -3.100  -9.862  -3.901
  466    QB   TYR  46           QB       TYR  46  -3.483  -3.923  -6.456
  467    QG   TYR  46           QD       TYR  46  -3.166  -5.729  -5.439
  468    QZ   TYR  46           QE       TYR  46  -3.351  -7.841  -4.158
  469    QR   TYR  46           QR       TYR  46  -3.259  -6.785  -4.799
  470    H    ASP  47           H        ASP  47  -0.021  -5.870  -5.687
  471    HA   ASP  47           HA       ASP  47   0.285  -7.371  -8.265
  472   1HB   ASP  47          2HB       ASP  47   2.244  -6.213  -7.003
  473   2HB   ASP  47          1HB       ASP  47   2.087  -7.537  -5.848
  474    QB   ASP  47           QB       ASP  47   2.166  -6.875  -6.426
  475    H    ASP  48           H        ASP  48  -1.404  -8.870  -8.078
  476    HA   ASP  48           HA       ASP  48  -2.124 -10.218  -5.625
  477   1HB   ASP  48          2HB       ASP  48  -3.608  -9.832  -7.576
  478   2HB   ASP  48          1HB       ASP  48  -2.620 -10.942  -8.528
  479    QB   ASP  48           QB       ASP  48  -3.114 -10.387  -8.052
  480    H    ALA  49           H        ALA  49   0.613 -10.625  -7.565
  481    HA   ALA  49           HA       ALA  49   0.829 -13.549  -7.226
  482   1HB   ALA  49          1HB       ALA  49   1.546 -12.020  -9.233
  483   2HB   ALA  49          3HB       ALA  49   2.961 -11.673  -8.238
  484   3HB   ALA  49          2HB       ALA  49   2.620 -13.329  -8.741
  485    QB   ALA  49           QB       ALA  49   2.375 -12.341  -8.737
  486    H    THR  50           H        THR  50   2.008 -10.550  -5.806
  487    HA   THR  50           HA       THR  50   3.539 -12.165  -3.795
  488    HB   THR  50           HB       THR  50   5.142 -10.256  -3.783
  489    HG1  THR  50          1HG       THR  50   4.892  -8.738  -5.507
  490   1HG2  THR  50          2HG2      THR  50   5.182 -12.294  -5.433
  491   2HG2  THR  50          1HG2      THR  50   4.806 -11.076  -6.650
  492   3HG2  THR  50          3HG2      THR  50   6.284 -10.942  -5.697
  493    QG2  THR  50           QG2      THR  50   5.424 -11.438  -5.927
  494    H    LYS  51           H        LYS  51   0.795 -10.413  -4.176
  495    HA   LYS  51           HA       LYS  51  -0.573  -9.152  -2.731
  496   1HB   LYS  51          2HB       LYS  51   1.315 -10.429  -0.718
  497   2HB   LYS  51          1HB       LYS  51  -0.262  -9.736  -0.340
  498   1HG   LYS  51          2HG       LYS  51   0.071 -11.937  -2.387
  499   2HG   LYS  51          1HG       LYS  51  -0.188 -12.280  -0.675
  500   1HD   LYS  51          2HD       LYS  51  -2.341 -11.368  -0.680
  501   2HD   LYS  51          1HD       LYS  51  -2.023 -10.379  -2.106
  502   1HE   LYS  51          2HE       LYS  51  -3.257 -12.051  -3.121
  503   2HE   LYS  51          1HE       LYS  51  -1.667 -12.836  -3.189
  504   1HZ   LYS  51          2HZ       LYS  51  -3.626 -13.093  -0.967
  505   2HZ   LYS  51          1HZ       LYS  51  -3.314 -14.281  -2.142
  506   3HZ   LYS  51          3HZ       LYS  51  -2.102 -13.842  -1.039
  507    QB   LYS  51           QB       LYS  51   0.526 -10.082  -0.529
  508    QG   LYS  51           QG       LYS  51  -0.059 -12.109  -1.531
  509    QD   LYS  51           QD       LYS  51  -2.182 -10.874  -1.393
  510    QE   LYS  51           QE       LYS  51  -2.462 -12.443  -3.155
  511    QZ   LYS  51           QZ       LYS  51  -3.014 -13.739  -1.383
  512    H    THR  52           H        THR  52   1.623  -7.747  -3.917
  513    HA   THR  52           HA       THR  52   2.223  -5.755  -1.745
  514    HB   THR  52           HB       THR  52   4.007  -6.638  -4.037
  515    HG1  THR  52          1HG       THR  52   5.161  -7.684  -2.390
  516   1HG2  THR  52          3HG2      THR  52   4.298  -4.679  -1.767
  517   2HG2  THR  52          2HG2      THR  52   5.715  -5.434  -2.498
  518   3HG2  THR  52          1HG2      THR  52   4.639  -4.439  -3.480
  519    QG2  THR  52           QG2      THR  52   4.884  -4.851  -2.582
  520    H    PHE  53           H        PHE  53   1.886  -3.603  -2.330
  521    HA   PHE  53           HA       PHE  53   0.621  -3.121  -4.962
  522   1HB   PHE  53          2HB       PHE  53   0.909  -1.563  -2.387
  523   2HB   PHE  53          1HB       PHE  53   0.126  -0.890  -3.818
  524    HD1  PHE  53          2HD       PHE  53  -0.002  -3.730  -1.394
  525    HD2  PHE  53          1HD       PHE  53  -2.129  -1.449  -4.359
  526    HE1  PHE  53          2HE       PHE  53  -2.111  -4.884  -0.772
  527    HE2  PHE  53          1HE       PHE  53  -4.226  -2.612  -3.737
  528   1HZ   PHE  53           HZ       PHE  53  -4.218  -4.328  -1.949
  529    QB   PHE  53           QB       PHE  53   0.517  -1.226  -3.103
  530    QG   PHE  53           QD       PHE  53  -1.065  -2.590  -2.876
  531    QZ   PHE  53           QE       PHE  53  -3.168  -3.748  -2.254
  532    QZ   PHE  53           QR       PHE  53  -2.537  -3.401  -2.442
  533    H    THR  54           H        THR  54   1.286  -0.440  -5.486
  534    HA   THR  54           HA       THR  54   4.205  -0.093  -5.329
  535    HB   THR  54           HB       THR  54   3.059  -0.152  -8.097
  536    HG1  THR  54          1HG       THR  54   2.434  -2.139  -7.687
  537   1HG2  THR  54          2HG2      THR  54   5.720  -0.946  -6.888
  538   2HG2  THR  54          1HG2      THR  54   5.347  -0.945  -8.612
  539   3HG2  THR  54          3HG2      THR  54   5.365   0.572  -7.712
  540    QG2  THR  54           QG2      THR  54   5.477  -0.440  -7.737
  541    H    VAL  55           H        VAL  55   3.794   1.933  -4.448
  542    HA   VAL  55           HA       VAL  55   1.982   3.736  -5.955
  543    HB   VAL  55           HB       VAL  55   1.429   3.501  -3.633
  544   1HG1  VAL  55          3HG1      VAL  55   4.340   4.151  -3.094
  545   2HG1  VAL  55          2HG1      VAL  55   3.087   4.131  -1.854
  546   3HG1  VAL  55          1HG1      VAL  55   3.484   2.648  -2.720
  547   1HG2  VAL  55          3HG2      VAL  55   1.265   5.791  -4.537
  548   2HG2  VAL  55          2HG2      VAL  55   1.659   5.812  -2.818
  549   3HG2  VAL  55          1HG2      VAL  55   2.918   6.114  -4.015
  550    QG1  VAL  55           QG1      VAL  55   3.637   3.643  -2.556
  551    QG2  VAL  55           QG2      VAL  55   1.947   5.906  -3.790
  552    QQG  VAL  55           QQG      VAL  55   2.792   4.774  -3.173
  553    H    THR  56           H        THR  56   2.857   5.102  -7.334
  554    HA   THR  56           HA       THR  56   5.716   5.899  -7.076
  555    HB   THR  56           HB       THR  56   3.657   5.545  -9.226
  556    HG1  THR  56          1HG       THR  56   5.277   4.411 -10.124
  557   1HG2  THR  56          1HG2      THR  56   5.997   7.453  -9.509
  558   2HG2  THR  56          3HG2      THR  56   5.045   6.826 -10.855
  559   3HG2  THR  56          2HG2      THR  56   4.285   7.860  -9.644
  560    QG2  THR  56           QG2      THR  56   5.109   7.380 -10.003
  561    H    GLU  57           H        GLU  57   6.075   8.307  -7.719
  562    HA   GLU  57           HA       GLU  57   3.943   9.988  -6.444
  563   1HB   GLU  57          2HB       GLU  57   6.171   9.694  -5.285
  564   2HB   GLU  57          1HB       GLU  57   6.925  10.498  -6.663
  565   1HG   GLU  57          2HG       GLU  57   5.952  12.554  -6.174
  566   2HG   GLU  57          1HG       GLU  57   4.605  11.823  -5.299
  567    QB   GLU  57           QB       GLU  57   6.548  10.096  -5.974
  568    QG   GLU  57           QG       GLU  57   5.279  12.189  -5.736
   
  No H/Q in entry =         568
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1  -2.718 -15.627   7.258
    2   2H    MET   1          3HT       MET   1  -2.737 -15.702   8.953
    3   3H    MET   1          2HT       MET   1  -4.017 -14.956   8.123
    4    HA   MET   1           HA       MET   1  -2.693 -13.198   8.969
    5   1HB   MET   1          2HB       MET   1  -0.234 -13.259   8.569
    6   2HB   MET   1          1HB       MET   1  -0.784 -14.658   9.490
    7   1HG   MET   1          2HG       MET   1  -0.772 -16.037   7.473
    8   2HG   MET   1          1HG       MET   1  -0.340 -14.639   6.488
    9   1HE   MET   1          1HE       MET   1   0.568 -17.500   7.157
   10   2HE   MET   1          3HE       MET   1   2.337 -17.541   7.128
   11   3HE   MET   1          2HE       MET   1   1.474 -17.637   8.661
   12    QB   MET   1           QB       MET   1  -0.509 -13.958   9.029
   13    QG   MET   1           QG       MET   1  -0.556 -15.338   6.980
   14    QE   MET   1           QE       MET   1   1.460 -17.559   7.648
   15    H    THR   2           H        THR   2  -2.552 -11.325   7.713
   16    HA   THR   2           HA       THR   2  -2.341 -11.663   4.743
   17    HB   THR   2           HB       THR   2  -4.313  -9.977   6.316
   18    HG1  THR   2          1HG       THR   2  -5.793 -11.497   5.336
   19   1HG2  THR   2          3HG2      THR   2  -3.552 -10.148   3.451
   20   2HG2  THR   2          2HG2      THR   2  -5.280 -10.078   3.795
   21   3HG2  THR   2          1HG2      THR   2  -4.215  -8.789   4.358
   22    QG2  THR   2           QG2      THR   2  -4.349  -9.672   3.868
   23    H    THR   3           H        THR   3  -0.070 -10.925   5.915
   24    HA   THR   3           HA       THR   3   0.140  -8.065   6.475
   25    HB   THR   3           HB       THR   3   2.359  -9.991   5.760
   26    HG1  THR   3          1HG       THR   3   1.735 -11.138   7.384
   27   1HG2  THR   3          1HG2      THR   3   2.497  -7.377   6.365
   28   2HG2  THR   3          3HG2      THR   3   2.487  -8.038   8.001
   29   3HG2  THR   3          2HG2      THR   3   3.740  -8.526   6.860
   30    QG2  THR   3           QG2      THR   3   2.908  -7.980   7.075
   31    H    PHE   4           H        PHE   4  -0.697  -7.066   4.534
   32    HA   PHE   4           HA       PHE   4   0.375  -7.669   1.897
   33   1HB   PHE   4          2HB       PHE   4  -1.468  -5.716   3.196
   34   2HB   PHE   4          1HB       PHE   4  -0.779  -5.243   1.641
   35    HD1  PHE   4          2HD       PHE   4  -0.904  -6.961  -0.282
   36    HD2  PHE   4          1HD       PHE   4  -3.303  -7.194   3.270
   37    HE1  PHE   4          2HE       PHE   4  -2.490  -8.459  -1.457
   38    HE2  PHE   4          1HE       PHE   4  -4.893  -8.690   2.090
   39   1HZ   PHE   4           HZ       PHE   4  -4.485  -9.325  -0.267
   40    QB   PHE   4           QB       PHE   4  -1.124  -5.480   2.419
   41    QG   PHE   4           QD       PHE   4  -2.104  -7.078   1.494
   42    QZ   PHE   4           QE       PHE   4  -3.691  -8.575   0.317
   43    QZ   PHE   4           QR       PHE   4  -3.215  -8.126   0.671
   44    H    LYS   5           H        LYS   5   2.039  -6.621   0.810
   45    HA   LYS   5           HA       LYS   5   3.749  -4.792   2.442
   46   1HB   LYS   5          2HB       LYS   5   4.147  -6.688   0.124
   47   2HB   LYS   5          1HB       LYS   5   5.377  -5.492   0.528
   48   1HG   LYS   5          2HG       LYS   5   5.883  -6.495   2.555
   49   2HG   LYS   5          1HG       LYS   5   4.273  -7.190   2.733
   50   1HD   LYS   5          2HD       LYS   5   6.006  -8.117   0.470
   51   2HD   LYS   5          1HD       LYS   5   6.323  -8.730   2.092
   52   1HE   LYS   5          2HE       LYS   5   4.053  -9.583   2.280
   53   2HE   LYS   5          1HE       LYS   5   3.604  -8.831   0.736
   54   1HZ   LYS   5          2HZ       LYS   5   5.338 -10.125  -0.354
   55   2HZ   LYS   5          1HZ       LYS   5   5.729 -10.874   1.120
   56   3HZ   LYS   5          3HZ       LYS   5   4.215 -11.148   0.407
   57    QB   LYS   5           QB       LYS   5   4.762  -6.090   0.326
   58    QG   LYS   5           QG       LYS   5   5.078  -6.842   2.644
   59    QD   LYS   5           QD       LYS   5   6.164  -8.424   1.281
   60    QE   LYS   5           QE       LYS   5   3.829  -9.207   1.508
   61    QZ   LYS   5           QZ       LYS   5   5.094 -10.715   0.391
   62    H    LEU   6           H        LEU   6   5.109  -3.310   0.720
   63    HA   LEU   6           HA       LEU   6   3.513  -2.314  -1.530
   64   1HB   LEU   6          2HB       LEU   6   2.567  -1.459   0.764
   65   2HB   LEU   6          1HB       LEU   6   3.970  -0.403   0.756
   66    HG   LEU   6           HG       LEU   6   1.503  -0.299  -0.906
   67   1HD1  LEU   6          3HD1      LEU   6   2.699   1.317   0.936
   68   2HD1  LEU   6          2HD1      LEU   6   3.264   2.050  -0.563
   69   3HD1  LEU   6          1HD1      LEU   6   1.538   1.878  -0.264
   70   1HD2  LEU   6          2HD2      LEU   6   4.204   0.501  -2.062
   71   2HD2  LEU   6          1HD2      LEU   6   3.147  -0.760  -2.694
   72   3HD2  LEU   6          3HD2      LEU   6   2.639   0.927  -2.753
   73    QB   LEU   6           QB       LEU   6   3.268  -0.931   0.760
   74    QD1  LEU   6           QD1      LEU   6   2.501   1.748   0.036
   75    QD2  LEU   6           QD2      LEU   6   3.330   0.223  -2.503
   76    QQD  LEU   6           QQD      LEU   6   2.915   0.985  -1.233
   77    H    ILE   7           H        ILE   7   5.124  -1.859  -2.979
   78    HA   ILE   7           HA       ILE   7   7.792  -0.987  -2.027
   79    HB   ILE   7           HB       ILE   7   6.679  -1.559  -4.801
   80   1HG1  ILE   7          2HG1      ILE   7   8.494  -3.333  -3.154
   81   2HG1  ILE   7          1HG1      ILE   7   6.738  -3.468  -3.060
   82   1HG2  ILE   7          2HG2      ILE   7   8.910  -0.140  -4.256
   83   2HG2  ILE   7          1HG2      ILE   7   9.578  -1.768  -4.149
   84   3HG2  ILE   7          3HG2      ILE   7   8.795  -1.233  -5.635
   85   1HD1  ILE   7          2HD1      ILE   7   8.242  -3.569  -5.683
   86   2HD1  ILE   7          1HD1      ILE   7   7.869  -5.013  -4.743
   87   3HD1  ILE   7          3HD1      ILE   7   6.562  -4.016  -5.383
   88    QG1  ILE   7           QG1      ILE   7   7.616  -3.400  -3.107
   89    QG2  ILE   7           QG2      ILE   7   9.094  -1.047  -4.680
   90    QD1  ILE   7           QD1      ILE   7   7.558  -4.199  -5.270
   91    H    ILE   8           H        ILE   8   8.078   1.204  -1.749
   92    HA   ILE   8           HA       ILE   8   6.204   3.082  -3.020
   93    HB   ILE   8           HB       ILE   8   8.641   3.784  -1.381
   94   1HG1  ILE   8          2HG1      ILE   8   7.116   1.987  -0.251
   95   2HG1  ILE   8          1HG1      ILE   8   7.512   3.426   0.667
   96   1HG2  ILE   8          2HG2      ILE   8   6.180   5.124  -2.350
   97   2HG2  ILE   8          1HG2      ILE   8   6.650   5.506  -0.693
   98   3HG2  ILE   8          3HG2      ILE   8   7.781   5.792  -2.016
   99   1HD1  ILE   8          1HD1      ILE   8   5.063   3.626  -0.974
  100   2HD1  ILE   8          3HD1      ILE   8   4.982   2.471   0.354
  101   3HD1  ILE   8          2HD1      ILE   8   5.357   4.165   0.677
  102    QG1  ILE   8           QG1      ILE   8   7.314   2.707   0.208
  103    QG2  ILE   8           QG2      ILE   8   6.870   5.474  -1.687
  104    QD1  ILE   8           QD1      ILE   8   5.134   3.421   0.019
  105    H    ASN   9           H        ASN   9   6.650   3.503  -5.167
  106    HA   ASN   9           HA       ASN   9   9.450   3.606  -6.123
  107   1HB   ASN   9          2HB       ASN   9   7.647   2.442  -7.367
  108   2HB   ASN   9          1HB       ASN   9   6.773   3.965  -7.512
  109   1HD2  ASN   9          2HD2      ASN   9   8.962   5.285 -10.019
  110   2HD2  ASN   9          1HD2      ASN   9   7.839   5.711  -8.817
  111    QB   ASN   9           QB       ASN   9   7.210   3.203  -7.439
  112    QD2  ASN   9           QD2      ASN   9   8.401   5.498  -9.418
  113    H    GLY  10           H        GLY  10  10.447   5.516  -6.855
  114   1HA   GLY  10          2HA       GLY  10  10.257   7.864  -7.624
  115   2HA   GLY  10          1HA       GLY  10   8.902   8.054  -6.509
  116    QA   GLY  10           QA       GLY  10   9.579   7.959  -7.066
  117    H    LYS  11           H        LYS  11  11.106   9.790  -6.435
  118    HA   LYS  11           HA       LYS  11  13.169   9.109  -4.589
  119   1HB   LYS  11          2HB       LYS  11  13.365  11.582  -4.372
  120   2HB   LYS  11          1HB       LYS  11  13.179  11.083  -6.052
  121   1HG   LYS  11          2HG       LYS  11  10.873  11.729  -6.087
  122   2HG   LYS  11          1HG       LYS  11  10.833  11.925  -4.335
  123   1HD   LYS  11          2HD       LYS  11  12.840  13.536  -5.839
  124   2HD   LYS  11          1HD       LYS  11  11.148  14.015  -5.981
  125   1HE   LYS  11          2HE       LYS  11  10.949  14.456  -3.672
  126   2HE   LYS  11          1HE       LYS  11  12.371  13.473  -3.272
  127   1HZ   LYS  11          1HZ       LYS  11  12.491  15.888  -4.992
  128   2HZ   LYS  11          3HZ       LYS  11  12.784  15.929  -3.321
  129   3HZ   LYS  11          2HZ       LYS  11  13.796  15.018  -4.337
  130    QB   LYS  11           QB       LYS  11  13.272  11.333  -5.212
  131    QG   LYS  11           QG       LYS  11  10.853  11.827  -5.211
  132    QD   LYS  11           QD       LYS  11  11.994  13.775  -5.910
  133    QE   LYS  11           QE       LYS  11  11.660  13.965  -3.472
  134    QZ   LYS  11           QZ       LYS  11  13.024  15.612  -4.217
  135    H    THR  12           H        THR  12   9.811   9.997  -4.073
  136    HA   THR  12           HA       THR  12  10.084  10.641  -1.240
  137    HB   THR  12           HB       THR  12   7.518  10.314  -1.445
  138    HG1  THR  12          1HG       THR  12   7.050   9.254  -3.191
  139   1HG2  THR  12          3HG2      THR  12   8.990  12.457  -1.782
  140   2HG2  THR  12          2HG2      THR  12   8.587  12.242  -3.485
  141   3HG2  THR  12          1HG2      THR  12   7.303  12.476  -2.298
  142    QG2  THR  12           QG2      THR  12   8.293  12.392  -2.521
  143    H    LEU  13           H        LEU  13  10.300   9.158   0.380
  144    HA   LEU  13           HA       LEU  13  10.303   7.101   1.537
  145   1HB   LEU  13          2HB       LEU  13   7.794   7.301  -0.012
  146   2HB   LEU  13          1HB       LEU  13   8.226   5.657   0.458
  147    HG   LEU  13           HG       LEU  13   8.077   8.010   2.364
  148   1HD1  LEU  13          2HD1      LEU  13   6.132   5.829   1.608
  149   2HD1  LEU  13          1HD1      LEU  13   6.092   6.551   3.219
  150   3HD1  LEU  13          3HD1      LEU  13   5.836   7.561   1.794
  151   1HD2  LEU  13          1HD2      LEU  13   8.844   5.122   2.594
  152   2HD2  LEU  13          3HD2      LEU  13   9.524   6.529   3.412
  153   3HD2  LEU  13          2HD2      LEU  13   7.979   5.864   3.941
  154    QB   LEU  13           QB       LEU  13   8.010   6.479   0.223
  155    QD1  LEU  13           QD1      LEU  13   6.020   6.647   2.207
  156    QD2  LEU  13           QD2      LEU  13   8.782   5.838   3.316
  157    QQD  LEU  13           QQD      LEU  13   7.401   6.243   2.761
  158    H    LYS  14           H        LYS  14  10.498   4.662   1.166
  159    HA   LYS  14           HA       LYS  14  10.929   3.509  -1.395
  160   1HB   LYS  14          2HB       LYS  14  13.468   3.448  -1.284
  161   2HB   LYS  14          1HB       LYS  14  12.794   5.041  -1.606
  162   1HG   LYS  14          2HG       LYS  14  13.573   5.893   0.346
  163   2HG   LYS  14          1HG       LYS  14  13.087   4.468   1.264
  164   1HD   LYS  14          2HD       LYS  14  15.488   4.571   1.358
  165   2HD   LYS  14          1HD       LYS  14  15.079   3.266   0.245
  166   1HE   LYS  14          2HE       LYS  14  15.307   4.951  -1.652
  167   2HE   LYS  14          1HE       LYS  14  16.007   6.065  -0.461
  168   1HZ   LYS  14          3HZ       LYS  14  16.955   3.293  -0.962
  169   2HZ   LYS  14          2HZ       LYS  14  17.712   4.696  -1.549
  170   3HZ   LYS  14          1HZ       LYS  14  17.637   4.404   0.123
  171    QB   LYS  14           QB       LYS  14  13.131   4.244  -1.445
  172    QG   LYS  14           QG       LYS  14  13.330   5.181   0.805
  173    QD   LYS  14           QD       LYS  14  15.283   3.918   0.801
  174    QE   LYS  14           QE       LYS  14  15.657   5.508  -1.056
  175    QZ   LYS  14           QZ       LYS  14  17.434   4.131  -0.796
  176    H    GLY  15           H        GLY  15   9.853   1.769  -0.281
  177   1HA   GLY  15          2HA       GLY  15  11.582  -0.165   0.933
  178   2HA   GLY  15          1HA       GLY  15  10.656   0.646   2.194
  179    QA   GLY  15           QA       GLY  15  11.119   0.240   1.564
  180    H    GLU  16           H        GLU  16   9.822  -1.633   2.451
  181    HA   GLU  16           HA       GLU  16   7.726  -2.369   0.444
  182   1HB   GLU  16          2HB       GLU  16   9.646  -3.892   1.288
  183   2HB   GLU  16          1HB       GLU  16   8.725  -3.988   2.789
  184   1HG   GLU  16          2HG       GLU  16   6.872  -5.000   1.719
  185   2HG   GLU  16          1HG       GLU  16   7.456  -4.566   0.112
  186    QB   GLU  16           QB       GLU  16   9.185  -3.940   2.039
  187    QG   GLU  16           QG       GLU  16   7.164  -4.783   0.915
  188    H    ILE  17           H        ILE  17   8.226  -1.876   3.950
  189    HA   ILE  17           HA       ILE  17   6.678  -1.450   5.687
  190    HB   ILE  17           HB       ILE  17   5.145  -0.338   3.310
  191   1HG1  ILE  17          2HG1      ILE  17   7.041   1.088   5.200
  192   2HG1  ILE  17          1HG1      ILE  17   7.524   0.485   3.613
  193   1HG2  ILE  17          3HG2      ILE  17   3.981  -0.657   5.613
  194   2HG2  ILE  17          2HG2      ILE  17   5.034   0.650   6.156
  195   3HG2  ILE  17          1HG2      ILE  17   3.885   0.929   4.848
  196   1HD1  ILE  17          3HD1      ILE  17   5.091   2.226   3.828
  197   2HD1  ILE  17          2HD1      ILE  17   6.687   2.975   3.881
  198   3HD1  ILE  17          1HD1      ILE  17   6.204   2.026   2.474
  199    QG1  ILE  17           QG1      ILE  17   7.283   0.787   4.407
  200    QG2  ILE  17           QG2      ILE  17   4.300   0.307   5.539
  201    QD1  ILE  17           QD1      ILE  17   5.994   2.409   3.394
  202    H    THR  18           H        THR  18   6.247  -3.760   5.994
  203    HA   THR  18           HA       THR  18   3.986  -5.013   4.589
  204    HB   THR  18           HB       THR  18   4.604  -6.922   6.037
  205    HG1  THR  18          1HG       THR  18   5.777  -6.637   7.769
  206   1HG2  THR  18          2HG2      THR  18   6.477  -5.476   4.321
  207   2HG2  THR  18          1HG2      THR  18   7.300  -6.481   5.514
  208   3HG2  THR  18          3HG2      THR  18   6.136  -7.204   4.405
  209    QG2  THR  18           QG2      THR  18   6.638  -6.387   4.746
  210    H    ILE  19           H        ILE  19   1.889  -4.842   5.277
  211    HA   ILE  19           HA       ILE  19   1.381  -4.312   8.183
  212    HB   ILE  19           HB       ILE  19  -0.314  -2.647   7.528
  213   1HG1  ILE  19          2HG1      ILE  19   0.011  -1.934   4.968
  214   2HG1  ILE  19          1HG1      ILE  19   0.387  -3.648   4.799
  215   1HG2  ILE  19          2HG2      ILE  19   2.161  -2.063   7.813
  216   2HG2  ILE  19          1HG2      ILE  19   2.248  -2.017   6.052
  217   3HG2  ILE  19          3HG2      ILE  19   1.185  -0.902   6.912
  218   1HD1  ILE  19          3HD1      ILE  19  -1.855  -3.716   6.396
  219   2HD1  ILE  19          2HD1      ILE  19  -2.193  -2.339   5.351
  220   3HD1  ILE  19          1HD1      ILE  19  -1.863  -3.920   4.644
  221    QG1  ILE  19           QG1      ILE  19   0.199  -2.791   4.883
  222    QG2  ILE  19           QG2      ILE  19   1.864  -1.660   6.926
  223    QD1  ILE  19           QD1      ILE  19  -1.970  -3.325   5.464
  224    H    GLU  20           H        GLU  20  -0.453  -5.340   9.017
  225    HA   GLU  20           HA       GLU  20  -1.565  -7.546   7.425
  226   1HB   GLU  20          2HB       GLU  20  -1.650  -6.544  10.255
  227   2HB   GLU  20          1HB       GLU  20  -2.855  -7.722   9.733
  228   1HG   GLU  20          2HG       GLU  20  -0.815  -9.039   8.785
  229   2HG   GLU  20          1HG       GLU  20   0.138  -8.024   9.869
  230    QB   GLU  20           QB       GLU  20  -2.252  -7.133   9.994
  231    QG   GLU  20           QG       GLU  20  -0.339  -8.532   9.327
  232    H    ALA  21           H        ALA  21  -3.828  -7.790   6.954
  233    HA   ALA  21           HA       ALA  21  -5.774  -5.705   7.562
  234   1HB   ALA  21          1HB       ALA  21  -4.181  -4.761   5.790
  235   2HB   ALA  21          3HB       ALA  21  -4.853  -5.965   4.689
  236   3HB   ALA  21          2HB       ALA  21  -5.896  -4.721   5.380
  237    QB   ALA  21           QB       ALA  21  -4.977  -5.149   5.286
  238    H    VAL  22           H        VAL  22  -7.910  -6.299   6.759
  239    HA   VAL  22           HA       VAL  22  -8.564  -9.027   6.731
  240    HB   VAL  22           HB       VAL  22 -10.126  -7.163   7.125
  241   1HG1  VAL  22          1HG1      VAL  22  -9.050  -5.801   5.186
  242   2HG1  VAL  22          3HG1      VAL  22 -10.186  -6.666   4.151
  243   3HG1  VAL  22          2HG1      VAL  22 -10.787  -5.640   5.453
  244   1HG2  VAL  22          3HG2      VAL  22 -10.868  -9.460   6.196
  245   2HG2  VAL  22          2HG2      VAL  22 -12.022  -8.130   6.082
  246   3HG2  VAL  22          1HG2      VAL  22 -11.096  -8.619   4.663
  247    QG1  VAL  22           QG1      VAL  22 -10.008  -6.036   4.930
  248    QG2  VAL  22           QG2      VAL  22 -11.329  -8.736   5.647
  249    QQG  VAL  22           QQG      VAL  22 -10.668  -7.386   5.288
  250    H    ASP  23           H        ASP  23  -7.869  -6.879   3.996
  251    HA   ASP  23           HA       ASP  23  -7.160  -9.165   2.285
  252   1HB   ASP  23          2HB       ASP  23  -9.742  -7.716   2.187
  253   2HB   ASP  23          1HB       ASP  23  -8.940  -7.896   0.627
  254    QB   ASP  23           QB       ASP  23  -9.341  -7.806   1.407
  255    H    ALA  24           H        ALA  24  -6.665  -8.109  -0.052
  256    HA   ALA  24           HA       ALA  24  -4.640  -6.126   0.346
  257   1HB   ALA  24          3HB       ALA  24  -5.280  -7.885  -1.601
  258   2HB   ALA  24          2HB       ALA  24  -5.924  -6.410  -2.325
  259   3HB   ALA  24          1HB       ALA  24  -4.219  -6.503  -1.879
  260    QB   ALA  24           QB       ALA  24  -5.141  -6.932  -1.935
  261    H    ALA  25           H        ALA  25  -8.072  -5.894  -0.366
  262    HA   ALA  25           HA       ALA  25  -8.271  -3.285  -1.414
  263   1HB   ALA  25          1HB       ALA  25  -9.960  -5.202   0.095
  264   2HB   ALA  25          3HB       ALA  25 -10.499  -3.524   0.130
  265   3HB   ALA  25          2HB       ALA  25 -10.303  -4.354  -1.414
  266    QB   ALA  25           QB       ALA  25 -10.254  -4.360  -0.396
  267    H    GLU  26           H        GLU  26  -8.538  -4.288   2.015
  268    HA   GLU  26           HA       GLU  26  -8.559  -1.637   3.119
  269   1HB   GLU  26          2HB       GLU  26  -8.218  -4.449   3.998
  270   2HB   GLU  26          1HB       GLU  26  -7.492  -3.249   5.069
  271   1HG   GLU  26          2HG       GLU  26  -9.880  -2.057   4.592
  272   2HG   GLU  26          1HG       GLU  26 -10.353  -3.750   4.453
  273    QB   GLU  26           QB       GLU  26  -7.855  -3.849   4.534
  274    QG   GLU  26           QG       GLU  26 -10.117  -2.903   4.523
  275    H    ALA  27           H        ALA  27  -5.919  -3.970   2.528
  276    HA   ALA  27           HA       ALA  27  -3.732  -2.587   3.657
  277   1HB   ALA  27          3HB       ALA  27  -4.208  -4.541   1.465
  278   2HB   ALA  27          2HB       ALA  27  -2.651  -3.711   1.429
  279   3HB   ALA  27          1HB       ALA  27  -3.119  -4.653   2.848
  280    QB   ALA  27           QB       ALA  27  -3.326  -4.302   1.914
  281    H    GLU  28           H        GLU  28  -5.116  -2.273   0.370
  282    HA   GLU  28           HA       GLU  28  -3.323  -0.278  -0.608
  283   1HB   GLU  28          2HB       GLU  28  -5.197  -1.739  -1.735
  284   2HB   GLU  28          1HB       GLU  28  -6.248  -0.384  -1.324
  285   1HG   GLU  28          2HG       GLU  28  -4.432   1.096  -2.442
  286   2HG   GLU  28          1HG       GLU  28  -3.847  -0.407  -3.161
  287    QB   GLU  28           QB       GLU  28  -5.722  -1.061  -1.530
  288    QG   GLU  28           QG       GLU  28  -4.140   0.344  -2.802
  289    H    LYS  29           H        LYS  29  -6.338  -0.030   1.281
  290    HA   LYS  29           HA       LYS  29  -6.575   2.844   1.223
  291   1HB   LYS  29          2HB       LYS  29  -7.403   0.796   3.315
  292   2HB   LYS  29          1HB       LYS  29  -8.029   2.439   3.198
  293   1HG   LYS  29          2HG       LYS  29  -8.239   0.418   0.954
  294   2HG   LYS  29          1HG       LYS  29  -9.507   0.676   2.149
  295   1HD   LYS  29          2HD       LYS  29  -8.366   2.819   0.335
  296   2HD   LYS  29          1HD       LYS  29  -9.897   1.983   0.078
  297   1HE   LYS  29          2HE       LYS  29 -10.257   2.814   2.640
  298   2HE   LYS  29          1HE       LYS  29  -9.227   4.123   2.025
  299   1HZ   LYS  29          1HZ       LYS  29 -10.694   4.207   0.047
  300   2HZ   LYS  29          3HZ       LYS  29 -11.737   3.104   0.803
  301   3HZ   LYS  29          2HZ       LYS  29 -11.487   4.639   1.485
  302    QB   LYS  29           QB       LYS  29  -7.716   1.618   3.257
  303    QG   LYS  29           QG       LYS  29  -8.873   0.547   1.551
  304    QD   LYS  29           QD       LYS  29  -9.131   2.401   0.207
  305    QE   LYS  29           QE       LYS  29  -9.742   3.468   2.333
  306    QZ   LYS  29           QZ       LYS  29 -11.306   3.983   0.778
  307    H    ILE  30           H        ILE  30  -5.332   0.665   3.769
  308    HA   ILE  30           HA       ILE  30  -4.231   2.596   5.519
  309    HB   ILE  30           HB       ILE  30  -3.351  -0.231   4.803
  310   1HG1  ILE  30          2HG1      ILE  30  -4.918   0.578   7.240
  311   2HG1  ILE  30          1HG1      ILE  30  -5.751   0.372   5.699
  312   1HG2  ILE  30          3HG2      ILE  30  -2.390   1.719   6.835
  313   2HG2  ILE  30          2HG2      ILE  30  -2.666   0.075   7.413
  314   3HG2  ILE  30          1HG2      ILE  30  -1.542   0.368   6.085
  315   1HD1  ILE  30          1HD1      ILE  30  -3.939  -1.842   6.128
  316   2HD1  ILE  30          3HD1      ILE  30  -4.999  -1.655   7.526
  317   3HD1  ILE  30          2HD1      ILE  30  -5.690  -1.869   5.918
  318    QG1  ILE  30           QG1      ILE  30  -5.334   0.475   6.470
  319    QG2  ILE  30           QG2      ILE  30  -2.200   0.721   6.778
  320    QD1  ILE  30           QD1      ILE  30  -4.876  -1.789   6.524
  321    H    PHE  31           H        PHE  31  -2.790   0.960   2.712
  322    HA   PHE  31           HA       PHE  31  -0.189   2.214   2.930
  323   1HB   PHE  31          2HB       PHE  31  -1.763   0.646   0.903
  324   2HB   PHE  31          1HB       PHE  31  -0.271   1.435   0.393
  325    HD1  PHE  31          1HD       PHE  31   1.528   1.198   2.626
  326    HD2  PHE  31          2HD       PHE  31  -1.379  -1.624   1.202
  327    HE1  PHE  31          1HE       PHE  31   2.843  -0.654   3.623
  328    HE2  PHE  31          2HE       PHE  31  -0.063  -3.477   2.199
  329   1HZ   PHE  31           HZ       PHE  31   2.047  -2.993   3.407
  330    QB   PHE  31           QB       PHE  31  -1.017   1.041   0.648
  331    QG   PHE  31           QD       PHE  31   0.074  -0.213   1.914
  332    QZ   PHE  31           QE       PHE  31   1.390  -2.066   2.911
  333    QZ   PHE  31           QR       PHE  31   0.995  -1.510   2.611
  334    H    LYS  32           H        LYS  32  -3.172   2.955   1.160
  335    HA   LYS  32           HA       LYS  32  -2.062   5.203  -0.278
  336   1HB   LYS  32          2HB       LYS  32  -4.811   4.077   0.208
  337   2HB   LYS  32          1HB       LYS  32  -4.581   5.567  -0.701
  338   1HG   LYS  32          2HG       LYS  32  -2.737   3.495  -1.607
  339   2HG   LYS  32          1HG       LYS  32  -4.412   2.955  -1.716
  340   1HD   LYS  32          2HD       LYS  32  -4.726   5.425  -2.720
  341   2HD   LYS  32          1HD       LYS  32  -3.042   5.164  -3.172
  342   1HE   LYS  32          2HE       LYS  32  -3.557   3.412  -4.611
  343   2HE   LYS  32          1HE       LYS  32  -5.022   2.972  -3.712
  344   1HZ   LYS  32          3HZ       LYS  32  -4.662   5.501  -5.232
  345   2HZ   LYS  32          2HZ       LYS  32  -5.528   4.153  -5.797
  346   3HZ   LYS  32          1HZ       LYS  32  -6.070   5.002  -4.429
  347    QB   LYS  32           QB       LYS  32  -4.696   4.822  -0.247
  348    QG   LYS  32           QG       LYS  32  -3.575   3.225  -1.661
  349    QD   LYS  32           QD       LYS  32  -3.884   5.295  -2.946
  350    QE   LYS  32           QE       LYS  32  -4.290   3.192  -4.161
  351    QZ   LYS  32           QZ       LYS  32  -5.420   4.885  -5.153
  352    H    GLN  33           H        GLN  33  -2.694   4.905   2.991
  353    HA   GLN  33           HA       GLN  33  -3.627   7.766   3.247
  354   1HB   GLN  33          2HB       GLN  33  -4.819   5.817   4.430
  355   2HB   GLN  33          1HB       GLN  33  -3.342   5.606   5.372
  356   1HG   GLN  33          2HG       GLN  33  -3.702   8.265   5.696
  357   2HG   GLN  33          1HG       GLN  33  -5.382   7.765   5.506
  358   1HE2  GLN  33          2HE2      GLN  33  -4.852   5.375   8.381
  359   2HE2  GLN  33          1HE2      GLN  33  -5.158   5.150   6.727
  360    QB   GLN  33           QB       GLN  33  -4.080   5.712   4.901
  361    QG   GLN  33           QG       GLN  33  -4.542   8.015   5.601
  362    QE2  GLN  33           QE2      GLN  33  -5.005   5.263   7.554
  363    H    TYR  34           H        TYR  34  -1.418   5.307   4.313
  364    HA   TYR  34           HA       TYR  34   0.593   6.548   5.771
  365   1HB   TYR  34          2HB       TYR  34   0.059   4.159   4.731
  366   2HB   TYR  34          1HB       TYR  34   1.135   4.713   3.457
  367    HD1  TYR  34          1HD       TYR  34   3.494   5.254   3.902
  368    HD2  TYR  34          2HD       TYR  34   0.933   3.685   6.973
  369    HE1  TYR  34          1HE       TYR  34   5.483   4.729   5.291
  370    HE2  TYR  34          2HE       TYR  34   2.919   3.159   8.362
  371    HH   TYR  34           HH       TYR  34   5.700   2.715   7.497
  372    QB   TYR  34           QB       TYR  34   0.597   4.436   4.094
  373    QG   TYR  34           QD       TYR  34   2.213   4.469   5.438
  374    QZ   TYR  34           QE       TYR  34   4.201   3.944   6.826
  375    QR   TYR  34           QR       TYR  34   3.207   4.207   6.132
  376    H    ALA  35           H        ALA  35   0.399   6.216   2.234
  377    HA   ALA  35           HA       ALA  35   2.726   7.714   1.513
  378   1HB   ALA  35          2HB       ALA  35   0.152   6.845   0.218
  379   2HB   ALA  35          1HB       ALA  35   1.231   7.937  -0.654
  380   3HB   ALA  35          3HB       ALA  35   1.807   6.349  -0.143
  381    QB   ALA  35           QB       ALA  35   1.063   7.044  -0.193
  382    H    ASN  36           H        ASN  36  -0.718   8.727   1.463
  383    HA   ASN  36           HA       ASN  36  -0.359  11.441   0.758
  384   1HB   ASN  36          2HB       ASN  36  -2.372   9.868   2.332
  385   2HB   ASN  36          1HB       ASN  36  -2.552  11.616   2.182
  386   1HD2  ASN  36          2HD2      ASN  36  -3.055   9.258  -1.138
  387   2HD2  ASN  36          1HD2      ASN  36  -2.296   8.617   0.237
  388    QB   ASN  36           QB       ASN  36  -2.462  10.742   2.257
  389    QD2  ASN  36           QD2      ASN  36  -2.675   8.938  -0.450
  390    H    ASP  37           H        ASP  37  -0.497  10.000   4.023
  391    HA   ASP  37           HA       ASP  37  -0.173  12.415   5.502
  392   1HB   ASP  37          2HB       ASP  37   0.649   9.560   6.104
  393   2HB   ASP  37          1HB       ASP  37   0.509  10.839   7.312
  394    QB   ASP  37           QB       ASP  37   0.579  10.200   6.708
  395    H    ASN  38           H        ASN  38   2.114  10.668   3.611
  396    HA   ASN  38           HA       ASN  38   4.382  12.018   4.937
  397   1HB   ASN  38          2HB       ASN  38   4.396   9.551   4.768
  398   2HB   ASN  38          1HB       ASN  38   4.270   9.683   3.015
  399   1HD2  ASN  38          2HD2      ASN  38   7.883  10.027   4.764
  400   2HD2  ASN  38          1HD2      ASN  38   6.493   9.573   5.627
  401    QB   ASN  38           QB       ASN  38   4.333   9.617   3.891
  402    QD2  ASN  38           QD2      ASN  38   7.188   9.800   5.196
  403    H    GLY  39           H        GLY  39   2.644  11.720   1.899
  404   1HA   GLY  39          2HA       GLY  39   2.722  13.711   0.395
  405   2HA   GLY  39          1HA       GLY  39   4.450  13.804   0.731
  406    QA   GLY  39           QA       GLY  39   3.586  13.757   0.563
  407    H    ILE  40           H        ILE  40   2.791  10.757   0.166
  408    HA   ILE  40           HA       ILE  40   4.464  10.354  -2.271
  409    HB   ILE  40           HB       ILE  40   3.271   8.717  -0.084
  410   1HG1  ILE  40          2HG1      ILE  40   5.517   7.612  -0.287
  411   2HG1  ILE  40          1HG1      ILE  40   5.896   8.777  -1.558
  412   1HG2  ILE  40          3HG2      ILE  40   2.416   7.649  -2.219
  413   2HG2  ILE  40          2HG2      ILE  40   4.104   7.399  -2.668
  414   3HG2  ILE  40          1HG2      ILE  40   3.449   6.627  -1.221
  415   1HD1  ILE  40          3HD1      ILE  40   4.877   9.659   1.130
  416   2HD1  ILE  40          2HD1      ILE  40   6.601   9.388   0.843
  417   3HD1  ILE  40          1HD1      ILE  40   5.728  10.611  -0.091
  418    QG1  ILE  40           QG1      ILE  40   5.707   8.194  -0.923
  419    QG2  ILE  40           QG2      ILE  40   3.323   7.225  -2.036
  420    QD1  ILE  40           QD1      ILE  40   5.736   9.886   0.627
  421    H    ASP  41           H        ASP  41   3.394  10.871  -4.103
  422    HA   ASP  41           HA       ASP  41   0.670   9.775  -4.563
  423   1HB   ASP  41          2HB       ASP  41   0.883  12.234  -3.498
  424   2HB   ASP  41          1HB       ASP  41   1.058  12.661  -5.200
  425    QB   ASP  41           QB       ASP  41   0.971  12.448  -4.349
  426    H    GLY  42           H        GLY  42   1.117   8.656  -6.432
  427   1HA   GLY  42          2HA       GLY  42   1.812  10.161  -8.837
  428   2HA   GLY  42          1HA       GLY  42   3.040   8.991  -8.367
  429    QA   GLY  42           QA       GLY  42   2.426   9.576  -8.602
  430    H    GLU  43           H        GLU  43   2.602   6.764  -8.623
  431    HA   GLU  43           HA       GLU  43  -0.017   6.103  -9.954
  432   1HB   GLU  43          2HB       GLU  43   2.361   6.245 -11.186
  433   2HB   GLU  43          1HB       GLU  43   2.476   4.593 -10.576
  434   1HG   GLU  43          2HG       GLU  43  -0.013   4.464 -11.543
  435   2HG   GLU  43          1HG       GLU  43   0.600   5.741 -12.595
  436    QB   GLU  43           QB       GLU  43   2.419   5.419 -10.881
  437    QG   GLU  43           QG       GLU  43   0.294   5.103 -12.069
  438    H    TRP  44           H        TRP  44  -1.152   4.595  -8.806
  439    HA   TRP  44           HA       TRP  44   0.271   2.794  -6.862
  440   1HB   TRP  44          2HB       TRP  44  -2.490   3.957  -7.197
  441   2HB   TRP  44          1HB       TRP  44  -2.282   2.478  -6.253
  442    HD1  TRP  44           HD       TRP  44  -1.286   6.176  -6.279
  443    HE1  TRP  44          1HE       TRP  44  -0.469   6.802  -3.913
  444    HE3  TRP  44          3HE       TRP  44  -1.313   1.564  -4.120
  445    HZ2  TRP  44          2HZ       TRP  44   0.106   5.499  -1.425
  446    HZ3  TRP  44          3HZ       TRP  44  -0.626   1.280  -1.751
  447    HH2  TRP  44           HH       TRP  44   0.090   3.237  -0.411
  448    QB   TRP  44           QB       TRP  44  -2.386   3.218  -6.725
  449    H    THR  45           H        THR  45   0.249   0.596  -7.181
  450    HA   THR  45           HA       THR  45  -1.660  -0.607  -9.121
  451    HB   THR  45           HB       THR  45   0.067  -1.580 -10.460
  452    HG1  THR  45          1HG       THR  45   2.252  -1.380  -9.868
  453   1HG2  THR  45          2HG2      THR  45  -0.335   0.830 -10.909
  454   2HG2  THR  45          1HG2      THR  45   0.994   1.226  -9.815
  455   3HG2  THR  45          3HG2      THR  45   1.312   0.339 -11.308
  456    QG2  THR  45           QG2      THR  45   0.657   0.799 -10.677
  457    H    TYR  46           H        TYR  46  -2.341  -2.546  -8.330
  458    HA   TYR  46           HA       TYR  46  -0.985  -3.629  -5.917
  459   1HB   TYR  46          2HB       TYR  46  -3.360  -3.223  -5.754
  460   2HB   TYR  46          1HB       TYR  46  -3.668  -4.110  -7.249
  461    HD1  TYR  46          1HD       TYR  46  -1.777  -4.729  -4.062
  462    HD2  TYR  46          2HD       TYR  46  -4.595  -6.228  -6.935
  463    HE1  TYR  46          1HE       TYR  46  -1.956  -6.843  -2.782
  464    HE2  TYR  46          2HE       TYR  46  -4.774  -8.344  -5.652
  465    HH   TYR  46           HH       TYR  46  -4.405  -9.153  -3.384
  466    QB   TYR  46           QB       TYR  46  -3.514  -3.666  -6.502
  467    QG   TYR  46           QD       TYR  46  -3.186  -5.479  -5.498
  468    QZ   TYR  46           QE       TYR  46  -3.365  -7.594  -4.217
  469    QR   TYR  46           QR       TYR  46  -3.275  -6.536  -4.858
  470    H    ASP  47           H        ASP  47  -0.101  -5.716  -5.880
  471    HA   ASP  47           HA       ASP  47   0.102  -7.118  -8.524
  472   1HB   ASP  47          2HB       ASP  47   1.960  -7.061  -6.119
  473   2HB   ASP  47          1HB       ASP  47   2.262  -7.947  -7.613
  474    QB   ASP  47           QB       ASP  47   2.111  -7.504  -6.866
  475    H    ASP  48           H        ASP  48  -1.570  -8.620  -8.364
  476    HA   ASP  48           HA       ASP  48  -2.280 -10.014  -5.931
  477   1HB   ASP  48          2HB       ASP  48  -3.700 -11.319  -7.501
  478   2HB   ASP  48          1HB       ASP  48  -3.831  -9.585  -7.783
  479    QB   ASP  48           QB       ASP  48  -3.766 -10.452  -7.642
  480    H    ALA  49           H        ALA  49   0.432 -10.411  -7.896
  481    HA   ALA  49           HA       ALA  49   0.597 -13.346  -7.673
  482   1HB   ALA  49          2HB       ALA  49   1.357 -11.831  -9.628
  483   2HB   ALA  49          1HB       ALA  49   2.721 -11.401  -8.595
  484   3HB   ALA  49          3HB       ALA  49   2.487 -13.076  -9.096
  485    QB   ALA  49           QB       ALA  49   2.188 -12.103  -9.106
  486    H    THR  50           H        THR  50   1.799 -10.440  -6.097
  487    HA   THR  50           HA       THR  50   3.238 -12.172  -4.117
  488    HB   THR  50           HB       THR  50   4.945 -10.356  -4.044
  489    HG1  THR  50          1HG       THR  50   3.497  -9.338  -6.258
  490   1HG2  THR  50          3HG2      THR  50   4.920 -12.364  -5.712
  491   2HG2  THR  50          2HG2      THR  50   4.588 -11.128  -6.925
  492   3HG2  THR  50          1HG2      THR  50   6.071 -11.053  -5.974
  493    QG2  THR  50           QG2      THR  50   5.193 -11.515  -6.204
  494    H    LYS  51           H        LYS  51   0.588 -10.315  -4.488
  495    HA   LYS  51           HA       LYS  51  -0.738  -9.001  -3.048
  496   1HB   LYS  51          2HB       LYS  51   1.070 -10.449  -1.081
  497   2HB   LYS  51          1HB       LYS  51  -0.411  -9.602  -0.635
  498   1HG   LYS  51          2HG       LYS  51  -0.680 -11.546  -2.857
  499   2HG   LYS  51          1HG       LYS  51  -0.331 -12.245  -1.277
  500   1HD   LYS  51          2HD       LYS  51  -2.224 -10.642  -0.436
  501   2HD   LYS  51          1HD       LYS  51  -2.705 -10.609  -2.132
  502   1HE   LYS  51          2HE       LYS  51  -2.438 -13.259  -1.889
  503   2HE   LYS  51          1HE       LYS  51  -2.784 -12.882  -0.190
  504   1HZ   LYS  51          1HZ       LYS  51  -4.370 -11.876  -2.494
  505   2HZ   LYS  51          3HZ       LYS  51  -4.818 -13.201  -1.535
  506   3HZ   LYS  51          2HZ       LYS  51  -4.719 -11.650  -0.847
  507    QB   LYS  51           QB       LYS  51   0.329 -10.025  -0.858
  508    QG   LYS  51           QG       LYS  51  -0.505 -11.895  -2.067
  509    QD   LYS  51           QD       LYS  51  -2.464 -10.626  -1.284
  510    QE   LYS  51           QE       LYS  51  -2.611 -13.071  -1.040
  511    QZ   LYS  51           QZ       LYS  51  -4.636 -12.242  -1.625
  512    H    THR  52           H        THR  52   1.500  -7.651  -4.194
  513    HA   THR  52           HA       THR  52   2.212  -5.757  -1.966
  514    HB   THR  52           HB       THR  52   3.931  -6.387  -4.374
  515    HG1  THR  52          1HG       THR  52   5.019  -7.830  -2.931
  516   1HG2  THR  52          3HG2      THR  52   4.538  -5.315  -1.603
  517   2HG2  THR  52          2HG2      THR  52   5.720  -5.568  -2.888
  518   3HG2  THR  52          1HG2      THR  52   4.454  -4.355  -3.081
  519    QG2  THR  52           QG2      THR  52   4.904  -5.079  -2.524
  520    H    PHE  53           H        PHE  53   1.927  -3.572  -2.455
  521    HA   PHE  53           HA       PHE  53   0.602  -2.951  -5.032
  522   1HB   PHE  53          2HB       PHE  53   1.016  -1.469  -2.424
  523   2HB   PHE  53          1HB       PHE  53   0.162  -0.774  -3.803
  524    HD1  PHE  53          2HD       PHE  53   0.153  -3.648  -1.416
  525    HD2  PHE  53          1HD       PHE  53  -2.115  -1.343  -4.255
  526    HE1  PHE  53          2HE       PHE  53  -1.925  -4.835  -0.729
  527    HE2  PHE  53          1HE       PHE  53  -4.174  -2.532  -3.567
  528   1HZ   PHE  53           HZ       PHE  53  -4.080  -4.275  -1.810
  529    QB   PHE  53           QB       PHE  53   0.589  -1.122  -3.114
  530    QG   PHE  53           QD       PHE  53  -0.981  -2.495  -2.835
  531    QZ   PHE  53           QE       PHE  53  -3.050  -3.684  -2.148
  532    QZ   PHE  53           QR       PHE  53  -2.428  -3.326  -2.355
  533    H    THR  54           H        THR  54   1.333  -0.315  -5.544
  534    HA   THR  54           HA       THR  54   4.255  -0.013  -5.394
  535    HB   THR  54           HB       THR  54   3.185  -0.015  -8.177
  536    HG1  THR  54          1HG       THR  54   2.364  -1.944  -7.789
  537   1HG2  THR  54          2HG2      THR  54   5.622   0.344  -7.182
  538   2HG2  THR  54          1HG2      THR  54   5.664  -1.416  -7.279
  539   3HG2  THR  54          3HG2      THR  54   5.378  -0.458  -8.733
  540    QG2  THR  54           QG2      THR  54   5.555  -0.510  -7.731
  541    H    VAL  55           H        VAL  55   3.899   2.015  -4.541
  542    HA   VAL  55           HA       VAL  55   2.099   3.856  -6.029
  543    HB   VAL  55           HB       VAL  55   1.569   3.631  -3.710
  544   1HG1  VAL  55          3HG1      VAL  55   4.511   4.113  -3.204
  545   2HG1  VAL  55          2HG1      VAL  55   3.283   4.236  -1.945
  546   3HG1  VAL  55          1HG1      VAL  55   3.543   2.699  -2.771
  547   1HG2  VAL  55          3HG2      VAL  55   1.585   5.957  -4.683
  548   2HG2  VAL  55          2HG2      VAL  55   1.745   5.905  -2.926
  549   3HG2  VAL  55          1HG2      VAL  55   3.164   6.193  -3.936
  550    QG1  VAL  55           QG1      VAL  55   3.779   3.683  -2.640
  551    QG2  VAL  55           QG2      VAL  55   2.165   6.018  -3.848
  552    QQG  VAL  55           QQG      VAL  55   2.972   4.850  -3.244
  553    H    THR  56           H        THR  56   3.130   4.928  -7.588
  554    HA   THR  56           HA       THR  56   5.951   5.752  -7.310
  555    HB   THR  56           HB       THR  56   3.850   5.442  -9.405
  556    HG1  THR  56          1HG       THR  56   5.355   4.222 -10.217
  557   1HG2  THR  56          1HG2      THR  56   4.425   7.827  -9.711
  558   2HG2  THR  56          3HG2      THR  56   6.135   7.399  -9.804
  559   3HG2  THR  56          2HG2      THR  56   5.017   6.844 -11.051
  560    QG2  THR  56           QG2      THR  56   5.192   7.357 -10.189
  561    H    GLU  57           H        GLU  57   6.325   8.185  -7.994
  562    HA   GLU  57           HA       GLU  57   4.219   9.921  -6.748
  563   1HB   GLU  57          2HB       GLU  57   6.109   9.440  -5.216
  564   2HB   GLU  57          1HB       GLU  57   7.241  10.040  -6.428
  565   1HG   GLU  57          2HG       GLU  57   5.018  11.879  -5.735
  566   2HG   GLU  57          1HG       GLU  57   6.201  11.597  -4.458
  567    QB   GLU  57           QB       GLU  57   6.675   9.740  -5.822
  568    QG   GLU  57           QG       GLU  57   5.610  11.738  -5.096
   
  No H/Q in entry =         568
  Start of MODEL   21
    1   1H    MET   1          3HT       MET   1  -4.058 -13.807   8.075
    2   2H    MET   1          2HT       MET   1  -3.306 -14.281   9.523
    3   3H    MET   1          1HT       MET   1  -3.384 -12.638   9.101
    4    HA   MET   1           HA       MET   1  -1.174 -13.350   8.630
    5   1HB   MET   1          2HB       MET   1  -2.442 -15.779   8.441
    6   2HB   MET   1          1HB       MET   1  -2.051 -15.461   6.751
    7   1HG   MET   1          2HG       MET   1  -0.094 -16.498   7.461
    8   2HG   MET   1          1HG       MET   1   0.309 -14.805   7.745
    9   1HE   MET   1          2HE       MET   1  -1.131 -17.897   8.802
   10   2HE   MET   1          1HE       MET   1  -0.257 -18.311  10.274
   11   3HE   MET   1          3HE       MET   1  -1.841 -17.529  10.372
   12    QB   MET   1           QB       MET   1  -2.247 -15.620   7.596
   13    QG   MET   1           QG       MET   1   0.107 -15.652   7.603
   14    QE   MET   1           QE       MET   1  -1.076 -17.912   9.816
   15    H    THR   2           H        THR   2  -3.086 -11.489   7.494
   16    HA   THR   2           HA       THR   2  -2.547 -11.652   4.558
   17    HB   THR   2           HB       THR   2  -4.424  -9.909   6.191
   18    HG1  THR   2          1HG       THR   2  -5.211 -11.922   6.317
   19   1HG2  THR   2          1HG2      THR   2  -3.802 -10.172   3.281
   20   2HG2  THR   2          3HG2      THR   2  -5.480  -9.893   3.743
   21   3HG2  THR   2          2HG2      THR   2  -4.233  -8.736   4.209
   22    QG2  THR   2           QG2      THR   2  -4.505  -9.600   3.745
   23    H    THR   3           H        THR   3  -0.254 -11.004   5.869
   24    HA   THR   3           HA       THR   3   0.069  -8.169   6.414
   25    HB   THR   3           HB       THR   3   2.209 -10.166   5.649
   26    HG1  THR   3          1HG       THR   3   1.923 -11.151   7.498
   27   1HG2  THR   3          2HG2      THR   3   2.435  -7.551   6.284
   28   2HG2  THR   3          1HG2      THR   3   2.462  -8.249   7.904
   29   3HG2  THR   3          3HG2      THR   3   3.660  -8.748   6.709
   30    QG2  THR   3           QG2      THR   3   2.852  -8.183   6.966
   31    H    PHE   4           H        PHE   4  -0.769  -7.121   4.497
   32    HA   PHE   4           HA       PHE   4   0.319  -7.692   1.848
   33   1HB   PHE   4          2HB       PHE   4  -1.567  -5.790   3.159
   34   2HB   PHE   4          1HB       PHE   4  -0.873  -5.283   1.619
   35    HD1  PHE   4          1HD       PHE   4  -0.867  -7.116  -0.274
   36    HD2  PHE   4          2HD       PHE   4  -3.470  -7.153   3.138
   37    HE1  PHE   4          1HE       PHE   4  -2.427  -8.610  -1.484
   38    HE2  PHE   4          2HE       PHE   4  -5.035  -8.645   1.925
   39   1HZ   PHE   4           HZ       PHE   4  -4.514  -9.377  -0.386
   40    QB   PHE   4           QB       PHE   4  -1.220  -5.537   2.389
   41    QG   PHE   4           QD       PHE   4  -2.168  -7.135   1.432
   42    QZ   PHE   4           QE       PHE   4  -3.731  -8.628   0.220
   43    QZ   PHE   4           QR       PHE   4  -3.263  -8.180   0.584
   44    H    LYS   5           H        LYS   5   1.946  -6.539   0.768
   45    HA   LYS   5           HA       LYS   5   3.607  -4.737   2.476
   46   1HB   LYS   5          2HB       LYS   5   4.189  -6.265  -0.087
   47   2HB   LYS   5          1HB       LYS   5   5.376  -5.348   0.841
   48   1HG   LYS   5          2HG       LYS   5   4.478  -6.881   2.827
   49   2HG   LYS   5          1HG       LYS   5   4.063  -7.955   1.491
   50   1HD   LYS   5          2HD       LYS   5   6.793  -6.714   1.563
   51   2HD   LYS   5          1HD       LYS   5   6.454  -8.099   2.601
   52   1HE   LYS   5          2HE       LYS   5   5.601  -9.318   0.545
   53   2HE   LYS   5          1HE       LYS   5   6.243  -7.976  -0.424
   54   1HZ   LYS   5          1HZ       LYS   5   8.396  -8.293   0.659
   55   2HZ   LYS   5          3HZ       LYS   5   7.781  -9.622   1.516
   56   3HZ   LYS   5          2HZ       LYS   5   7.917  -9.693  -0.176
   57    QB   LYS   5           QB       LYS   5   4.782  -5.807   0.377
   58    QG   LYS   5           QG       LYS   5   4.271  -7.418   2.159
   59    QD   LYS   5           QD       LYS   5   6.624  -7.406   2.082
   60    QE   LYS   5           QE       LYS   5   5.922  -8.647   0.060
   61    QZ   LYS   5           QZ       LYS   5   8.031  -9.203   0.666
   62    H    LEU   6           H        LEU   6   4.937  -3.178   0.800
   63    HA   LEU   6           HA       LEU   6   3.352  -2.106  -1.406
   64   1HB   LEU   6          2HB       LEU   6   2.032  -1.293   0.478
   65   2HB   LEU   6          1HB       LEU   6   3.479  -0.683   1.276
   66    HG   LEU   6           HG       LEU   6   3.649   0.620  -1.124
   67   1HD1  LEU   6          3HD1      LEU   6   0.819  -0.159  -0.698
   68   2HD1  LEU   6          2HD1      LEU   6   1.111   1.523  -1.147
   69   3HD1  LEU   6          1HD1      LEU   6   1.675   0.223  -2.192
   70   1HD2  LEU   6          3HD2      LEU   6   3.391   1.313   1.496
   71   2HD2  LEU   6          2HD2      LEU   6   3.406   2.480   0.176
   72   3HD2  LEU   6          1HD2      LEU   6   1.872   1.933   0.850
   73    QB   LEU   6           QB       LEU   6   2.756  -0.988   0.877
   74    QD1  LEU   6           QD1      LEU   6   1.202   0.529  -1.346
   75    QD2  LEU   6           QD2      LEU   6   2.890   1.909   0.841
   76    QQD  LEU   6           QQD      LEU   6   2.046   1.219  -0.253
   77    H    ILE   7           H        ILE   7   5.120  -1.816  -2.722
   78    HA   ILE   7           HA       ILE   7   7.646  -0.695  -1.649
   79    HB   ILE   7           HB       ILE   7   6.738  -1.623  -4.402
   80   1HG1  ILE   7          2HG1      ILE   7   8.736  -3.040  -2.666
   81   2HG1  ILE   7          1HG1      ILE   7   7.015  -3.241  -2.329
   82   1HG2  ILE   7          3HG2      ILE   7   8.605   0.036  -4.461
   83   2HG2  ILE   7          2HG2      ILE   7   9.536  -1.018  -3.396
   84   3HG2  ILE   7          1HG2      ILE   7   9.101  -1.564  -5.016
   85   1HD1  ILE   7          2HD1      ILE   7   6.772  -3.753  -4.847
   86   2HD1  ILE   7          1HD1      ILE   7   8.524  -3.951  -4.844
   87   3HD1  ILE   7          3HD1      ILE   7   7.517  -4.994  -3.839
   88    QG1  ILE   7           QG1      ILE   7   7.876  -3.140  -2.498
   89    QG2  ILE   7           QG2      ILE   7   9.080  -0.849  -4.291
   90    QD1  ILE   7           QD1      ILE   7   7.605  -4.233  -4.510
   91    H    ILE   8           H        ILE   8   7.751   1.547  -1.520
   92    HA   ILE   8           HA       ILE   8   5.881   3.136  -3.137
   93    HB   ILE   8           HB       ILE   8   7.967   3.933  -1.071
   94   1HG1  ILE   8          2HG1      ILE   8   5.875   4.498   0.258
   95   2HG1  ILE   8          1HG1      ILE   8   4.944   3.661  -0.975
   96   1HG2  ILE   8          3HG2      ILE   8   5.913   5.504  -2.644
   97   2HG2  ILE   8          2HG2      ILE   8   6.578   6.099  -1.120
   98   3HG2  ILE   8          1HG2      ILE   8   7.646   5.825  -2.497
   99   1HD1  ILE   8          1HD1      ILE   8   7.248   2.290   0.360
  100   2HD1  ILE   8          3HD1      ILE   8   5.668   2.350   1.146
  101   3HD1  ILE   8          2HD1      ILE   8   5.838   1.591  -0.438
  102    QG1  ILE   8           QG1      ILE   8   5.409   4.079  -0.358
  103    QG2  ILE   8           QG2      ILE   8   6.712   5.809  -2.087
  104    QD1  ILE   8           QD1      ILE   8   6.251   2.077   0.356
  105    H    ASN   9           H        ASN   9   6.464   3.791  -5.170
  106    HA   ASN   9           HA       ASN   9   9.339   3.828  -5.924
  107   1HB   ASN   9          2HB       ASN   9   7.603   2.607  -7.253
  108   2HB   ASN   9          1HB       ASN   9   6.804   4.148  -7.567
  109   1HD2  ASN   9          2HD2      ASN   9   9.071   5.101 -10.101
  110   2HD2  ASN   9          1HD2      ASN   9   7.696   5.511  -9.194
  111    QB   ASN   9           QB       ASN   9   7.204   3.377  -7.410
  112    QD2  ASN   9           QD2      ASN   9   8.383   5.306  -9.647
  113    H    GLY  10           H        GLY  10  10.308   5.728  -6.816
  114   1HA   GLY  10          2HA       GLY  10   9.897   8.066  -7.693
  115   2HA   GLY  10          1HA       GLY  10   8.783   8.261  -6.340
  116    QA   GLY  10           QA       GLY  10   9.340   8.164  -7.016
  117    H    LYS  11           H        LYS  11   9.703   9.596  -4.865
  118    HA   LYS  11           HA       LYS  11  12.537   9.053  -4.058
  119   1HB   LYS  11          2HB       LYS  11  12.846  11.517  -3.944
  120   2HB   LYS  11          1HB       LYS  11  12.435  10.985  -5.573
  121   1HG   LYS  11          2HG       LYS  11  10.019  11.531  -5.037
  122   2HG   LYS  11          1HG       LYS  11  10.591  12.274  -3.545
  123   1HD   LYS  11          2HD       LYS  11  10.660  14.137  -4.891
  124   2HD   LYS  11          1HD       LYS  11  12.255  13.489  -5.268
  125   1HE   LYS  11          2HE       LYS  11  10.490  12.132  -7.006
  126   2HE   LYS  11          1HE       LYS  11   9.977  13.830  -7.037
  127   1HZ   LYS  11          2HZ       LYS  11  12.783  12.885  -7.314
  128   2HZ   LYS  11          1HZ       LYS  11  11.801  13.409  -8.598
  129   3HZ   LYS  11          3HZ       LYS  11  12.261  14.500  -7.383
  130    QB   LYS  11           QB       LYS  11  12.641  11.251  -4.759
  131    QG   LYS  11           QG       LYS  11  10.305  11.903  -4.291
  132    QD   LYS  11           QD       LYS  11  11.458  13.813  -5.079
  133    QE   LYS  11           QE       LYS  11  10.234  12.981  -7.022
  134    QZ   LYS  11           QZ       LYS  11  12.282  13.598  -7.765
  135    H    THR  12           H        THR  12   9.419  10.558  -3.152
  136    HA   THR  12           HA       THR  12  10.038  11.025  -0.390
  137    HB   THR  12           HB       THR  12   7.301  10.276  -1.391
  138    HG1  THR  12          1HG       THR  12   7.162  12.112  -2.530
  139   1HG2  THR  12          1HG2      THR  12   8.386  12.440   0.431
  140   2HG2  THR  12          3HG2      THR  12   6.683  12.225   0.028
  141   3HG2  THR  12          2HG2      THR  12   7.538  10.979   0.935
  142    QG2  THR  12           QG2      THR  12   7.535  11.882   0.465
  143    H    LEU  13           H        LEU  13  10.987   9.269   0.635
  144    HA   LEU  13           HA       LEU  13  11.104   7.217   1.746
  145   1HB   LEU  13          2HB       LEU  13   9.198   6.937   2.962
  146   2HB   LEU  13          1HB       LEU  13   8.532   8.259   2.017
  147    HG   LEU  13           HG       LEU  13   7.854   6.420   0.325
  148   1HD1  LEU  13          3HD1      LEU  13   9.269   4.788   1.986
  149   2HD1  LEU  13          2HD1      LEU  13   7.643   4.568   2.626
  150   3HD1  LEU  13          1HD1      LEU  13   7.977   4.216   0.930
  151   1HD2  LEU  13          3HD2      LEU  13   6.439   7.754   2.089
  152   2HD2  LEU  13          2HD2      LEU  13   5.730   6.336   1.315
  153   3HD2  LEU  13          1HD2      LEU  13   6.392   6.212   2.944
  154    QB   LEU  13           QB       LEU  13   8.865   7.598   2.490
  155    QD1  LEU  13           QD1      LEU  13   8.296   4.524   1.847
  156    QD2  LEU  13           QD2      LEU  13   6.187   6.767   2.116
  157    QQD  LEU  13           QQD      LEU  13   7.242   5.646   1.982
  158    H    LYS  14           H        LYS  14  11.244   4.948   1.232
  159    HA   LYS  14           HA       LYS  14  10.082   3.907  -1.211
  160   1HB   LYS  14          2HB       LYS  14  12.286   3.608  -2.337
  161   2HB   LYS  14          1HB       LYS  14  11.894   5.308  -2.088
  162   1HG   LYS  14          2HG       LYS  14  13.206   4.877   0.208
  163   2HG   LYS  14          1HG       LYS  14  13.978   3.629  -0.768
  164   1HD   LYS  14          2HD       LYS  14  15.350   5.431  -1.259
  165   2HD   LYS  14          1HD       LYS  14  14.151   5.593  -2.543
  166   1HE   LYS  14          2HE       LYS  14  12.953   7.298  -1.321
  167   2HE   LYS  14          1HE       LYS  14  13.936   7.020   0.130
  168   1HZ   LYS  14          2HZ       LYS  14  15.096   7.766  -2.497
  169   2HZ   LYS  14          1HZ       LYS  14  14.695   8.912  -1.309
  170   3HZ   LYS  14          3HZ       LYS  14  15.877   7.739  -0.989
  171    QB   LYS  14           QB       LYS  14  12.090   4.458  -2.212
  172    QG   LYS  14           QG       LYS  14  13.592   4.253  -0.280
  173    QD   LYS  14           QD       LYS  14  14.751   5.512  -1.901
  174    QE   LYS  14           QE       LYS  14  13.445   7.159  -0.596
  175    QZ   LYS  14           QZ       LYS  14  15.223   8.139  -1.598
  176    H    GLY  15           H        GLY  15   9.433   2.013  -0.248
  177   1HA   GLY  15          2HA       GLY  15  11.332  -0.050   0.313
  178   2HA   GLY  15          1HA       GLY  15  10.777   0.639   1.837
  179    QA   GLY  15           QA       GLY  15  11.054   0.294   1.075
  180    H    GLU  16           H        GLU  16  10.242  -2.033   1.115
  181    HA   GLU  16           HA       GLU  16   7.413  -2.114   0.228
  182   1HB   GLU  16          2HB       GLU  16   7.895  -4.487  -0.015
  183   2HB   GLU  16          1HB       GLU  16   9.233  -3.563  -0.694
  184   1HG   GLU  16          2HG       GLU  16  10.024  -3.842   1.925
  185   2HG   GLU  16          1HG       GLU  16   9.199  -5.372   1.631
  186    QB   GLU  16           QB       GLU  16   8.564  -4.025  -0.355
  187    QG   GLU  16           QG       GLU  16   9.612  -4.607   1.778
  188    H    ILE  17           H        ILE  17   7.315  -0.866   2.605
  189    HA   ILE  17           HA       ILE  17   7.449  -2.294   5.029
  190    HB   ILE  17           HB       ILE  17   5.698  -0.661   5.766
  191   1HG1  ILE  17          2HG1      ILE  17   5.685   0.444   2.970
  192   2HG1  ILE  17          1HG1      ILE  17   4.569  -0.855   3.389
  193   1HG2  ILE  17          3HG2      ILE  17   8.187  -0.112   5.358
  194   2HG2  ILE  17          2HG2      ILE  17   7.632   0.711   3.900
  195   3HG2  ILE  17          1HG2      ILE  17   7.068   1.246   5.483
  196   1HD1  ILE  17          1HD1      ILE  17   4.827   1.757   4.906
  197   2HD1  ILE  17          3HD1      ILE  17   3.560   1.393   3.733
  198   3HD1  ILE  17          2HD1      ILE  17   3.664   0.472   5.234
  199    QG1  ILE  17           QG1      ILE  17   5.127  -0.206   3.180
  200    QG2  ILE  17           QG2      ILE  17   7.629   0.615   4.914
  201    QD1  ILE  17           QD1      ILE  17   4.017   1.207   4.624
  202    H    THR  18           H        THR  18   5.997  -3.673   6.136
  203    HA   THR  18           HA       THR  18   3.826  -4.862   4.440
  204    HB   THR  18           HB       THR  18   4.281  -6.900   5.772
  205    HG1  THR  18          1HG       THR  18   5.087  -6.462   7.656
  206   1HG2  THR  18          3HG2      THR  18   5.870  -5.835   3.796
  207   2HG2  THR  18          2HG2      THR  18   7.042  -6.161   5.072
  208   3HG2  THR  18          1HG2      THR  18   6.034  -7.466   4.448
  209    QG2  THR  18           QG2      THR  18   6.315  -6.487   4.438
  210    H    ILE  19           H        ILE  19   1.760  -4.997   5.285
  211    HA   ILE  19           HA       ILE  19   1.320  -4.424   8.173
  212    HB   ILE  19           HB       ILE  19  -0.312  -2.650   7.583
  213   1HG1  ILE  19          2HG1      ILE  19   0.195  -1.842   5.050
  214   2HG1  ILE  19          1HG1      ILE  19   0.381  -3.584   4.844
  215   1HG2  ILE  19          2HG2      ILE  19   2.150  -2.182   8.002
  216   2HG2  ILE  19          1HG2      ILE  19   2.350  -2.104   6.250
  217   3HG2  ILE  19          3HG2      ILE  19   1.298  -0.949   7.070
  218   1HD1  ILE  19          1HD1      ILE  19  -1.878  -3.607   6.279
  219   2HD1  ILE  19          3HD1      ILE  19  -2.052  -2.005   5.561
  220   3HD1  ILE  19          2HD1      ILE  19  -1.899  -3.426   4.525
  221    QG1  ILE  19           QG1      ILE  19   0.288  -2.713   4.947
  222    QG2  ILE  19           QG2      ILE  19   1.933  -1.745   7.107
  223    QD1  ILE  19           QD1      ILE  19  -1.943  -3.013   5.455
  224    H    GLU  20           H        GLU  20  -0.308  -5.698   8.960
  225    HA   GLU  20           HA       GLU  20  -1.640  -7.636   7.269
  226   1HB   GLU  20          2HB       GLU  20  -2.755  -8.227   9.411
  227   2HB   GLU  20          1HB       GLU  20  -1.016  -8.031   9.618
  228   1HG   GLU  20          2HG       GLU  20  -1.944  -5.466  10.055
  229   2HG   GLU  20          1HG       GLU  20  -3.231  -6.451  10.748
  230    QB   GLU  20           QB       GLU  20  -1.885  -8.129   9.514
  231    QG   GLU  20           QG       GLU  20  -2.587  -5.958  10.402
  232    H    ALA  21           H        ALA  21  -3.942  -7.775   6.857
  233    HA   ALA  21           HA       ALA  21  -5.749  -5.581   7.512
  234   1HB   ALA  21          3HB       ALA  21  -4.228  -5.711   4.941
  235   2HB   ALA  21          2HB       ALA  21  -5.909  -5.180   4.867
  236   3HB   ALA  21          1HB       ALA  21  -4.749  -4.300   5.863
  237    QB   ALA  21           QB       ALA  21  -4.962  -5.063   5.224
  238    H    VAL  22           H        VAL  22  -7.920  -6.005   6.683
  239    HA   VAL  22           HA       VAL  22  -8.766  -8.687   6.691
  240    HB   VAL  22           HB       VAL  22 -10.184  -6.710   7.097
  241   1HG1  VAL  22          2HG1      VAL  22  -9.015  -5.508   5.052
  242   2HG1  VAL  22          1HG1      VAL  22 -10.357  -6.204   4.144
  243   3HG1  VAL  22          3HG1      VAL  22 -10.676  -5.106   5.486
  244   1HG2  VAL  22          3HG2      VAL  22 -11.162  -8.911   6.281
  245   2HG2  VAL  22          2HG2      VAL  22 -12.166  -7.491   5.985
  246   3HG2  VAL  22          1HG2      VAL  22 -11.224  -8.195   4.669
  247    QG1  VAL  22           QG1      VAL  22 -10.016  -5.606   4.894
  248    QG2  VAL  22           QG2      VAL  22 -11.517  -8.199   5.645
  249    QQG  VAL  22           QQG      VAL  22 -10.767  -6.903   5.270
  250    H    ASP  23           H        ASP  23  -7.789  -6.639   3.986
  251    HA   ASP  23           HA       ASP  23  -7.304  -8.948   2.266
  252   1HB   ASP  23          2HB       ASP  23  -9.018  -8.278   0.586
  253   2HB   ASP  23          1HB       ASP  23  -9.753  -8.734   2.119
  254    QB   ASP  23           QB       ASP  23  -9.386  -8.506   1.352
  255    H    ALA  24           H        ALA  24  -6.796  -7.964  -0.088
  256    HA   ALA  24           HA       ALA  24  -4.677  -6.057   0.241
  257   1HB   ALA  24          1HB       ALA  24  -5.375  -7.865  -1.628
  258   2HB   ALA  24          3HB       ALA  24  -6.007  -6.414  -2.407
  259   3HB   ALA  24          2HB       ALA  24  -4.297  -6.515  -1.987
  260    QB   ALA  24           QB       ALA  24  -5.226  -6.931  -2.007
  261    H    ALA  25           H        ALA  25  -8.095  -5.729  -0.542
  262    HA   ALA  25           HA       ALA  25  -8.151  -3.111  -1.612
  263   1HB   ALA  25          3HB       ALA  25 -10.081  -4.676   0.123
  264   2HB   ALA  25          2HB       ALA  25 -10.506  -3.157  -0.665
  265   3HB   ALA  25          1HB       ALA  25 -10.082  -4.565  -1.638
  266    QB   ALA  25           QB       ALA  25 -10.223  -4.132  -0.727
  267    H    GLU  26           H        GLU  26  -8.403  -4.205   1.777
  268    HA   GLU  26           HA       GLU  26  -8.542  -1.557   2.932
  269   1HB   GLU  26          2HB       GLU  26  -9.235  -3.776   3.950
  270   2HB   GLU  26          1HB       GLU  26  -7.523  -4.143   4.156
  271   1HG   GLU  26          2HG       GLU  26  -7.213  -2.300   5.652
  272   2HG   GLU  26          1HG       GLU  26  -8.794  -1.627   5.256
  273    QB   GLU  26           QB       GLU  26  -8.379  -3.960   4.053
  274    QG   GLU  26           QG       GLU  26  -8.003  -1.964   5.454
  275    H    ALA  27           H        ALA  27  -5.884  -3.850   2.322
  276    HA   ALA  27           HA       ALA  27  -3.744  -2.440   3.550
  277   1HB   ALA  27          1HB       ALA  27  -4.143  -4.468   1.427
  278   2HB   ALA  27          3HB       ALA  27  -2.616  -3.588   1.332
  279   3HB   ALA  27          2HB       ALA  27  -3.031  -4.484   2.795
  280    QB   ALA  27           QB       ALA  27  -3.264  -4.180   1.851
  281    H    GLU  28           H        GLU  28  -5.027  -2.203   0.216
  282    HA   GLU  28           HA       GLU  28  -3.240  -0.214  -0.769
  283   1HB   GLU  28          2HB       GLU  28  -5.142  -1.697  -1.860
  284   2HB   GLU  28          1HB       GLU  28  -6.149  -0.288  -1.525
  285   1HG   GLU  28          2HG       GLU  28  -4.115   1.010  -2.638
  286   2HG   GLU  28          1HG       GLU  28  -3.828  -0.552  -3.405
  287    QB   GLU  28           QB       GLU  28  -5.646  -0.993  -1.692
  288    QG   GLU  28           QG       GLU  28  -3.971   0.229  -3.021
  289    H    LYS  29           H        LYS  29  -6.225   0.044   1.145
  290    HA   LYS  29           HA       LYS  29  -6.428   2.940   1.017
  291   1HB   LYS  29          2HB       LYS  29  -7.486   0.785   2.871
  292   2HB   LYS  29          1HB       LYS  29  -7.926   2.484   3.038
  293   1HG   LYS  29          2HG       LYS  29  -8.193   1.436   0.292
  294   2HG   LYS  29          1HG       LYS  29  -9.269   0.676   1.462
  295   1HD   LYS  29          2HD       LYS  29 -10.531   2.522   0.775
  296   2HD   LYS  29          1HD       LYS  29  -9.745   3.137   2.228
  297   1HE   LYS  29          2HE       LYS  29  -8.348   4.545   1.041
  298   2HE   LYS  29          1HE       LYS  29  -8.284   3.462  -0.364
  299   1HZ   LYS  29          1HZ       LYS  29 -10.684   4.986   0.507
  300   2HZ   LYS  29          3HZ       LYS  29  -9.675   5.428  -0.783
  301   3HZ   LYS  29          2HZ       LYS  29 -10.571   3.987  -0.863
  302    QB   LYS  29           QB       LYS  29  -7.706   1.634   2.954
  303    QG   LYS  29           QG       LYS  29  -8.731   1.056   0.877
  304    QD   LYS  29           QD       LYS  29 -10.138   2.829   1.501
  305    QE   LYS  29           QE       LYS  29  -8.316   4.004   0.338
  306    QZ   LYS  29           QZ       LYS  29 -10.310   4.800  -0.380
  307    H    ILE  30           H        ILE  30  -5.264   0.674   3.533
  308    HA   ILE  30           HA       ILE  30  -4.254   2.594   5.385
  309    HB   ILE  30           HB       ILE  30  -3.302  -0.211   4.678
  310   1HG1  ILE  30          2HG1      ILE  30  -5.055   0.478   7.016
  311   2HG1  ILE  30          1HG1      ILE  30  -5.783   0.324   5.416
  312   1HG2  ILE  30          2HG2      ILE  30  -1.713   1.176   6.076
  313   2HG2  ILE  30          1HG2      ILE  30  -2.987   1.301   7.289
  314   3HG2  ILE  30          3HG2      ILE  30  -2.309  -0.275   6.882
  315   1HD1  ILE  30          2HD1      ILE  30  -3.888  -1.810   6.314
  316   2HD1  ILE  30          1HD1      ILE  30  -5.513  -1.795   7.003
  317   3HD1  ILE  30          3HD1      ILE  30  -5.296  -1.934   5.258
  318    QG1  ILE  30           QG1      ILE  30  -5.419   0.401   6.216
  319    QG2  ILE  30           QG2      ILE  30  -2.336   0.734   6.749
  320    QD1  ILE  30           QD1      ILE  30  -4.899  -1.846   6.191
  321    H    PHE  31           H        PHE  31  -2.886   1.146   2.479
  322    HA   PHE  31           HA       PHE  31  -0.227   2.314   2.806
  323   1HB   PHE  31          2HB       PHE  31  -1.781   0.820   0.696
  324   2HB   PHE  31          1HB       PHE  31  -0.240   1.564   0.282
  325    HD1  PHE  31          1HD       PHE  31   1.411   1.195   2.641
  326    HD2  PHE  31          2HD       PHE  31  -1.465  -1.474   0.895
  327    HE1  PHE  31          1HE       PHE  31   2.604  -0.739   3.634
  328    HE2  PHE  31          2HE       PHE  31  -0.270  -3.407   1.887
  329   1HZ   PHE  31           HZ       PHE  31   1.765  -3.039   3.255
  330    QB   PHE  31           QB       PHE  31  -1.010   1.192   0.489
  331    QG   PHE  31           QD       PHE  31  -0.027  -0.139   1.768
  332    QZ   PHE  31           QE       PHE  31   1.167  -2.073   2.761
  333    QZ   PHE  31           QR       PHE  31   0.809  -1.493   2.463
  334    H    LYS  32           H        LYS  32  -3.214   3.088   1.073
  335    HA   LYS  32           HA       LYS  32  -2.115   5.362  -0.336
  336   1HB   LYS  32          2HB       LYS  32  -4.827   4.157   0.107
  337   2HB   LYS  32          1HB       LYS  32  -4.662   5.714  -0.703
  338   1HG   LYS  32          2HG       LYS  32  -3.278   4.771  -2.425
  339   2HG   LYS  32          1HG       LYS  32  -3.137   3.242  -1.557
  340   1HD   LYS  32          2HD       LYS  32  -5.263   2.559  -2.139
  341   2HD   LYS  32          1HD       LYS  32  -5.887   4.206  -2.210
  342   1HE   LYS  32          2HE       LYS  32  -4.113   4.323  -4.254
  343   2HE   LYS  32          1HE       LYS  32  -4.557   2.606  -4.333
  344   1HZ   LYS  32          1HZ       LYS  32  -6.486   4.861  -4.161
  345   2HZ   LYS  32          3HZ       LYS  32  -6.117   4.011  -5.581
  346   3HZ   LYS  32          2HZ       LYS  32  -6.879   3.213  -4.288
  347    QB   LYS  32           QB       LYS  32  -4.745   4.935  -0.298
  348    QG   LYS  32           QG       LYS  32  -3.207   4.007  -1.991
  349    QD   LYS  32           QD       LYS  32  -5.575   3.382  -2.174
  350    QE   LYS  32           QE       LYS  32  -4.335   3.464  -4.294
  351    QZ   LYS  32           QZ       LYS  32  -6.494   4.028  -4.677
  352    H    GLN  33           H        GLN  33  -2.721   4.981   2.914
  353    HA   GLN  33           HA       GLN  33  -3.655   7.831   3.260
  354   1HB   GLN  33          2HB       GLN  33  -5.038   6.062   4.334
  355   2HB   GLN  33          1HB       GLN  33  -3.602   5.422   5.134
  356   1HG   GLN  33          2HG       GLN  33  -3.513   7.141   6.659
  357   2HG   GLN  33          1HG       GLN  33  -4.187   8.317   5.528
  358   1HE2  GLN  33          2HE2      GLN  33  -7.461   7.913   6.745
  359   2HE2  GLN  33          1HE2      GLN  33  -6.365   8.836   5.837
  360    QB   GLN  33           QB       GLN  33  -4.320   5.742   4.734
  361    QG   GLN  33           QG       GLN  33  -3.850   7.729   6.093
  362    QE2  GLN  33           QE2      GLN  33  -6.913   8.374   6.291
  363    H    TYR  34           H        TYR  34  -1.496   5.299   4.302
  364    HA   TYR  34           HA       TYR  34   0.405   6.637   5.901
  365   1HB   TYR  34          2HB       TYR  34   0.379   4.280   5.741
  366   2HB   TYR  34          1HB       TYR  34   0.214   4.317   3.980
  367    HD1  TYR  34          2HD       TYR  34   2.591   4.882   6.816
  368    HD2  TYR  34          1HD       TYR  34   2.173   4.252   2.587
  369    HE1  TYR  34          2HE       TYR  34   5.044   4.586   6.618
  370    HE2  TYR  34          1HE       TYR  34   4.627   3.955   2.390
  371    HH   TYR  34           HH       TYR  34   6.656   3.575   5.140
  372    QB   TYR  34           QB       TYR  34   0.297   4.298   4.860
  373    QG   TYR  34           QD       TYR  34   2.382   4.567   4.702
  374    QZ   TYR  34           QE       TYR  34   4.835   4.270   4.504
  375    QR   TYR  34           QR       TYR  34   3.608   4.419   4.603
  376    H    ALA  35           H        ALA  35   0.206   6.217   2.368
  377    HA   ALA  35           HA       ALA  35   2.635   7.507   1.573
  378   1HB   ALA  35          2HB       ALA  35  -0.051   6.887   0.377
  379   2HB   ALA  35          1HB       ALA  35   1.049   7.938  -0.517
  380   3HB   ALA  35          3HB       ALA  35   1.541   6.296  -0.097
  381    QB   ALA  35           QB       ALA  35   0.846   7.041  -0.079
  382    H    ASN  36           H        ASN  36  -0.685   8.809   1.924
  383    HA   ASN  36           HA       ASN  36  -0.180  11.496   1.164
  384   1HB   ASN  36          2HB       ASN  36  -2.140  10.044   2.895
  385   2HB   ASN  36          1HB       ASN  36  -2.150  11.807   2.906
  386   1HD2  ASN  36          2HD2      ASN  36  -2.859  10.035  -0.745
  387   2HD2  ASN  36          1HD2      ASN  36  -1.691   9.358   0.284
  388    QB   ASN  36           QB       ASN  36  -2.145  10.925   2.900
  389    QD2  ASN  36           QD2      ASN  36  -2.275   9.697  -0.231
  390    H    ASP  37           H        ASP  37  -0.122  10.047   4.435
  391    HA   ASP  37           HA       ASP  37   0.578  12.352   5.912
  392   1HB   ASP  37          2HB       ASP  37  -0.081   9.964   6.635
  393   2HB   ASP  37          1HB       ASP  37   1.631   9.579   6.464
  394    QB   ASP  37           QB       ASP  37   0.775   9.771   6.550
  395    H    ASN  38           H        ASN  38   2.530  10.446   3.779
  396    HA   ASN  38           HA       ASN  38   5.012  11.714   4.743
  397   1HB   ASN  38          2HB       ASN  38   4.261   9.270   3.195
  398   2HB   ASN  38          1HB       ASN  38   5.875   9.944   2.966
  399   1HD2  ASN  38          2HD2      ASN  38   5.184   7.738   6.220
  400   2HD2  ASN  38          1HD2      ASN  38   4.169   7.761   4.859
  401    QB   ASN  38           QB       ASN  38   5.068   9.607   3.081
  402    QD2  ASN  38           QD2      ASN  38   4.676   7.749   5.540
  403    H    GLY  39           H        GLY  39   2.802  11.634   2.031
  404   1HA   GLY  39          2HA       GLY  39   2.724  13.570   0.509
  405   2HA   GLY  39          1HA       GLY  39   4.477  13.698   0.665
  406    QA   GLY  39           QA       GLY  39   3.600  13.634   0.587
  407    H    ILE  40           H        ILE  40   2.836  10.624   0.267
  408    HA   ILE  40           HA       ILE  40   4.314  10.187  -2.273
  409    HB   ILE  40           HB       ILE  40   3.105   8.596  -0.053
  410   1HG1  ILE  40          2HG1      ILE  40   5.288   7.386  -0.318
  411   2HG1  ILE  40          1HG1      ILE  40   5.695   8.537  -1.593
  412   1HG2  ILE  40          3HG2      ILE  40   2.137   7.580  -2.153
  413   2HG2  ILE  40          2HG2      ILE  40   3.791   7.278  -2.684
  414   3HG2  ILE  40          1HG2      ILE  40   3.176   6.506  -1.220
  415   1HD1  ILE  40          3HD1      ILE  40   4.863   9.364   1.191
  416   2HD1  ILE  40          2HD1      ILE  40   6.553   9.170   0.700
  417   3HD1  ILE  40          1HD1      ILE  40   5.538  10.388  -0.081
  418    QG1  ILE  40           QG1      ILE  40   5.491   7.961  -0.956
  419    QG2  ILE  40           QG2      ILE  40   3.035   7.121  -2.019
  420    QD1  ILE  40           QD1      ILE  40   5.651   9.641   0.604
  421    H    ASP  41           H        ASP  41   3.157  10.977  -3.972
  422    HA   ASP  41           HA       ASP  41   0.373   9.971  -4.364
  423   1HB   ASP  41          2HB       ASP  41   0.434  12.237  -3.220
  424   2HB   ASP  41          1HB       ASP  41   1.167  12.876  -4.692
  425    QB   ASP  41           QB       ASP  41   0.801  12.556  -3.956
  426    H    GLY  42           H        GLY  42   0.938   8.743  -6.180
  427   1HA   GLY  42          2HA       GLY  42   1.458  10.245  -8.650
  428   2HA   GLY  42          1HA       GLY  42   2.721   9.093  -8.215
  429    QA   GLY  42           QA       GLY  42   2.089   9.669  -8.432
  430    H    GLU  43           H        GLU  43   2.401   6.953  -8.735
  431    HA   GLU  43           HA       GLU  43  -0.241   6.234  -9.959
  432   1HB   GLU  43          2HB       GLU  43   2.326   6.066 -10.890
  433   2HB   GLU  43          1HB       GLU  43   2.105   4.446 -10.227
  434   1HG   GLU  43          2HG       GLU  43   1.359   4.320 -12.491
  435   2HG   GLU  43          1HG       GLU  43  -0.106   4.377 -11.512
  436    QB   GLU  43           QB       GLU  43   2.216   5.256 -10.559
  437    QG   GLU  43           QG       GLU  43   0.627   4.349 -12.001
  438    H    TRP  44           H        TRP  44  -0.618   3.701  -9.707
  439    HA   TRP  44           HA       TRP  44   0.184   2.569  -7.073
  440   1HB   TRP  44          2HB       TRP  44  -2.527   3.689  -7.782
  441   2HB   TRP  44          1HB       TRP  44  -2.428   2.274  -6.728
  442    HD1  TRP  44           HD       TRP  44  -1.660   5.996  -6.819
  443    HE1  TRP  44          1HE       TRP  44  -1.038   6.759  -4.435
  444    HE3  TRP  44          3HE       TRP  44  -1.422   1.465  -4.518
  445    HZ2  TRP  44          2HZ       TRP  44  -0.504   5.583  -1.877
  446    HZ3  TRP  44          3HZ       TRP  44  -0.855   1.308  -2.100
  447    HH2  TRP  44           HH       TRP  44  -0.392   3.361  -0.788
  448    QB   TRP  44           QB       TRP  44  -2.478   2.982  -7.255
  449    H    THR  45           H        THR  45   0.352   0.382  -7.345
  450    HA   THR  45           HA       THR  45  -1.433  -0.992  -9.296
  451    HB   THR  45           HB       THR  45   0.377  -1.947 -10.510
  452    HG1  THR  45          1HG       THR  45   2.508  -1.774  -9.802
  453   1HG2  THR  45          3HG2      THR  45  -0.009   0.441 -11.048
  454   2HG2  THR  45          2HG2      THR  45   1.235   0.884  -9.875
  455   3HG2  THR  45          1HG2      THR  45   1.670  -0.034 -11.319
  456    QG2  THR  45           QG2      THR  45   0.965   0.430 -10.747
  457    H    TYR  46           H        TYR  46  -2.098  -2.902  -8.463
  458    HA   TYR  46           HA       TYR  46  -0.847  -3.841  -5.928
  459   1HB   TYR  46          2HB       TYR  46  -3.219  -3.438  -5.848
  460   2HB   TYR  46          1HB       TYR  46  -3.486  -4.355  -7.334
  461    HD1  TYR  46          2HD       TYR  46  -1.715  -4.918  -4.072
  462    HD2  TYR  46          1HD       TYR  46  -4.442  -6.459  -7.009
  463    HE1  TYR  46          2HE       TYR  46  -1.957  -6.997  -2.752
  464    HE2  TYR  46          1HE       TYR  46  -4.677  -8.549  -5.691
  465    HH   TYR  46           HH       TYR  46  -4.241  -8.979  -2.841
  466    QB   TYR  46           QB       TYR  46  -3.352  -3.897  -6.591
  467    QG   TYR  46           QD       TYR  46  -3.078  -5.689  -5.540
  468    QZ   TYR  46           QE       TYR  46  -3.317  -7.773  -4.222
  469    QR   TYR  46           QR       TYR  46  -3.198  -6.731  -4.881
  470    H    ASP  47           H        ASP  47   0.182  -5.833  -5.820
  471    HA   ASP  47           HA       ASP  47   0.424  -7.387  -8.370
  472   1HB   ASP  47          2HB       ASP  47   2.174  -7.199  -5.893
  473   2HB   ASP  47          1HB       ASP  47   2.532  -8.197  -7.300
  474    QB   ASP  47           QB       ASP  47   2.353  -7.698  -6.597
  475    H    ASP  48           H        ASP  48  -1.305  -8.843  -8.190
  476    HA   ASP  48           HA       ASP  48  -2.097 -10.140  -5.734
  477   1HB   ASP  48          2HB       ASP  48  -3.513  -9.737  -7.749
  478   2HB   ASP  48          1HB       ASP  48  -2.558 -10.936  -8.623
  479    QB   ASP  48           QB       ASP  48  -3.036 -10.336  -8.186
  480    H    ALA  49           H        ALA  49   0.658 -10.649  -7.626
  481    HA   ALA  49           HA       ALA  49   0.793 -13.571  -7.243
  482   1HB   ALA  49          3HB       ALA  49   2.496 -11.426  -8.525
  483   2HB   ALA  49          2HB       ALA  49   3.081 -13.081  -8.350
  484   3HB   ALA  49          1HB       ALA  49   1.640 -12.752  -9.312
  485    QB   ALA  49           QB       ALA  49   2.406 -12.420  -8.729
  486    H    THR  50           H        THR  50   2.030 -10.590  -5.835
  487    HA   THR  50           HA       THR  50   3.449 -12.220  -3.755
  488    HB   THR  50           HB       THR  50   5.131 -10.382  -3.746
  489    HG1  THR  50          1HG       THR  50   3.691  -9.471  -6.011
  490   1HG2  THR  50          1HG2      THR  50   5.142 -12.455  -5.335
  491   2HG2  THR  50          3HG2      THR  50   4.808 -11.271  -6.599
  492   3HG2  THR  50          2HG2      THR  50   6.281 -11.142  -5.637
  493    QG2  THR  50           QG2      THR  50   5.410 -11.623  -5.857
  494    H    LYS  51           H        LYS  51   0.787 -10.381  -4.234
  495    HA   LYS  51           HA       LYS  51  -0.558  -9.021  -2.855
  496   1HB   LYS  51          2HB       LYS  51   1.238 -10.330  -0.782
  497   2HB   LYS  51          1HB       LYS  51  -0.296  -9.533  -0.435
  498   1HG   LYS  51          2HG       LYS  51  -0.320 -11.636  -2.546
  499   2HG   LYS  51          1HG       LYS  51  -0.131 -12.178  -0.878
  500   1HD   LYS  51          2HD       LYS  51  -2.137 -10.726  -0.300
  501   2HD   LYS  51          1HD       LYS  51  -2.390 -10.531  -2.035
  502   1HE   LYS  51          2HE       LYS  51  -2.308 -13.131  -2.129
  503   2HE   LYS  51          1HE       LYS  51  -2.592 -13.048  -0.379
  504   1HZ   LYS  51          1HZ       LYS  51  -4.207 -11.541  -2.360
  505   2HZ   LYS  51          3HZ       LYS  51  -4.656 -13.071  -1.781
  506   3HZ   LYS  51          2HZ       LYS  51  -4.534 -11.761  -0.707
  507    QB   LYS  51           QB       LYS  51   0.471  -9.932  -0.609
  508    QG   LYS  51           QG       LYS  51  -0.226 -11.907  -1.712
  509    QD   LYS  51           QD       LYS  51  -2.263 -10.629  -1.167
  510    QE   LYS  51           QE       LYS  51  -2.450 -13.090  -1.254
  511    QZ   LYS  51           QZ       LYS  51  -4.466 -12.125  -1.616
  512    H    THR  52           H        THR  52   1.716  -7.736  -4.033
  513    HA   THR  52           HA       THR  52   2.429  -5.760  -1.878
  514    HB   THR  52           HB       THR  52   4.074  -6.594  -4.285
  515    HG1  THR  52          1HG       THR  52   5.273  -7.754  -2.684
  516   1HG2  THR  52          2HG2      THR  52   4.488  -4.791  -1.922
  517   2HG2  THR  52          1HG2      THR  52   5.873  -5.621  -2.632
  518   3HG2  THR  52          3HG2      THR  52   4.905  -4.523  -3.615
  519    QG2  THR  52           QG2      THR  52   5.089  -4.978  -2.723
  520    H    PHE  53           H        PHE  53   1.933  -3.643  -2.361
  521    HA   PHE  53           HA       PHE  53   0.683  -3.054  -4.973
  522   1HB   PHE  53          2HB       PHE  53   0.993  -1.612  -2.335
  523   2HB   PHE  53          1HB       PHE  53   0.197  -0.875  -3.726
  524    HD1  PHE  53          2HD       PHE  53   0.075  -3.732  -1.347
  525    HD2  PHE  53          1HD       PHE  53  -2.038  -1.503  -4.361
  526    HE1  PHE  53          2HE       PHE  53  -2.025  -4.919  -0.756
  527    HE2  PHE  53          1HE       PHE  53  -4.127  -2.691  -3.765
  528   1HZ   PHE  53           HZ       PHE  53  -4.123  -4.398  -1.967
  529    QB   PHE  53           QB       PHE  53   0.595  -1.243  -3.031
  530    QG   PHE  53           QD       PHE  53  -0.981  -2.618  -2.854
  531    QZ   PHE  53           QE       PHE  53  -3.076  -3.805  -2.260
  532    QZ   PHE  53           QR       PHE  53  -2.448  -3.449  -2.439
  533    H    THR  54           H        THR  54   1.343  -0.422  -5.519
  534    HA   THR  54           HA       THR  54   4.256  -0.025  -5.286
  535    HB   THR  54           HB       THR  54   3.143  -0.122  -8.070
  536    HG1  THR  54          1HG       THR  54   2.552  -2.119  -7.581
  537   1HG2  THR  54          2HG2      THR  54   5.435   0.678  -7.605
  538   2HG2  THR  54          1HG2      THR  54   5.818  -0.879  -6.870
  539   3HG2  THR  54          3HG2      THR  54   5.443  -0.783  -8.591
  540    QG2  THR  54           QG2      THR  54   5.566  -0.328  -7.689
  541    H    VAL  55           H        VAL  55   3.775   1.995  -4.407
  542    HA   VAL  55           HA       VAL  55   1.971   3.756  -5.969
  543    HB   VAL  55           HB       VAL  55   1.359   3.504  -3.670
  544   1HG1  VAL  55          2HG1      VAL  55   4.235   4.229  -3.036
  545   2HG1  VAL  55          1HG1      VAL  55   2.941   4.183  -1.839
  546   3HG1  VAL  55          3HG1      VAL  55   3.399   2.707  -2.687
  547   1HG2  VAL  55          1HG2      VAL  55   1.169   5.788  -4.589
  548   2HG2  VAL  55          3HG2      VAL  55   1.484   5.815  -2.853
  549   3HG2  VAL  55          2HG2      VAL  55   2.785   6.157  -3.993
  550    QG1  VAL  55           QG1      VAL  55   3.525   3.706  -2.521
  551    QG2  VAL  55           QG2      VAL  55   1.813   5.920  -3.811
  552    QQG  VAL  55           QQG      VAL  55   2.669   4.813  -3.166
  553    H    THR  56           H        THR  56   2.994   4.875  -7.481
  554    HA   THR  56           HA       THR  56   5.774   5.807  -7.142
  555    HB   THR  56           HB       THR  56   3.695   5.542  -9.292
  556    HG1  THR  56          1HG       THR  56   5.029   3.995  -9.652
  557   1HG2  THR  56          2HG2      THR  56   6.089   7.389  -9.515
  558   2HG2  THR  56          1HG2      THR  56   5.139   6.817 -10.886
  559   3HG2  THR  56          3HG2      THR  56   4.388   7.841  -9.661
  560    QG2  THR  56           QG2      THR  56   5.205   7.349 -10.021
  561    H    GLU  57           H        GLU  57   6.137   8.221  -7.711
  562    HA   GLU  57           HA       GLU  57   4.075   9.872  -6.300
  563   1HB   GLU  57          2HB       GLU  57   6.801   9.496  -5.902
  564   2HB   GLU  57          1HB       GLU  57   6.739  11.023  -6.783
  565   1HG   GLU  57          2HG       GLU  57   5.036  10.436  -4.348
  566   2HG   GLU  57          1HG       GLU  57   6.597  11.251  -4.267
  567    QB   GLU  57           QB       GLU  57   6.770  10.259  -6.342
  568    QG   GLU  57           QG       GLU  57   5.817  10.843  -4.307
   
  No H/Q in entry =         568
  Start of MODEL   22
    1   1H    MET   1          3HT       MET   1  -0.060 -14.128   6.790
    2   2H    MET   1          2HT       MET   1  -0.997 -13.291   7.933
    3   3H    MET   1          1HT       MET   1  -0.597 -14.921   8.190
    4    HA   MET   1           HA       MET   1  -1.979 -15.628   6.375
    5   1HB   MET   1          2HB       MET   1  -2.789 -14.935   8.761
    6   2HB   MET   1          1HB       MET   1  -3.533 -13.567   7.933
    7   1HG   MET   1          2HG       MET   1  -4.720 -15.141   6.429
    8   2HG   MET   1          1HG       MET   1  -4.005 -16.497   7.300
    9   1HE   MET   1          2HE       MET   1  -7.046 -15.350   6.653
   10   2HE   MET   1          1HE       MET   1  -6.843 -16.987   7.274
   11   3HE   MET   1          3HE       MET   1  -7.954 -15.865   8.072
   12    QB   MET   1           QB       MET   1  -3.161 -14.251   8.347
   13    QG   MET   1           QG       MET   1  -4.362 -15.819   6.864
   14    QE   MET   1           QE       MET   1  -7.281 -16.067   7.333
   15    H    THR   2           H        THR   2  -2.344 -12.091   6.861
   16    HA   THR   2           HA       THR   2  -2.605 -11.777   3.898
   17    HB   THR   2           HB       THR   2  -4.421 -10.590   6.023
   18    HG1  THR   2          1HG       THR   2  -5.951 -12.001   4.943
   19   1HG2  THR   2          1HG2      THR   2  -4.075 -10.178   3.099
   20   2HG2  THR   2          3HG2      THR   2  -5.733 -10.272   3.693
   21   3HG2  THR   2          2HG2      THR   2  -4.634  -9.052   4.336
   22    QG2  THR   2           QG2      THR   2  -4.814  -9.834   3.709
   23    H    THR   3           H        THR   3  -0.238 -11.155   4.954
   24    HA   THR   3           HA       THR   3  -0.186  -8.362   5.934
   25    HB   THR   3           HB       THR   3   2.099 -10.225   5.235
   26    HG1  THR   3          1HG       THR   3   1.840 -11.157   7.157
   27   1HG2  THR   3          2HG2      THR   3   2.210  -7.622   5.912
   28   2HG2  THR   3          1HG2      THR   3   2.144  -8.329   7.527
   29   3HG2  THR   3          3HG2      THR   3   3.437  -8.786   6.416
   30    QG2  THR   3           QG2      THR   3   2.597  -8.246   6.619
   31    H    PHE   4           H        PHE   4  -0.625  -6.947   4.234
   32    HA   PHE   4           HA       PHE   4   0.487  -7.405   1.543
   33   1HB   PHE   4          2HB       PHE   4  -1.228  -5.291   2.870
   34   2HB   PHE   4          1HB       PHE   4  -0.714  -5.169   1.187
   35    HD1  PHE   4          1HD       PHE   4  -1.142  -7.294  -0.298
   36    HD2  PHE   4          2HD       PHE   4  -3.189  -6.448   3.381
   37    HE1  PHE   4          1HE       PHE   4  -2.976  -8.823  -0.967
   38    HE2  PHE   4          2HE       PHE   4  -5.022  -7.970   2.708
   39   1HZ   PHE   4           HZ       PHE   4  -4.917  -9.161   0.537
   40    QB   PHE   4           QB       PHE   4  -0.971  -5.230   2.028
   41    QG   PHE   4           QD       PHE   4  -2.165  -6.871   1.541
   42    QZ   PHE   4           QE       PHE   4  -3.999  -8.396   0.871
   43    QZ   PHE   4           QR       PHE   4  -3.449  -7.939   1.072
   44    H    LYS   5           H        LYS   5   1.995  -5.966   0.537
   45    HA   LYS   5           HA       LYS   5   3.640  -4.347   2.455
   46   1HB   LYS   5          2HB       LYS   5   4.387  -5.802  -0.108
   47   2HB   LYS   5          1HB       LYS   5   5.509  -4.911   0.918
   48   1HG   LYS   5          2HG       LYS   5   5.843  -6.905   1.952
   49   2HG   LYS   5          1HG       LYS   5   4.299  -6.583   2.738
   50   1HD   LYS   5          2HD       LYS   5   3.104  -7.873   1.094
   51   2HD   LYS   5          1HD       LYS   5   4.543  -8.021   0.084
   52   1HE   LYS   5          2HE       LYS   5   4.562  -9.047   2.925
   53   2HE   LYS   5          1HE       LYS   5   3.939 -10.048   1.598
   54   1HZ   LYS   5          1HZ       LYS   5   6.001  -9.575   0.372
   55   2HZ   LYS   5          3HZ       LYS   5   6.607  -8.743   1.720
   56   3HZ   LYS   5          2HZ       LYS   5   6.298 -10.411   1.821
   57    QB   LYS   5           QB       LYS   5   4.948  -5.357   0.405
   58    QG   LYS   5           QG       LYS   5   5.071  -6.744   2.345
   59    QD   LYS   5           QD       LYS   5   3.823  -7.947   0.589
   60    QE   LYS   5           QE       LYS   5   4.251  -9.547   2.262
   61    QZ   LYS   5           QZ       LYS   5   6.302  -9.576   1.304
   62    H    LEU   6           H        LEU   6   5.142  -2.955   0.541
   63    HA   LEU   6           HA       LEU   6   3.447  -1.742  -1.495
   64   1HB   LEU   6          2HB       LEU   6   2.427  -0.837   0.541
   65   2HB   LEU   6          1HB       LEU   6   4.001  -0.282   1.110
   66    HG   LEU   6           HG       LEU   6   4.159   1.166  -0.940
   67   1HD1  LEU   6          1HD1      LEU   6   2.580  -0.137  -2.334
   68   2HD1  LEU   6          3HD1      LEU   6   1.258   0.348  -1.272
   69   3HD1  LEU   6          2HD1      LEU   6   2.105   1.559  -2.234
   70   1HD2  LEU   6          3HD2      LEU   6   3.193   1.876   1.352
   71   2HD2  LEU   6          2HD2      LEU   6   2.818   2.902  -0.035
   72   3HD2  LEU   6          1HD2      LEU   6   1.616   1.768   0.573
   73    QB   LEU   6           QB       LEU   6   3.214  -0.559   0.825
   74    QD1  LEU   6           QD1      LEU   6   1.981   0.590  -1.947
   75    QD2  LEU   6           QD2      LEU   6   2.543   2.182   0.630
   76    QQD  LEU   6           QQD      LEU   6   2.262   1.386  -0.658
   77    H    ILE   7           H        ILE   7   5.086  -1.628  -2.990
   78    HA   ILE   7           HA       ILE   7   7.814  -0.812  -2.220
   79    HB   ILE   7           HB       ILE   7   6.503  -1.482  -4.884
   80   1HG1  ILE   7          2HG1      ILE   7   8.451  -3.291  -3.530
   81   2HG1  ILE   7          1HG1      ILE   7   6.831  -3.203  -2.838
   82   1HG2  ILE   7          1HG2      ILE   7   9.247  -0.664  -4.087
   83   2HG2  ILE   7          3HG2      ILE   7   9.140  -2.022  -5.208
   84   3HG2  ILE   7          2HG2      ILE   7   8.419  -0.471  -5.632
   85   1HD1  ILE   7          3HD1      ILE   7   7.204  -3.576  -5.802
   86   2HD1  ILE   7          2HD1      ILE   7   7.278  -4.957  -4.708
   87   3HD1  ILE   7          1HD1      ILE   7   5.810  -3.986  -4.803
   88    QG1  ILE   7           QG1      ILE   7   7.641  -3.247  -3.184
   89    QG2  ILE   7           QG2      ILE   7   8.935  -1.053  -4.976
   90    QD1  ILE   7           QD1      ILE   7   6.764  -4.173  -5.104
   91    H    ILE   8           H        ILE   8   7.902   1.382  -1.785
   92    HA   ILE   8           HA       ILE   8   6.237   3.304  -3.189
   93    HB   ILE   8           HB       ILE   8   8.680   3.761  -1.458
   94   1HG1  ILE   8          2HG1      ILE   8   6.651   2.281  -0.523
   95   2HG1  ILE   8          1HG1      ILE   8   7.430   3.482   0.486
   96   1HG2  ILE   8          3HG2      ILE   8   6.410   5.458  -2.451
   97   2HG2  ILE   8          2HG2      ILE   8   7.225   5.873  -0.937
   98   3HG2  ILE   8          1HG2      ILE   8   8.144   5.804  -2.441
   99   1HD1  ILE   8          2HD1      ILE   8   5.151   4.475  -1.130
  100   2HD1  ILE   8          1HD1      ILE   8   4.744   3.325   0.140
  101   3HD1  ILE   8          3HD1      ILE   8   5.584   4.824   0.542
  102    QG1  ILE   8           QG1      ILE   8   7.041   2.881  -0.019
  103    QG2  ILE   8           QG2      ILE   8   7.259   5.712  -1.943
  104    QD1  ILE   8           QD1      ILE   8   5.160   4.208  -0.150
  105    H    ASN   9           H        ASN   9   6.757   3.358  -5.408
  106    HA   ASN   9           HA       ASN   9   9.564   3.507  -6.294
  107   1HB   ASN   9          2HB       ASN   9   7.817   2.249  -7.516
  108   2HB   ASN   9          1HB       ASN   9   6.908   3.741  -7.751
  109   1HD2  ASN   9          2HD2      ASN   9   8.895   4.819 -10.476
  110   2HD2  ASN   9          1HD2      ASN   9   7.591   5.166  -9.447
  111    QB   ASN   9           QB       ASN   9   7.363   2.995  -7.634
  112    QD2  ASN   9           QD2      ASN   9   8.243   4.993  -9.962
  113    H    GLY  10           H        GLY  10   9.550   5.612  -4.764
  114   1HA   GLY  10          2HA       GLY  10   9.220   7.932  -6.606
  115   2HA   GLY  10          1HA       GLY  10   8.554   8.033  -4.975
  116    QA   GLY  10           QA       GLY  10   8.887   7.982  -5.790
  117    H    LYS  11           H        LYS  11   9.880   9.322  -3.794
  118    HA   LYS  11           HA       LYS  11  12.736   8.585  -3.551
  119   1HB   LYS  11          2HB       LYS  11  13.434  10.909  -4.104
  120   2HB   LYS  11          1HB       LYS  11  12.645  10.117  -5.467
  121   1HG   LYS  11          2HG       LYS  11  10.496  11.257  -4.214
  122   2HG   LYS  11          1HG       LYS  11  11.757  12.437  -3.860
  123   1HD   LYS  11          2HD       LYS  11  12.342  12.416  -6.321
  124   2HD   LYS  11          1HD       LYS  11  10.899  11.437  -6.589
  125   1HE   LYS  11          2HE       LYS  11   9.795  13.424  -6.791
  126   2HE   LYS  11          1HE       LYS  11   9.958  13.554  -5.028
  127   1HZ   LYS  11          1HZ       LYS  11  12.021  14.423  -6.984
  128   2HZ   LYS  11          3HZ       LYS  11  10.932  15.470  -6.211
  129   3HZ   LYS  11          2HZ       LYS  11  12.083  14.615  -5.297
  130    QB   LYS  11           QB       LYS  11  13.039  10.513  -4.786
  131    QG   LYS  11           QG       LYS  11  11.127  11.847  -4.037
  132    QD   LYS  11           QD       LYS  11  11.621  11.927  -6.455
  133    QE   LYS  11           QE       LYS  11   9.877  13.489  -5.910
  134    QZ   LYS  11           QZ       LYS  11  11.679  14.836  -6.164
  135    H    THR  12           H        THR  12  10.169   8.844  -1.860
  136    HA   THR  12           HA       THR  12  11.430  10.411   0.353
  137    HB   THR  12           HB       THR  12   8.465  10.499   0.040
  138    HG1  THR  12          1HG       THR  12   8.492  11.632  -1.727
  139   1HG2  THR  12          1HG2      THR  12  10.687  12.200   1.090
  140   2HG2  THR  12          3HG2      THR  12   9.194  12.993   0.589
  141   3HG2  THR  12          2HG2      THR  12   9.158  11.759   1.850
  142    QG2  THR  12           QG2      THR  12   9.680  12.317   1.176
  143    H    LEU  13           H        LEU  13  10.573   7.412  -0.530
  144    HA   LEU  13           HA       LEU  13  10.289   6.439   2.183
  145   1HB   LEU  13          2HB       LEU  13   7.948   7.325   0.774
  146   2HB   LEU  13          1HB       LEU  13   7.848   5.573   0.948
  147    HG   LEU  13           HG       LEU  13   8.325   7.566   3.186
  148   1HD1  LEU  13          3HD1      LEU  13   5.937   6.169   2.069
  149   2HD1  LEU  13          2HD1      LEU  13   6.053   6.246   3.829
  150   3HD1  LEU  13          1HD1      LEU  13   6.049   7.733   2.880
  151   1HD2  LEU  13          1HD2      LEU  13   8.190   4.537   3.115
  152   2HD2  LEU  13          3HD2      LEU  13   9.477   5.548   3.772
  153   3HD2  LEU  13          2HD2      LEU  13   7.921   5.454   4.597
  154    QB   LEU  13           QB       LEU  13   7.898   6.449   0.861
  155    QD1  LEU  13           QD1      LEU  13   6.013   6.716   2.926
  156    QD2  LEU  13           QD2      LEU  13   8.530   5.180   3.828
  157    QQD  LEU  13           QQD      LEU  13   7.271   5.948   3.377
  158    H    LYS  14           H        LYS  14  11.825   5.893  -0.331
  159    HA   LYS  14           HA       LYS  14  11.046   3.600  -1.737
  160   1HB   LYS  14          2HB       LYS  14  13.578   4.931  -0.942
  161   2HB   LYS  14          1HB       LYS  14  13.728   3.271  -1.521
  162   1HG   LYS  14          2HG       LYS  14  12.040   4.226  -3.393
  163   2HG   LYS  14          1HG       LYS  14  12.886   5.720  -2.988
  164   1HD   LYS  14          2HD       LYS  14  15.048   4.284  -3.220
  165   2HD   LYS  14          1HD       LYS  14  14.014   3.159  -4.102
  166   1HE   LYS  14          2HE       LYS  14  13.302   5.124  -5.560
  167   2HE   LYS  14          1HE       LYS  14  14.611   6.050  -4.800
  168   1HZ   LYS  14          1HZ       LYS  14  16.108   4.160  -5.365
  169   2HZ   LYS  14          3HZ       LYS  14  14.851   3.490  -6.286
  170   3HZ   LYS  14          2HZ       LYS  14  15.512   4.995  -6.719
  171    QB   LYS  14           QB       LYS  14  13.653   4.101  -1.232
  172    QG   LYS  14           QG       LYS  14  12.463   4.973  -3.190
  173    QD   LYS  14           QD       LYS  14  14.531   3.721  -3.661
  174    QE   LYS  14           QE       LYS  14  13.956   5.587  -5.180
  175    QZ   LYS  14           QZ       LYS  14  15.490   4.215  -6.123
  176    H    GLY  15           H        GLY  15  10.131   1.861  -0.623
  177   1HA   GLY  15          2HA       GLY  15  11.810   0.010   0.749
  178   2HA   GLY  15          1HA       GLY  15  10.911   0.932   1.953
  179    QA   GLY  15           QA       GLY  15  11.361   0.471   1.351
  180    H    GLU  16           H        GLU  16  10.223  -1.541   2.155
  181    HA   GLU  16           HA       GLU  16   7.620  -1.811   0.695
  182   1HB   GLU  16          2HB       GLU  16  10.003  -3.594   0.822
  183   2HB   GLU  16          1HB       GLU  16   8.428  -4.383   0.923
  184   1HG   GLU  16          2HG       GLU  16   7.824  -3.765  -1.215
  185   2HG   GLU  16          1HG       GLU  16   8.802  -2.297  -1.181
  186    QB   GLU  16           QB       GLU  16   9.216  -3.989   0.872
  187    QG   GLU  16           QG       GLU  16   8.313  -3.031  -1.198
  188    H    ILE  17           H        ILE  17   7.274  -0.786   3.062
  189    HA   ILE  17           HA       ILE  17   7.469  -2.452   5.387
  190    HB   ILE  17           HB       ILE  17   5.541  -0.218   4.648
  191   1HG1  ILE  17          2HG1      ILE  17   8.126  -0.134   6.235
  192   2HG1  ILE  17          1HG1      ILE  17   8.001   0.316   4.535
  193   1HG2  ILE  17          3HG2      ILE  17   4.778  -1.557   6.598
  194   2HG2  ILE  17          2HG2      ILE  17   6.338  -1.289   7.375
  195   3HG2  ILE  17          1HG2      ILE  17   5.260   0.072   7.072
  196   1HD1  ILE  17          3HD1      ILE  17   5.976   1.800   5.549
  197   2HD1  ILE  17          2HD1      ILE  17   7.049   1.760   6.948
  198   3HD1  ILE  17          1HD1      ILE  17   7.628   2.398   5.410
  199    QG1  ILE  17           QG1      ILE  17   8.064   0.091   5.385
  200    QG2  ILE  17           QG2      ILE  17   5.459  -0.924   7.015
  201    QD1  ILE  17           QD1      ILE  17   6.885   1.986   5.969
  202    H    THR  18           H        THR  18   6.133  -4.089   6.123
  203    HA   THR  18           HA       THR  18   3.867  -4.904   4.354
  204    HB   THR  18           HB       THR  18   4.214  -7.099   5.428
  205    HG1  THR  18          1HG       THR  18   4.870  -6.782   7.423
  206   1HG2  THR  18          3HG2      THR  18   6.063  -5.764   3.768
  207   2HG2  THR  18          2HG2      THR  18   7.029  -6.596   4.986
  208   3HG2  THR  18          1HG2      THR  18   5.895  -7.506   3.989
  209    QG2  THR  18           QG2      THR  18   6.329  -6.622   4.248
  210    H    ILE  19           H        ILE  19   1.777  -4.936   5.151
  211    HA   ILE  19           HA       ILE  19   1.371  -4.542   8.090
  212    HB   ILE  19           HB       ILE  19  -0.288  -2.785   7.568
  213   1HG1  ILE  19          2HG1      ILE  19   0.110  -1.950   5.017
  214   2HG1  ILE  19          1HG1      ILE  19   0.290  -3.691   4.795
  215   1HG2  ILE  19          2HG2      ILE  19   2.072  -2.156   7.961
  216   2HG2  ILE  19          1HG2      ILE  19   2.393  -2.302   6.233
  217   3HG2  ILE  19          3HG2      ILE  19   1.293  -1.056   6.824
  218   1HD1  ILE  19          3HD1      ILE  19  -1.903  -3.715   6.335
  219   2HD1  ILE  19          2HD1      ILE  19  -2.111  -2.119   5.613
  220   3HD1  ILE  19          1HD1      ILE  19  -1.999  -3.547   4.583
  221    QG1  ILE  19           QG1      ILE  19   0.200  -2.821   4.906
  222    QG2  ILE  19           QG2      ILE  19   1.919  -1.838   7.006
  223    QD1  ILE  19           QD1      ILE  19  -2.004  -3.127   5.510
  224    H    GLU  20           H        GLU  20  -0.317  -5.751   8.900
  225    HA   GLU  20           HA       GLU  20  -1.611  -7.722   7.172
  226   1HB   GLU  20          2HB       GLU  20  -1.395  -7.034  10.059
  227   2HB   GLU  20          1HB       GLU  20  -2.833  -7.938   9.582
  228   1HG   GLU  20          2HG       GLU  20  -0.224  -8.873   8.486
  229   2HG   GLU  20          1HG       GLU  20  -0.523  -9.160  10.201
  230    QB   GLU  20           QB       GLU  20  -2.114  -7.486   9.820
  231    QG   GLU  20           QG       GLU  20  -0.374  -9.017   9.344
  232    H    ALA  21           H        ALA  21  -3.902  -7.870   6.792
  233    HA   ALA  21           HA       ALA  21  -5.731  -5.765   7.671
  234   1HB   ALA  21          2HB       ALA  21  -4.086  -5.001   5.701
  235   2HB   ALA  21          1HB       ALA  21  -5.293  -5.825   4.713
  236   3HB   ALA  21          3HB       ALA  21  -5.769  -4.477   5.747
  237    QB   ALA  21           QB       ALA  21  -5.049  -5.101   5.387
  238    H    VAL  22           H        VAL  22  -7.926  -6.159   6.849
  239    HA   VAL  22           HA       VAL  22  -8.750  -8.843   6.788
  240    HB   VAL  22           HB       VAL  22 -10.174  -6.892   7.277
  241   1HG1  VAL  22          2HG1      VAL  22  -9.090  -5.530   5.362
  242   2HG1  VAL  22          1HG1      VAL  22 -10.262  -6.325   4.313
  243   3HG1  VAL  22          3HG1      VAL  22 -10.818  -5.306   5.641
  244   1HG2  VAL  22          1HG2      VAL  22 -11.041  -8.632   4.955
  245   2HG2  VAL  22          3HG2      VAL  22 -11.383  -8.874   6.669
  246   3HG2  VAL  22          2HG2      VAL  22 -12.142  -7.542   5.798
  247    QG1  VAL  22           QG1      VAL  22 -10.056  -5.720   5.105
  248    QG2  VAL  22           QG2      VAL  22 -11.522  -8.349   5.807
  249    QQG  VAL  22           QQG      VAL  22 -10.789  -7.035   5.456
  250    H    ASP  23           H        ASP  23  -8.031  -6.663   4.074
  251    HA   ASP  23           HA       ASP  23  -7.519  -8.954   2.294
  252   1HB   ASP  23          2HB       ASP  23  -9.914  -7.136   2.143
  253   2HB   ASP  23          1HB       ASP  23  -9.230  -7.788   0.654
  254    QB   ASP  23           QB       ASP  23  -9.572  -7.462   1.399
  255    H    ALA  24           H        ALA  24  -6.877  -7.980   0.030
  256    HA   ALA  24           HA       ALA  24  -4.810  -6.042   0.416
  257   1HB   ALA  24          1HB       ALA  24  -5.476  -7.843  -1.494
  258   2HB   ALA  24          3HB       ALA  24  -6.027  -6.362  -2.281
  259   3HB   ALA  24          2HB       ALA  24  -4.341  -6.521  -1.781
  260    QB   ALA  24           QB       ALA  24  -5.281  -6.909  -1.852
  261    H    ALA  25           H        ALA  25  -8.206  -5.749  -0.466
  262    HA   ALA  25           HA       ALA  25  -8.281  -3.126  -1.516
  263   1HB   ALA  25          3HB       ALA  25 -10.104  -5.042  -0.181
  264   2HB   ALA  25          2HB       ALA  25 -10.615  -3.355  -0.114
  265   3HB   ALA  25          1HB       ALA  25 -10.336  -4.130  -1.673
  266    QB   ALA  25           QB       ALA  25 -10.351  -4.176  -0.656
  267    H    GLU  26           H        GLU  26  -8.466  -4.264   1.855
  268    HA   GLU  26           HA       GLU  26  -8.670  -1.626   3.043
  269   1HB   GLU  26          2HB       GLU  26  -8.952  -4.261   3.834
  270   2HB   GLU  26          1HB       GLU  26  -7.433  -3.808   4.609
  271   1HG   GLU  26          2HG       GLU  26  -9.069  -3.200   6.198
  272   2HG   GLU  26          1HG       GLU  26  -8.696  -1.681   5.382
  273    QB   GLU  26           QB       GLU  26  -8.192  -4.035   4.221
  274    QG   GLU  26           QG       GLU  26  -8.882  -2.441   5.790
  275    H    ALA  27           H        ALA  27  -5.995  -3.912   2.471
  276    HA   ALA  27           HA       ALA  27  -3.868  -2.443   3.658
  277   1HB   ALA  27          3HB       ALA  27  -4.254  -4.563   1.635
  278   2HB   ALA  27          2HB       ALA  27  -2.746  -3.663   1.460
  279   3HB   ALA  27          1HB       ALA  27  -3.110  -4.491   2.976
  280    QB   ALA  27           QB       ALA  27  -3.370  -4.239   2.024
  281    H    GLU  28           H        GLU  28  -5.275  -2.248   0.387
  282    HA   GLU  28           HA       GLU  28  -3.459  -0.349  -0.730
  283   1HB   GLU  28          2HB       GLU  28  -5.344  -1.783  -1.791
  284   2HB   GLU  28          1HB       GLU  28  -6.424  -0.474  -1.309
  285   1HG   GLU  28          2HG       GLU  28  -4.682   1.071  -2.480
  286   2HG   GLU  28          1HG       GLU  28  -4.143  -0.406  -3.279
  287    QB   GLU  28           QB       GLU  28  -5.884  -1.129  -1.550
  288    QG   GLU  28           QG       GLU  28  -4.412   0.333  -2.880
  289    H    LYS  29           H        LYS  29  -6.423   0.062   1.215
  290    HA   LYS  29           HA       LYS  29  -6.492   2.955   1.053
  291   1HB   LYS  29          2HB       LYS  29  -7.623   0.865   2.928
  292   2HB   LYS  29          1HB       LYS  29  -7.957   2.585   3.129
  293   1HG   LYS  29          2HG       LYS  29  -8.462   2.220   0.445
  294   2HG   LYS  29          1HG       LYS  29  -9.008   0.691   1.130
  295   1HD   LYS  29          2HD       LYS  29 -10.890   2.187   1.179
  296   2HD   LYS  29          1HD       LYS  29 -10.311   2.041   2.838
  297   1HE   LYS  29          2HE       LYS  29 -10.455   4.355   2.699
  298   2HE   LYS  29          1HE       LYS  29  -8.810   4.146   2.067
  299   1HZ   LYS  29          1HZ       LYS  29  -9.853   3.860  -0.170
  300   2HZ   LYS  29          3HZ       LYS  29 -11.327   4.358   0.506
  301   3HZ   LYS  29          2HZ       LYS  29 -10.004   5.423   0.477
  302    QB   LYS  29           QB       LYS  29  -7.790   1.725   3.029
  303    QG   LYS  29           QG       LYS  29  -8.735   1.455   0.788
  304    QD   LYS  29           QD       LYS  29 -10.601   2.114   2.008
  305    QE   LYS  29           QE       LYS  29  -9.633   4.250   2.383
  306    QZ   LYS  29           QZ       LYS  29 -10.395   4.547   0.271
  307    H    ILE  30           H        ILE  30  -5.300   0.673   3.538
  308    HA   ILE  30           HA       ILE  30  -4.232   2.594   5.364
  309    HB   ILE  30           HB       ILE  30  -3.360  -0.238   4.663
  310   1HG1  ILE  30          2HG1      ILE  30  -5.162   0.732   6.901
  311   2HG1  ILE  30          1HG1      ILE  30  -5.766   0.098   5.370
  312   1HG2  ILE  30          3HG2      ILE  30  -2.465   1.703   6.719
  313   2HG2  ILE  30          2HG2      ILE  30  -2.798   0.075   7.310
  314   3HG2  ILE  30          1HG2      ILE  30  -1.613   0.323   6.027
  315   1HD1  ILE  30          1HD1      ILE  30  -4.048  -1.879   5.994
  316   2HD1  ILE  30          3HD1      ILE  30  -4.447  -1.330   7.623
  317   3HD1  ILE  30          2HD1      ILE  30  -5.726  -1.877   6.540
  318    QG1  ILE  30           QG1      ILE  30  -5.464   0.415   6.135
  319    QG2  ILE  30           QG2      ILE  30  -2.292   0.700   6.685
  320    QD1  ILE  30           QD1      ILE  30  -4.740  -1.695   6.719
  321    H    PHE  31           H        PHE  31  -2.896   1.052   2.474
  322    HA   PHE  31           HA       PHE  31  -0.234   2.220   2.752
  323   1HB   PHE  31          2HB       PHE  31  -1.805   0.645   0.729
  324   2HB   PHE  31          1HB       PHE  31  -0.298   1.407   0.226
  325    HD1  PHE  31          2HD       PHE  31   1.475   1.179   2.481
  326    HD2  PHE  31          1HD       PHE  31  -1.456  -1.621   1.067
  327    HE1  PHE  31          2HE       PHE  31   2.752  -0.678   3.521
  328    HE2  PHE  31          1HE       PHE  31  -0.180  -3.479   2.106
  329   1HZ   PHE  31           HZ       PHE  31   1.923  -3.006   3.332
  330    QB   PHE  31           QB       PHE  31  -1.052   1.026   0.477
  331    QG   PHE  31           QD       PHE  31   0.010  -0.221   1.774
  332    QZ   PHE  31           QE       PHE  31   1.286  -2.078   2.813
  333    QZ   PHE  31           QR       PHE  31   0.903  -1.521   2.501
  334    H    LYS  32           H        LYS  32  -3.190   2.972   0.926
  335    HA   LYS  32           HA       LYS  32  -2.024   5.197  -0.502
  336   1HB   LYS  32          2HB       LYS  32  -4.780   4.075  -0.089
  337   2HB   LYS  32          1HB       LYS  32  -4.543   5.590  -0.956
  338   1HG   LYS  32          2HG       LYS  32  -2.948   4.444  -2.482
  339   2HG   LYS  32          1HG       LYS  32  -3.287   2.921  -1.659
  340   1HD   LYS  32          2HD       LYS  32  -4.800   2.793  -3.419
  341   2HD   LYS  32          1HD       LYS  32  -5.802   3.571  -2.193
  342   1HE   LYS  32          2HE       LYS  32  -4.891   5.805  -3.196
  343   2HE   LYS  32          1HE       LYS  32  -4.471   4.805  -4.601
  344   1HZ   LYS  32          1HZ       LYS  32  -7.140   4.712  -3.309
  345   2HZ   LYS  32          3HZ       LYS  32  -6.792   5.755  -4.602
  346   3HZ   LYS  32          2HZ       LYS  32  -6.685   4.073  -4.818
  347    QB   LYS  32           QB       LYS  32  -4.662   4.833  -0.522
  348    QG   LYS  32           QG       LYS  32  -3.117   3.682  -2.070
  349    QD   LYS  32           QD       LYS  32  -5.301   3.182  -2.806
  350    QE   LYS  32           QE       LYS  32  -4.681   5.305  -3.898
  351    QZ   LYS  32           QZ       LYS  32  -6.872   4.847  -4.243
  352    H    GLN  33           H        GLN  33  -2.735   4.912   2.741
  353    HA   GLN  33           HA       GLN  33  -3.569   7.799   2.982
  354   1HB   GLN  33          2HB       GLN  33  -3.857   5.320   4.694
  355   2HB   GLN  33          1HB       GLN  33  -3.982   6.925   5.413
  356   1HG   GLN  33          2HG       GLN  33  -5.600   7.045   3.116
  357   2HG   GLN  33          1HG       GLN  33  -5.940   5.467   3.827
  358   1HE2  GLN  33          2HE2      GLN  33  -6.987   8.866   5.871
  359   2HE2  GLN  33          1HE2      GLN  33  -5.908   8.969   4.565
  360    QB   GLN  33           QB       GLN  33  -3.920   6.123   5.054
  361    QG   GLN  33           QG       GLN  33  -5.770   6.256   3.471
  362    QE2  GLN  33           QE2      GLN  33  -6.447   8.917   5.218
  363    H    TYR  34           H        TYR  34  -1.536   5.217   4.140
  364    HA   TYR  34           HA       TYR  34   0.360   6.509   5.774
  365   1HB   TYR  34          2HB       TYR  34   0.317   4.161   5.664
  366   2HB   TYR  34          1HB       TYR  34   0.119   4.158   3.906
  367    HD1  TYR  34          2HD       TYR  34   2.634   5.191   6.529
  368    HD2  TYR  34          1HD       TYR  34   1.973   3.531   2.623
  369    HE1  TYR  34          2HE       TYR  34   5.073   4.816   6.275
  370    HE2  TYR  34          1HE       TYR  34   4.411   3.155   2.370
  371    HH   TYR  34           HH       TYR  34   6.380   2.882   3.773
  372    QB   TYR  34           QB       TYR  34   0.218   4.160   4.785
  373    QG   TYR  34           QD       TYR  34   2.304   4.361   4.576
  374    QZ   TYR  34           QE       TYR  34   4.742   3.985   4.322
  375    QR   TYR  34           QR       TYR  34   3.523   4.173   4.449
  376    H    ALA  35           H        ALA  35   0.323   6.015   2.229
  377    HA   ALA  35           HA       ALA  35   2.807   7.350   1.627
  378   1HB   ALA  35          1HB       ALA  35   0.302   6.560   0.144
  379   2HB   ALA  35          3HB       ALA  35   1.531   7.536  -0.665
  380   3HB   ALA  35          2HB       ALA  35   1.944   5.936  -0.040
  381    QB   ALA  35           QB       ALA  35   1.259   6.677  -0.187
  382    H    ASN  36           H        ASN  36  -0.569   8.463   1.162
  383    HA   ASN  36           HA       ASN  36   0.007  11.159   0.485
  384   1HB   ASN  36          2HB       ASN  36  -2.321   9.720   1.747
  385   2HB   ASN  36          1HB       ASN  36  -2.392  11.452   1.415
  386   1HD2  ASN  36          2HD2      ASN  36  -2.466   8.799  -1.704
  387   2HD2  ASN  36          1HD2      ASN  36  -2.059   8.262  -0.147
  388    QB   ASN  36           QB       ASN  36  -2.357  10.586   1.581
  389    QD2  ASN  36           QD2      ASN  36  -2.263   8.531  -0.925
  390    H    ASP  37           H        ASP  37  -0.748   9.753   3.688
  391    HA   ASP  37           HA       ASP  37  -0.701  12.095   5.250
  392   1HB   ASP  37          2HB       ASP  37  -1.341   9.785   5.957
  393   2HB   ASP  37          1HB       ASP  37   0.368   9.351   5.963
  394    QB   ASP  37           QB       ASP  37  -0.486   9.568   5.960
  395    H    ASN  38           H        ASN  38   1.950  10.424   3.770
  396    HA   ASN  38           HA       ASN  38   3.917  12.037   5.267
  397   1HB   ASN  38          2HB       ASN  38   4.168   9.588   5.267
  398   2HB   ASN  38          1HB       ASN  38   4.195   9.589   3.506
  399   1HD2  ASN  38          2HD2      ASN  38   7.641  10.097   5.417
  400   2HD2  ASN  38          1HD2      ASN  38   6.247   9.417   6.107
  401    QB   ASN  38           QB       ASN  38   4.181   9.589   4.386
  402    QD2  ASN  38           QD2      ASN  38   6.944   9.757   5.762
  403    H    GLY  39           H        GLY  39   2.648  11.384   2.047
  404   1HA   GLY  39          2HA       GLY  39   2.716  13.330   0.467
  405   2HA   GLY  39          1HA       GLY  39   4.380  13.585   0.989
  406    QA   GLY  39           QA       GLY  39   3.548  13.458   0.728
  407    H    ILE  40           H        ILE  40   3.002  10.391   0.351
  408    HA   ILE  40           HA       ILE  40   4.996  10.065  -1.845
  409    HB   ILE  40           HB       ILE  40   3.642   8.311   0.178
  410   1HG1  ILE  40          2HG1      ILE  40   6.024   7.494   0.378
  411   2HG1  ILE  40          1HG1      ILE  40   6.465   8.754  -0.778
  412   1HG2  ILE  40          2HG2      ILE  40   4.204   7.458  -2.552
  413   2HG2  ILE  40          1HG2      ILE  40   5.134   6.534  -1.376
  414   3HG2  ILE  40          3HG2      ILE  40   3.380   6.597  -1.252
  415   1HD1  ILE  40          1HD1      ILE  40   4.840   9.429   1.652
  416   2HD1  ILE  40          3HD1      ILE  40   6.597   9.289   1.771
  417   3HD1  ILE  40          2HD1      ILE  40   5.876  10.479   0.682
  418    QG1  ILE  40           QG1      ILE  40   6.244   8.124  -0.200
  419    QG2  ILE  40           QG2      ILE  40   4.240   6.863  -1.726
  420    QD1  ILE  40           QD1      ILE  40   5.771   9.732   1.368
  421    H    ASP  41           H        ASP  41   3.458  11.376  -3.154
  422    HA   ASP  41           HA       ASP  41   0.862  10.270  -3.930
  423   1HB   ASP  41          2HB       ASP  41   2.706  12.414  -5.037
  424   2HB   ASP  41          1HB       ASP  41   1.096  12.095  -5.681
  425    QB   ASP  41           QB       ASP  41   1.901  12.255  -5.359
  426    H    GLY  42           H        GLY  42   0.942  10.412  -6.715
  427   1HA   GLY  42          2HA       GLY  42   2.343   9.528  -8.585
  428   2HA   GLY  42          1HA       GLY  42   2.956   8.360  -7.428
  429    QA   GLY  42           QA       GLY  42   2.650   8.944  -8.006
  430    H    GLU  43           H        GLU  43   2.220   7.013  -9.435
  431    HA   GLU  43           HA       GLU  43  -0.639   6.481  -9.702
  432   1HB   GLU  43          2HB       GLU  43   1.510   6.081 -11.243
  433   2HB   GLU  43          1HB       GLU  43   1.489   4.507 -10.444
  434   1HG   GLU  43          2HG       GLU  43  -0.520   3.891 -11.400
  435   2HG   GLU  43          1HG       GLU  43  -1.095   5.554 -11.518
  436    QB   GLU  43           QB       GLU  43   1.499   5.294 -10.843
  437    QG   GLU  43           QG       GLU  43  -0.807   4.723 -11.459
  438    H    TRP  44           H        TRP  44  -1.177   3.920  -9.446
  439    HA   TRP  44           HA       TRP  44  -0.045   2.764  -6.942
  440   1HB   TRP  44          2HB       TRP  44  -2.730   4.052  -7.290
  441   2HB   TRP  44          1HB       TRP  44  -2.645   2.581  -6.310
  442    HD1  TRP  44           HD       TRP  44  -1.482   6.214  -6.365
  443    HE1  TRP  44          1HE       TRP  44  -0.515   6.792  -4.042
  444    HE3  TRP  44          3HE       TRP  44  -1.530   1.591  -4.254
  445    HZ2  TRP  44          2HZ       TRP  44   0.156   5.445  -1.599
  446    HZ3  TRP  44          3HZ       TRP  44  -0.723   1.251  -1.928
  447    HH2  TRP  44           HH       TRP  44   0.122   3.170  -0.605
  448    QB   TRP  44           QB       TRP  44  -2.687   3.317  -6.800
  449    H    THR  45           H        THR  45   0.086   0.600  -7.240
  450    HA   THR  45           HA       THR  45  -1.935  -0.775  -8.958
  451    HB   THR  45           HB       THR  45  -0.253  -1.742 -10.341
  452    HG1  THR  45          1HG       THR  45   1.268  -2.342  -8.894
  453   1HG2  THR  45          1HG2      THR  45  -0.632   0.687 -10.781
  454   2HG2  THR  45          3HG2      THR  45   0.767   1.046  -9.766
  455   3HG2  THR  45          2HG2      THR  45   0.973   0.138 -11.267
  456    QG2  THR  45           QG2      THR  45   0.370   0.624 -10.605
  457    H    TYR  46           H        TYR  46  -2.459  -2.776  -8.144
  458    HA   TYR  46           HA       TYR  46  -1.083  -3.641  -5.649
  459   1HB   TYR  46          2HB       TYR  46  -3.468  -3.390  -5.496
  460   2HB   TYR  46          1HB       TYR  46  -3.723  -4.292  -6.993
  461    HD1  TYR  46          2HD       TYR  46  -1.783  -4.847  -3.826
  462    HD2  TYR  46          1HD       TYR  46  -4.614  -6.420  -6.643
  463    HE1  TYR  46          2HE       TYR  46  -1.881  -6.961  -2.542
  464    HE2  TYR  46          1HE       TYR  46  -4.707  -8.543  -5.363
  465    HH   TYR  46           HH       TYR  46  -4.229  -9.142  -2.764
  466    QB   TYR  46           QB       TYR  46  -3.596  -3.841  -6.245
  467    QG   TYR  46           QD       TYR  46  -3.199  -5.634  -5.234
  468    QZ   TYR  46           QE       TYR  46  -3.294  -7.752  -3.952
  469    QR   TYR  46           QR       TYR  46  -3.246  -6.693  -4.593
  470    H    ASP  47           H        ASP  47  -0.179  -5.736  -5.475
  471    HA   ASP  47           HA       ASP  47   0.199  -7.205  -8.065
  472   1HB   ASP  47          2HB       ASP  47   1.980  -7.010  -5.611
  473   2HB   ASP  47          1HB       ASP  47   2.367  -7.888  -7.088
  474    QB   ASP  47           QB       ASP  47   2.174  -7.449  -6.349
  475    H    ASP  48           H        ASP  48  -1.429  -8.763  -7.880
  476    HA   ASP  48           HA       ASP  48  -2.117 -10.103  -5.409
  477   1HB   ASP  48          2HB       ASP  48  -3.566  -9.751  -7.433
  478   2HB   ASP  48          1HB       ASP  48  -2.591 -10.954  -8.279
  479    QB   ASP  48           QB       ASP  48  -3.079 -10.353  -7.856
  480    H    ALA  49           H        ALA  49   0.625 -10.444  -7.348
  481    HA   ALA  49           HA       ALA  49   0.936 -13.355  -6.964
  482   1HB   ALA  49          3HB       ALA  49   2.601 -11.158  -8.236
  483   2HB   ALA  49          2HB       ALA  49   3.073 -12.858  -8.220
  484   3HB   ALA  49          1HB       ALA  49   1.614 -12.357  -9.074
  485    QB   ALA  49           QB       ALA  49   2.429 -12.124  -8.510
  486    H    THR  50           H        THR  50   1.999 -10.298  -5.589
  487    HA   THR  50           HA       THR  50   3.623 -11.816  -3.577
  488    HB   THR  50           HB       THR  50   5.127  -9.827  -3.604
  489    HG1  THR  50          1HG       THR  50   4.781  -8.356  -5.359
  490   1HG2  THR  50          2HG2      THR  50   5.264 -11.886  -5.217
  491   2HG2  THR  50          1HG2      THR  50   4.804 -10.716  -6.454
  492   3HG2  THR  50          3HG2      THR  50   6.284 -10.481  -5.524
  493    QG2  THR  50           QG2      THR  50   5.450 -11.027  -5.732
  494    H    LYS  51           H        LYS  51   0.800 -10.178  -3.963
  495    HA   LYS  51           HA       LYS  51  -0.614  -8.967  -2.517
  496   1HB   LYS  51          2HB       LYS  51   1.332 -10.121  -0.486
  497   2HB   LYS  51          1HB       LYS  51  -0.289  -9.530  -0.133
  498   1HG   LYS  51          2HG       LYS  51  -0.320 -11.478  -2.308
  499   2HG   LYS  51          1HG       LYS  51   0.409 -12.151  -0.851
  500   1HD   LYS  51          2HD       LYS  51  -2.070 -10.567  -0.451
  501   2HD   LYS  51          1HD       LYS  51  -2.263 -12.111  -1.276
  502   1HE   LYS  51          2HE       LYS  51  -0.480 -12.390   1.015
  503   2HE   LYS  51          1HE       LYS  51  -2.057 -11.737   1.501
  504   1HZ   LYS  51          2HZ       LYS  51  -3.088 -13.475   0.079
  505   2HZ   LYS  51          1HZ       LYS  51  -1.551 -14.169  -0.128
  506   3HZ   LYS  51          3HZ       LYS  51  -2.247 -14.101   1.417
  507    QB   LYS  51           QB       LYS  51   0.522  -9.825  -0.310
  508    QG   LYS  51           QG       LYS  51   0.045 -11.814  -1.580
  509    QD   LYS  51           QD       LYS  51  -2.167 -11.339  -0.863
  510    QE   LYS  51           QE       LYS  51  -1.268 -12.063   1.258
  511    QZ   LYS  51           QZ       LYS  51  -2.295 -13.915   0.456
  512    H    THR  52           H        THR  52   1.549  -7.493  -3.721
  513    HA   THR  52           HA       THR  52   2.060  -5.460  -1.563
  514    HB   THR  52           HB       THR  52   3.893  -6.342  -3.817
  515    HG1  THR  52          1HG       THR  52   4.360  -7.858  -2.464
  516   1HG2  THR  52          3HG2      THR  52   4.120  -4.306  -1.606
  517   2HG2  THR  52          2HG2      THR  52   5.555  -5.030  -2.332
  518   3HG2  THR  52          1HG2      THR  52   4.437  -4.098  -3.328
  519    QG2  THR  52           QG2      THR  52   4.704  -4.478  -2.422
  520    H    PHE  53           H        PHE  53   1.783  -3.297  -2.200
  521    HA   PHE  53           HA       PHE  53   0.532  -2.876  -4.857
  522   1HB   PHE  53          2HB       PHE  53   0.719  -1.254  -2.307
  523   2HB   PHE  53          1HB       PHE  53  -0.093  -0.673  -3.761
  524    HD1  PHE  53          2HD       PHE  53  -0.056  -3.525  -1.325
  525    HD2  PHE  53          1HD       PHE  53  -2.336  -1.290  -4.209
  526    HE1  PHE  53          2HE       PHE  53  -2.104  -4.776  -0.687
  527    HE2  PHE  53          1HE       PHE  53  -4.371  -2.543  -3.565
  528   1HZ   PHE  53           HZ       PHE  53  -4.256  -4.283  -1.806
  529    QB   PHE  53           QB       PHE  53   0.313  -0.964  -3.034
  530    QG   PHE  53           QD       PHE  53  -1.196  -2.407  -2.767
  531    QZ   PHE  53           QE       PHE  53  -3.238  -3.660  -2.126
  532    QZ   PHE  53           QR       PHE  53  -2.625  -3.283  -2.319
  533    H    THR  54           H        THR  54   1.202  -0.160  -5.381
  534    HA   THR  54           HA       THR  54   4.105   0.187  -5.099
  535    HB   THR  54           HB       THR  54   2.837  -0.358  -7.806
  536    HG1  THR  54          1HG       THR  54   4.052  -2.272  -7.705
  537   1HG2  THR  54          1HG2      THR  54   5.546   0.504  -6.875
  538   2HG2  THR  54          3HG2      THR  54   5.436  -0.553  -8.282
  539   3HG2  THR  54          2HG2      THR  54   4.634   1.018  -8.295
  540    QG2  THR  54           QG2      THR  54   5.205   0.323  -7.817
  541    H    VAL  55           H        VAL  55   4.172   2.347  -4.732
  542    HA   VAL  55           HA       VAL  55   2.239   4.066  -6.212
  543    HB   VAL  55           HB       VAL  55   1.744   4.271  -3.923
  544   1HG1  VAL  55          3HG1      VAL  55   3.674   3.051  -3.043
  545   2HG1  VAL  55          2HG1      VAL  55   4.705   4.470  -3.322
  546   3HG1  VAL  55          1HG1      VAL  55   3.395   4.545  -2.142
  547   1HG2  VAL  55          2HG2      VAL  55   2.120   6.480  -5.040
  548   2HG2  VAL  55          1HG2      VAL  55   2.341   6.524  -3.288
  549   3HG2  VAL  55          3HG2      VAL  55   3.746   6.500  -4.358
  550    QG1  VAL  55           QG1      VAL  55   3.925   4.022  -2.836
  551    QG2  VAL  55           QG2      VAL  55   2.735   6.502  -4.229
  552    QQG  VAL  55           QQG      VAL  55   3.330   5.262  -3.532
  553    H    THR  56           H        THR  56   3.163   4.917  -7.918
  554    HA   THR  56           HA       THR  56   6.072   5.520  -7.947
  555    HB   THR  56           HB       THR  56   3.903   4.717  -9.785
  556    HG1  THR  56          1HG       THR  56   5.551   3.556 -10.637
  557   1HG2  THR  56          2HG2      THR  56   5.873   6.820 -10.668
  558   2HG2  THR  56          1HG2      THR  56   5.232   5.632 -11.805
  559   3HG2  THR  56          3HG2      THR  56   4.129   6.732 -10.967
  560    QG2  THR  56           QG2      THR  56   5.078   6.395 -11.146
  561    H    GLU  57           H        GLU  57   6.016   7.465  -6.627
  562    HA   GLU  57           HA       GLU  57   4.313   9.726  -7.017
  563   1HB   GLU  57          2HB       GLU  57   5.834   9.286  -5.086
  564   2HB   GLU  57          1HB       GLU  57   7.220   9.611  -6.130
  565   1HG   GLU  57          2HG       GLU  57   6.249  11.886  -6.592
  566   2HG   GLU  57          1HG       GLU  57   5.020  11.551  -5.370
  567    QB   GLU  57           QB       GLU  57   6.527   9.448  -5.608
  568    QG   GLU  57           QG       GLU  57   5.634  11.719  -5.981
   
  No H/Q in entry =         568
  Start of MODEL   23
    1   1H    MET   1          1HT       MET   1  -2.888 -15.063   6.861
    2   2H    MET   1          3HT       MET   1  -1.790 -15.645   8.016
    3   3H    MET   1          2HT       MET   1  -2.195 -13.996   7.988
    4    HA   MET   1           HA       MET   1  -0.053 -14.178   6.997
    5   1HB   MET   1          2HB       MET   1   0.257 -15.826   5.151
    6   2HB   MET   1          1HB       MET   1  -0.215 -16.605   6.659
    7   1HG   MET   1          2HG       MET   1  -2.462 -16.910   5.916
    8   2HG   MET   1          1HG       MET   1  -2.240 -15.805   4.559
    9   1HE   MET   1          2HE       MET   1  -3.566 -18.236   4.611
   10   2HE   MET   1          1HE       MET   1  -3.103 -19.048   3.118
   11   3HE   MET   1          3HE       MET   1  -2.689 -19.763   4.681
   12    QB   MET   1           QB       MET   1   0.021 -16.215   5.905
   13    QG   MET   1           QG       MET   1  -2.351 -16.357   5.238
   14    QE   MET   1           QE       MET   1  -3.119 -19.016   4.137
   15    H    THR   2           H        THR   2  -2.033 -12.305   6.695
   16    HA   THR   2           HA       THR   2  -2.261 -11.894   3.730
   17    HB   THR   2           HB       THR   2  -3.928 -10.797   6.018
   18    HG1  THR   2          1HG       THR   2  -5.446 -12.324   5.275
   19   1HG2  THR   2          2HG2      THR   2  -3.862 -10.358   3.089
   20   2HG2  THR   2          1HG2      THR   2  -5.462 -10.626   3.781
   21   3HG2  THR   2          3HG2      THR   2  -4.455  -9.306   4.374
   22    QG2  THR   2           QG2      THR   2  -4.593 -10.097   3.748
   23    H    THR   3           H        THR   3   0.134 -11.183   5.153
   24    HA   THR   3           HA       THR   3   0.080  -8.358   5.879
   25    HB   THR   3           HB       THR   3   2.467 -10.054   5.119
   26    HG1  THR   3          1HG       THR   3   2.304 -11.069   6.996
   27   1HG2  THR   3          3HG2      THR   3   2.418  -7.471   5.804
   28   2HG2  THR   3          2HG2      THR   3   2.370  -8.164   7.427
   29   3HG2  THR   3          1HG2      THR   3   3.708  -8.547   6.344
   30    QG2  THR   3           QG2      THR   3   2.832  -8.061   6.525
   31    H    PHE   4           H        PHE   4  -0.508  -7.010   4.181
   32    HA   PHE   4           HA       PHE   4   0.504  -7.439   1.451
   33   1HB   PHE   4          2HB       PHE   4  -1.234  -5.404   2.862
   34   2HB   PHE   4          1HB       PHE   4  -0.795  -5.235   1.163
   35    HD1  PHE   4          1HD       PHE   4  -1.156  -7.403  -0.310
   36    HD2  PHE   4          2HD       PHE   4  -3.154  -6.612   3.409
   37    HE1  PHE   4          1HE       PHE   4  -2.946  -8.999  -0.933
   38    HE2  PHE   4          2HE       PHE   4  -4.942  -8.208   2.784
   39   1HZ   PHE   4           HZ       PHE   4  -4.838  -9.404   0.615
   40    QB   PHE   4           QB       PHE   4  -1.015  -5.319   2.012
   41    QG   PHE   4           QD       PHE   4  -2.155  -7.007   1.549
   42    QZ   PHE   4           QE       PHE   4  -3.944  -8.604   0.925
   43    QZ   PHE   4           QR       PHE   4  -3.407  -8.125   1.113
   44    H    LYS   5           H        LYS   5   2.341  -6.491   0.647
   45    HA   LYS   5           HA       LYS   5   3.800  -4.536   2.364
   46   1HB   LYS   5          2HB       LYS   5   4.581  -6.157  -0.087
   47   2HB   LYS   5          1HB       LYS   5   5.684  -5.153   0.852
   48   1HG   LYS   5          2HG       LYS   5   6.069  -7.148   1.926
   49   2HG   LYS   5          1HG       LYS   5   4.659  -6.632   2.853
   50   1HD   LYS   5          2HD       LYS   5   3.216  -8.078   1.716
   51   2HD   LYS   5          1HD       LYS   5   4.280  -8.196   0.314
   52   1HE   LYS   5          2HE       LYS   5   5.939  -9.435   1.755
   53   2HE   LYS   5          1HE       LYS   5   4.719  -9.454   3.044
   54   1HZ   LYS   5          1HZ       LYS   5   3.157 -10.462   1.472
   55   2HZ   LYS   5          3HZ       LYS   5   4.367 -10.508   0.285
   56   3HZ   LYS   5          2HZ       LYS   5   4.526 -11.442   1.695
   57    QB   LYS   5           QB       LYS   5   5.132  -5.655   0.382
   58    QG   LYS   5           QG       LYS   5   5.364  -6.890   2.390
   59    QD   LYS   5           QD       LYS   5   3.748  -8.137   1.015
   60    QE   LYS   5           QE       LYS   5   5.329  -9.444   2.399
   61    QZ   LYS   5           QZ       LYS   5   4.017 -10.804   1.151
   62    H    LEU   6           H        LEU   6   5.013  -2.790   0.980
   63    HA   LEU   6           HA       LEU   6   3.398  -1.895  -1.365
   64   1HB   LEU   6          2HB       LEU   6   2.396  -0.901   0.637
   65   2HB   LEU   6          1HB       LEU   6   3.971  -0.315   1.168
   66    HG   LEU   6           HG       LEU   6   4.081   0.997  -1.016
   67   1HD1  LEU   6          1HD1      LEU   6   1.215   0.037  -1.089
   68   2HD1  LEU   6          3HD1      LEU   6   1.752   1.470  -1.965
   69   3HD1  LEU   6          2HD1      LEU   6   2.440  -0.108  -2.350
   70   1HD2  LEU   6          1HD2      LEU   6   3.209   1.749   1.380
   71   2HD2  LEU   6          3HD2      LEU   6   3.071   2.828  -0.008
   72   3HD2  LEU   6          2HD2      LEU   6   1.674   1.893   0.526
   73    QB   LEU   6           QB       LEU   6   3.183  -0.608   0.903
   74    QD1  LEU   6           QD1      LEU   6   1.802   0.467  -1.801
   75    QD2  LEU   6           QD2      LEU   6   2.651   2.157   0.633
   76    QQD  LEU   6           QQD      LEU   6   2.227   1.312  -0.584
   77    H    ILE   7           H        ILE   7   5.062  -1.913  -2.864
   78    HA   ILE   7           HA       ILE   7   7.776  -1.027  -2.178
   79    HB   ILE   7           HB       ILE   7   6.413  -1.764  -4.798
   80   1HG1  ILE   7          2HG1      ILE   7   8.238  -3.404  -3.010
   81   2HG1  ILE   7          1HG1      ILE   7   6.482  -3.568  -3.053
   82   1HG2  ILE   7          1HG2      ILE   7   9.221  -1.036  -4.051
   83   2HG2  ILE   7          3HG2      ILE   7   8.978  -2.282  -5.276
   84   3HG2  ILE   7          2HG2      ILE   7   8.322  -0.663  -5.523
   85   1HD1  ILE   7          1HD1      ILE   7   7.916  -3.691  -5.661
   86   2HD1  ILE   7          3HD1      ILE   7   8.087  -5.077  -4.585
   87   3HD1  ILE   7          2HD1      ILE   7   6.486  -4.571  -5.122
   88    QG1  ILE   7           QG1      ILE   7   7.360  -3.486  -3.031
   89    QG2  ILE   7           QG2      ILE   7   8.840  -1.327  -4.950
   90    QD1  ILE   7           QD1      ILE   7   7.496  -4.446  -5.123
   91    H    ILE   8           H        ILE   8   8.116   1.151  -1.999
   92    HA   ILE   8           HA       ILE   8   6.302   3.030  -3.358
   93    HB   ILE   8           HB       ILE   8   8.776   3.711  -1.771
   94   1HG1  ILE   8          2HG1      ILE   8   7.114   2.011  -0.579
   95   2HG1  ILE   8          1HG1      ILE   8   7.756   3.377   0.298
   96   1HG2  ILE   8          2HG2      ILE   8   6.177   5.087  -2.431
   97   2HG2  ILE   8          1HG2      ILE   8   7.239   5.664  -1.138
   98   3HG2  ILE   8          3HG2      ILE   8   7.827   5.607  -2.801
   99   1HD1  ILE   8          1HD1      ILE   8   5.265   4.034  -1.087
  100   2HD1  ILE   8          3HD1      ILE   8   5.074   2.705   0.049
  101   3HD1  ILE   8          2HD1      ILE   8   5.700   4.258   0.602
  102    QG1  ILE   8           QG1      ILE   8   7.435   2.694  -0.140
  103    QG2  ILE   8           QG2      ILE   8   7.081   5.453  -2.123
  104    QD1  ILE   8           QD1      ILE   8   5.346   3.666  -0.145
  105    H    ASN   9           H        ASN   9   6.755   3.502  -5.488
  106    HA   ASN   9           HA       ASN   9   9.590   3.443  -6.417
  107   1HB   ASN   9          2HB       ASN   9   7.835   2.105  -7.563
  108   2HB   ASN   9          1HB       ASN   9   6.956   3.593  -7.915
  109   1HD2  ASN   9          2HD2      ASN   9   8.966   4.405 -10.695
  110   2HD2  ASN   9          1HD2      ASN   9   7.604   4.782  -9.755
  111    QB   ASN   9           QB       ASN   9   7.395   2.849  -7.739
  112    QD2  ASN   9           QD2      ASN   9   8.285   4.594 -10.225
  113    H    GLY  10           H        GLY  10   9.896   5.590  -5.223
  114   1HA   GLY  10          2HA       GLY  10   9.656   7.788  -7.112
  115   2HA   GLY  10          1HA       GLY  10   8.604   7.994  -5.712
  116    QA   GLY  10           QA       GLY  10   9.130   7.891  -6.412
  117    H    LYS  11           H        LYS  11   9.842   9.816  -4.980
  118    HA   LYS  11           HA       LYS  11  12.610   9.177  -4.029
  119   1HB   LYS  11          2HB       LYS  11  12.886  11.651  -4.067
  120   2HB   LYS  11          1HB       LYS  11  12.406  11.021  -5.641
  121   1HG   LYS  11          2HG       LYS  11  10.145  11.745  -5.346
  122   2HG   LYS  11          1HG       LYS  11  10.404  12.079  -3.634
  123   1HD   LYS  11          2HD       LYS  11  12.151  13.788  -4.367
  124   2HD   LYS  11          1HD       LYS  11  11.526  13.585  -6.004
  125   1HE   LYS  11          2HE       LYS  11   9.226  14.154  -5.114
  126   2HE   LYS  11          1HE       LYS  11  10.000  14.572  -3.572
  127   1HZ   LYS  11          2HZ       LYS  11  11.529  16.021  -4.855
  128   2HZ   LYS  11          1HZ       LYS  11  10.586  15.739  -6.240
  129   3HZ   LYS  11          3HZ       LYS  11   9.912  16.539  -4.904
  130    QB   LYS  11           QB       LYS  11  12.646  11.336  -4.854
  131    QG   LYS  11           QG       LYS  11  10.275  11.912  -4.490
  132    QD   LYS  11           QD       LYS  11  11.838  13.686  -5.185
  133    QE   LYS  11           QE       LYS  11   9.613  14.363  -4.343
  134    QZ   LYS  11           QZ       LYS  11  10.675  16.100  -5.333
  135    H    THR  12           H        THR  12   9.407  10.229  -3.040
  136    HA   THR  12           HA       THR  12  10.201  11.009  -0.331
  137    HB   THR  12           HB       THR  12   7.623  10.947  -0.111
  138    HG1  THR  12          1HG       THR  12   7.481   9.471  -1.949
  139   1HG2  THR  12          2HG2      THR  12   9.154  12.932  -0.749
  140   2HG2  THR  12          1HG2      THR  12   8.602  12.646  -2.400
  141   3HG2  THR  12          3HG2      THR  12   7.439  13.061  -1.141
  142    QG2  THR  12           QG2      THR  12   8.399  12.880  -1.430
  143    H    LEU  13           H        LEU  13  11.098   9.299   0.794
  144    HA   LEU  13           HA       LEU  13  11.179   7.306   2.010
  145   1HB   LEU  13          2HB       LEU  13   9.248   7.088   3.194
  146   2HB   LEU  13          1HB       LEU  13   8.614   8.375   2.182
  147    HG   LEU  13           HG       LEU  13   7.964   6.450   0.556
  148   1HD1  LEU  13          3HD1      LEU  13   8.652   5.023   3.107
  149   2HD1  LEU  13          2HD1      LEU  13   7.341   4.411   2.097
  150   3HD1  LEU  13          1HD1      LEU  13   8.974   4.537   1.442
  151   1HD2  LEU  13          3HD2      LEU  13   6.590   7.886   2.404
  152   2HD2  LEU  13          2HD2      LEU  13   5.835   6.672   1.373
  153   3HD2  LEU  13          1HD2      LEU  13   6.315   6.256   3.017
  154    QB   LEU  13           QB       LEU  13   8.931   7.731   2.688
  155    QD1  LEU  13           QD1      LEU  13   8.322   4.657   2.215
  156    QD2  LEU  13           QD2      LEU  13   6.247   6.938   2.265
  157    QQD  LEU  13           QQD      LEU  13   7.284   5.798   2.240
  158    H    LYS  14           H        LYS  14  11.725   5.207   1.423
  159    HA   LYS  14           HA       LYS  14  10.534   4.062  -1.019
  160   1HB   LYS  14          2HB       LYS  14  13.475   4.484  -0.457
  161   2HB   LYS  14          1HB       LYS  14  12.844   3.582  -1.835
  162   1HG   LYS  14          2HG       LYS  14  11.539   5.657  -2.473
  163   2HG   LYS  14          1HG       LYS  14  12.444   6.521  -1.228
  164   1HD   LYS  14          2HD       LYS  14  13.613   6.880  -3.293
  165   2HD   LYS  14          1HD       LYS  14  14.567   5.720  -2.370
  166   1HE   LYS  14          2HE       LYS  14  12.555   4.377  -4.018
  167   2HE   LYS  14          1HE       LYS  14  13.665   5.362  -4.991
  168   1HZ   LYS  14          3HZ       LYS  14  14.572   3.547  -2.826
  169   2HZ   LYS  14          2HZ       LYS  14  14.497   3.078  -4.457
  170   3HZ   LYS  14          1HZ       LYS  14  15.531   4.338  -3.979
  171    QB   LYS  14           QB       LYS  14  13.159   4.033  -1.146
  172    QG   LYS  14           QG       LYS  14  11.992   6.089  -1.851
  173    QD   LYS  14           QD       LYS  14  14.090   6.300  -2.831
  174    QE   LYS  14           QE       LYS  14  13.110   4.870  -4.504
  175    QZ   LYS  14           QZ       LYS  14  14.867   3.654  -3.754
  176    H    GLY  15           H        GLY  15  10.266   1.845  -0.894
  177   1HA   GLY  15          2HA       GLY  15  11.450  -0.286  -0.062
  178   2HA   GLY  15          1HA       GLY  15  11.412   0.497   1.517
  179    QA   GLY  15           QA       GLY  15  11.431   0.105   0.727
  180    H    GLU  16           H        GLU  16  10.185  -1.530   2.069
  181    HA   GLU  16           HA       GLU  16   7.272  -1.269   1.376
  182   1HB   GLU  16          2HB       GLU  16   9.014  -3.678   1.985
  183   2HB   GLU  16          1HB       GLU  16   7.266  -3.755   1.763
  184   1HG   GLU  16          2HG       GLU  16   7.881  -4.169  -0.410
  185   2HG   GLU  16          1HG       GLU  16   7.917  -2.406  -0.474
  186    QB   GLU  16           QB       GLU  16   8.140  -3.716   1.874
  187    QG   GLU  16           QG       GLU  16   7.899  -3.288  -0.442
  188    H    ILE  17           H        ILE  17   5.802  -1.842   3.154
  189    HA   ILE  17           HA       ILE  17   7.045  -1.463   5.860
  190    HB   ILE  17           HB       ILE  17   4.295  -0.711   4.818
  191   1HG1  ILE  17          2HG1      ILE  17   5.504   1.631   5.455
  192   2HG1  ILE  17          1HG1      ILE  17   6.910   0.698   4.940
  193   1HG2  ILE  17          3HG2      ILE  17   5.615  -0.608   7.495
  194   2HG2  ILE  17          2HG2      ILE  17   4.582   0.747   7.040
  195   3HG2  ILE  17          1HG2      ILE  17   3.922  -0.887   7.090
  196   1HD1  ILE  17          2HD1      ILE  17   5.195   0.049   2.956
  197   2HD1  ILE  17          1HD1      ILE  17   4.588   1.656   3.353
  198   3HD1  ILE  17          3HD1      ILE  17   6.270   1.444   2.870
  199    QG1  ILE  17           QG1      ILE  17   6.207   1.165   5.197
  200    QG2  ILE  17           QG2      ILE  17   4.706  -0.249   7.208
  201    QD1  ILE  17           QD1      ILE  17   5.351   1.050   3.060
  202    H    THR  18           H        THR  18   5.129  -3.569   3.886
  203    HA   THR  18           HA       THR  18   3.883  -5.516   4.339
  204    HB   THR  18           HB       THR  18   5.103  -7.016   5.867
  205    HG1  THR  18          1HG       THR  18   6.700  -6.232   7.162
  206   1HG2  THR  18          3HG2      THR  18   6.417  -5.382   3.795
  207   2HG2  THR  18          2HG2      THR  18   7.527  -6.202   4.892
  208   3HG2  THR  18          1HG2      THR  18   6.346  -7.135   3.974
  209    QG2  THR  18           QG2      THR  18   6.763  -6.240   4.220
  210    H    ILE  19           H        ILE  19   1.853  -4.783   5.061
  211    HA   ILE  19           HA       ILE  19   1.493  -4.756   8.040
  212    HB   ILE  19           HB       ILE  19  -0.135  -2.930   7.719
  213   1HG1  ILE  19          2HG1      ILE  19   0.311  -1.926   5.183
  214   2HG1  ILE  19          1HG1      ILE  19   0.260  -3.662   4.886
  215   1HG2  ILE  19          2HG2      ILE  19   2.589  -2.485   6.470
  216   2HG2  ILE  19          1HG2      ILE  19   1.497  -1.180   6.934
  217   3HG2  ILE  19          3HG2      ILE  19   2.144  -2.266   8.163
  218   1HD1  ILE  19          3HD1      ILE  19  -1.871  -3.570   6.432
  219   2HD1  ILE  19          2HD1      ILE  19  -1.884  -1.866   5.977
  220   3HD1  ILE  19          1HD1      ILE  19  -1.999  -3.110   4.733
  221    QG1  ILE  19           QG1      ILE  19   0.285  -2.794   5.035
  222    QG2  ILE  19           QG2      ILE  19   2.076  -1.977   7.189
  223    QD1  ILE  19           QD1      ILE  19  -1.918  -2.849   5.714
  224    H    GLU  20           H        GLU  20  -0.114  -6.099   8.749
  225    HA   GLU  20           HA       GLU  20  -1.557  -7.789   6.852
  226   1HB   GLU  20          2HB       GLU  20  -1.174  -7.505   9.796
  227   2HB   GLU  20          1HB       GLU  20  -2.626  -8.353   9.265
  228   1HG   GLU  20          2HG       GLU  20  -1.364  -9.988   8.078
  229   2HG   GLU  20          1HG       GLU  20   0.114  -9.029   8.183
  230    QB   GLU  20           QB       GLU  20  -1.900  -7.929   9.530
  231    QG   GLU  20           QG       GLU  20  -0.625  -9.508   8.131
  232    H    ALA  21           H        ALA  21  -3.919  -7.916   6.756
  233    HA   ALA  21           HA       ALA  21  -5.586  -5.842   7.957
  234   1HB   ALA  21          2HB       ALA  21  -4.692  -5.714   5.064
  235   2HB   ALA  21          1HB       ALA  21  -6.105  -4.842   5.662
  236   3HB   ALA  21          3HB       ALA  21  -4.505  -4.473   6.304
  237    QB   ALA  21           QB       ALA  21  -5.101  -5.010   5.677
  238    H    VAL  22           H        VAL  22  -7.864  -5.998   7.028
  239    HA   VAL  22           HA       VAL  22  -8.869  -8.621   7.023
  240    HB   VAL  22           HB       VAL  22 -10.170  -6.573   7.441
  241   1HG1  VAL  22          1HG1      VAL  22  -8.926  -5.411   5.419
  242   2HG1  VAL  22          3HG1      VAL  22 -10.294  -6.024   4.493
  243   3HG1  VAL  22          2HG1      VAL  22 -10.567  -4.926   5.844
  244   1HG2  VAL  22          2HG2      VAL  22 -11.294  -8.686   6.619
  245   2HG2  VAL  22          1HG2      VAL  22 -12.193  -7.206   6.283
  246   3HG2  VAL  22          3HG2      VAL  22 -11.273  -7.990   4.998
  247    QG1  VAL  22           QG1      VAL  22  -9.929  -5.453   5.252
  248    QG2  VAL  22           QG2      VAL  22 -11.587  -7.961   5.967
  249    QQG  VAL  22           QQG      VAL  22 -10.758  -6.707   5.609
  250    H    ASP  23           H        ASP  23  -7.813  -6.611   4.312
  251    HA   ASP  23           HA       ASP  23  -7.404  -8.931   2.596
  252   1HB   ASP  23          2HB       ASP  23  -9.101  -8.182   0.899
  253   2HB   ASP  23          1HB       ASP  23  -9.828  -8.722   2.409
  254    QB   ASP  23           QB       ASP  23  -9.464  -8.452   1.654
  255    H    ALA  24           H        ALA  24  -6.742  -8.060   0.299
  256    HA   ALA  24           HA       ALA  24  -4.663  -6.124   0.612
  257   1HB   ALA  24          1HB       ALA  24  -5.226  -7.996  -1.197
  258   2HB   ALA  24          3HB       ALA  24  -5.952  -6.631  -2.046
  259   3HB   ALA  24          2HB       ALA  24  -4.238  -6.596  -1.622
  260    QB   ALA  24           QB       ALA  24  -5.139  -7.074  -1.622
  261    H    ALA  25           H        ALA  25  -8.045  -5.839  -0.338
  262    HA   ALA  25           HA       ALA  25  -8.082  -3.255  -1.477
  263   1HB   ALA  25          2HB       ALA  25  -9.918  -5.050  -1.207
  264   2HB   ALA  25          1HB       ALA  25 -10.182  -4.360   0.395
  265   3HB   ALA  25          3HB       ALA  25 -10.423  -3.368  -1.044
  266    QB   ALA  25           QB       ALA  25 -10.174  -4.259  -0.619
  267    H    GLU  26           H        GLU  26  -8.322  -4.260   1.933
  268    HA   GLU  26           HA       GLU  26  -8.558  -1.584   3.019
  269   1HB   GLU  26          2HB       GLU  26  -9.184  -3.811   4.086
  270   2HB   GLU  26          1HB       GLU  26  -7.461  -4.096   4.328
  271   1HG   GLU  26          2HG       GLU  26  -7.849  -3.055   6.327
  272   2HG   GLU  26          1HG       GLU  26  -7.673  -1.592   5.358
  273    QB   GLU  26           QB       GLU  26  -8.322  -3.954   4.207
  274    QG   GLU  26           QG       GLU  26  -7.761  -2.324   5.843
  275    H    ALA  27           H        ALA  27  -5.840  -3.841   2.533
  276    HA   ALA  27           HA       ALA  27  -3.740  -2.329   3.698
  277   1HB   ALA  27          2HB       ALA  27  -4.090  -4.467   1.686
  278   2HB   ALA  27          1HB       ALA  27  -2.595  -3.547   1.510
  279   3HB   ALA  27          3HB       ALA  27  -2.952  -4.370   3.030
  280    QB   ALA  27           QB       ALA  27  -3.212  -4.128   2.075
  281    H    GLU  28           H        GLU  28  -5.039  -2.236   0.366
  282    HA   GLU  28           HA       GLU  28  -3.278  -0.264  -0.705
  283   1HB   GLU  28          2HB       GLU  28  -5.098  -1.807  -1.781
  284   2HB   GLU  28          1HB       GLU  28  -6.206  -0.486  -1.409
  285   1HG   GLU  28          2HG       GLU  28  -4.474   1.035  -2.587
  286   2HG   GLU  28          1HG       GLU  28  -3.806  -0.454  -3.250
  287    QB   GLU  28           QB       GLU  28  -5.652  -1.146  -1.595
  288    QG   GLU  28           QG       GLU  28  -4.140   0.291  -2.918
  289    H    LYS  29           H        LYS  29  -6.282   0.028   1.182
  290    HA   LYS  29           HA       LYS  29  -6.521   2.912   0.952
  291   1HB   LYS  29          2HB       LYS  29  -7.529   0.841   2.929
  292   2HB   LYS  29          1HB       LYS  29  -8.026   2.532   2.963
  293   1HG   LYS  29          2HG       LYS  29  -8.235   1.270   0.303
  294   2HG   LYS  29          1HG       LYS  29  -9.294   0.563   1.521
  295   1HD   LYS  29          2HD       LYS  29 -10.673   2.280   0.891
  296   2HD   LYS  29          1HD       LYS  29  -9.699   3.181   2.051
  297   1HE   LYS  29          2HE       LYS  29  -8.621   4.378   0.411
  298   2HE   LYS  29          1HE       LYS  29  -8.606   3.005  -0.716
  299   1HZ   LYS  29          2HZ       LYS  29 -11.047   3.259  -0.903
  300   2HZ   LYS  29          1HZ       LYS  29 -10.946   4.684   0.017
  301   3HZ   LYS  29          3HZ       LYS  29 -10.193   4.601  -1.500
  302    QB   LYS  29           QB       LYS  29  -7.778   1.687   2.946
  303    QG   LYS  29           QG       LYS  29  -8.764   0.917   0.912
  304    QD   LYS  29           QD       LYS  29 -10.186   2.731   1.471
  305    QE   LYS  29           QE       LYS  29  -8.613   3.691  -0.152
  306    QZ   LYS  29           QZ       LYS  29 -10.728   4.181  -0.795
  307    H    ILE  30           H        ILE  30  -5.307   0.764   3.545
  308    HA   ILE  30           HA       ILE  30  -4.332   2.763   5.327
  309    HB   ILE  30           HB       ILE  30  -3.329  -0.044   4.697
  310   1HG1  ILE  30          2HG1      ILE  30  -5.090   0.744   7.011
  311   2HG1  ILE  30          1HG1      ILE  30  -5.799   0.416   5.431
  312   1HG2  ILE  30          3HG2      ILE  30  -2.752   1.888   6.940
  313   2HG2  ILE  30          2HG2      ILE  30  -2.659   0.147   7.211
  314   3HG2  ILE  30          1HG2      ILE  30  -1.620   0.910   6.007
  315   1HD1  ILE  30          3HD1      ILE  30  -3.814  -1.575   6.383
  316   2HD1  ILE  30          2HD1      ILE  30  -5.332  -1.516   7.282
  317   3HD1  ILE  30          1HD1      ILE  30  -5.348  -1.823   5.545
  318    QG1  ILE  30           QG1      ILE  30  -5.444   0.580   6.221
  319    QG2  ILE  30           QG2      ILE  30  -2.344   0.982   6.719
  320    QD1  ILE  30           QD1      ILE  30  -4.832  -1.638   6.403
  321    H    PHE  31           H        PHE  31  -2.856   1.153   2.541
  322    HA   PHE  31           HA       PHE  31  -0.261   2.440   2.784
  323   1HB   PHE  31          2HB       PHE  31  -1.782   0.813   0.756
  324   2HB   PHE  31          1HB       PHE  31  -0.284   1.606   0.270
  325    HD1  PHE  31          1HD       PHE  31   1.472   1.425   2.526
  326    HD2  PHE  31          2HD       PHE  31  -1.396  -1.448   1.126
  327    HE1  PHE  31          1HE       PHE  31   2.777  -0.393   3.589
  328    HE2  PHE  31          2HE       PHE  31  -0.089  -3.269   2.193
  329   1HZ   PHE  31           HZ       PHE  31   1.999  -2.738   3.425
  330    QB   PHE  31           QB       PHE  31  -1.033   1.209   0.513
  331    QG   PHE  31           QD       PHE  31   0.038  -0.012   1.826
  332    QZ   PHE  31           QE       PHE  31   1.344  -1.831   2.891
  333    QZ   PHE  31           QR       PHE  31   0.952  -1.285   2.572
  334    H    LYS  32           H        LYS  32  -3.254   3.085   0.987
  335    HA   LYS  32           HA       LYS  32  -2.181   5.336  -0.476
  336   1HB   LYS  32          2HB       LYS  32  -4.885   4.112  -0.027
  337   2HB   LYS  32          1HB       LYS  32  -4.718   5.632  -0.904
  338   1HG   LYS  32          2HG       LYS  32  -3.264   4.617  -2.540
  339   2HG   LYS  32          1HG       LYS  32  -3.182   3.119  -1.613
  340   1HD   LYS  32          2HD       LYS  32  -4.769   2.821  -3.433
  341   2HD   LYS  32          1HD       LYS  32  -5.660   2.867  -1.911
  342   1HE   LYS  32          2HE       LYS  32  -6.115   5.304  -2.298
  343   2HE   LYS  32          1HE       LYS  32  -5.345   5.151  -3.890
  344   1HZ   LYS  32          2HZ       LYS  32  -6.876   3.330  -4.395
  345   2HZ   LYS  32          1HZ       LYS  32  -7.652   3.560  -2.901
  346   3HZ   LYS  32          3HZ       LYS  32  -7.715   4.774  -4.085
  347    QB   LYS  32           QB       LYS  32  -4.802   4.872  -0.466
  348    QG   LYS  32           QG       LYS  32  -3.223   3.868  -2.077
  349    QD   LYS  32           QD       LYS  32  -5.215   2.844  -2.672
  350    QE   LYS  32           QE       LYS  32  -5.730   5.228  -3.094
  351    QZ   LYS  32           QZ       LYS  32  -7.415   3.888  -3.794
  352    H    GLN  33           H        GLN  33  -2.821   5.069   2.778
  353    HA   GLN  33           HA       GLN  33  -3.813   7.911   2.996
  354   1HB   GLN  33          2HB       GLN  33  -5.115   6.010   4.079
  355   2HB   GLN  33          1HB       GLN  33  -3.695   5.689   5.075
  356   1HG   GLN  33          2HG       GLN  33  -5.057   7.092   6.417
  357   2HG   GLN  33          1HG       GLN  33  -3.828   8.170   5.753
  358   1HE2  GLN  33          2HE2      GLN  33  -7.569   8.365   4.034
  359   2HE2  GLN  33          1HE2      GLN  33  -6.979   6.859   4.548
  360    QB   GLN  33           QB       GLN  33  -4.405   5.849   4.577
  361    QG   GLN  33           QG       GLN  33  -4.442   7.631   6.085
  362    QE2  GLN  33           QE2      GLN  33  -7.274   7.612   4.291
  363    H    TYR  34           H        TYR  34  -1.638   5.462   4.188
  364    HA   TYR  34           HA       TYR  34   0.195   6.886   5.784
  365   1HB   TYR  34          2HB       TYR  34   0.236   4.531   5.712
  366   2HB   TYR  34          1HB       TYR  34   0.087   4.496   3.950
  367    HD1  TYR  34          1HD       TYR  34   2.401   4.879   6.819
  368    HD2  TYR  34          2HD       TYR  34   2.084   4.746   2.536
  369    HE1  TYR  34          1HE       TYR  34   4.861   4.618   6.645
  370    HE2  TYR  34          2HE       TYR  34   4.544   4.485   2.363
  371    HH   TYR  34           HH       TYR  34   6.484   3.621   4.911
  372    QB   TYR  34           QB       TYR  34   0.162   4.514   4.831
  373    QG   TYR  34           QD       TYR  34   2.242   4.813   4.677
  374    QZ   TYR  34           QE       TYR  34   4.702   4.552   4.504
  375    QR   TYR  34           QR       TYR  34   3.472   4.682   4.591
  376    H    ALA  35           H        ALA  35   0.056   6.427   2.255
  377    HA   ALA  35           HA       ALA  35   2.517   7.686   1.497
  378   1HB   ALA  35          3HB       ALA  35  -0.141   7.054   0.261
  379   2HB   ALA  35          2HB       ALA  35   0.946   8.135  -0.613
  380   3HB   ALA  35          1HB       ALA  35   1.468   6.500  -0.205
  381    QB   ALA  35           QB       ALA  35   0.758   7.230  -0.186
  382    H    ASN  36           H        ASN  36  -0.805   9.045   1.495
  383    HA   ASN  36           HA       ASN  36  -0.114  11.727   0.865
  384   1HB   ASN  36          2HB       ASN  36  -2.373  10.314   2.228
  385   2HB   ASN  36          1HB       ASN  36  -2.350  12.076   2.220
  386   1HD2  ASN  36          2HD2      ASN  36  -2.753  10.105  -1.370
  387   2HD2  ASN  36          1HD2      ASN  36  -2.025   9.303  -0.064
  388    QB   ASN  36           QB       ASN  36  -2.361  11.195   2.224
  389    QD2  ASN  36           QD2      ASN  36  -2.389   9.704  -0.717
  390    H    ASP  37           H        ASP  37  -0.651  10.243   4.079
  391    HA   ASP  37           HA       ASP  37  -0.180  12.510   5.690
  392   1HB   ASP  37          2HB       ASP  37   0.094   9.548   5.970
  393   2HB   ASP  37          1HB       ASP  37   0.725  10.565   7.266
  394    QB   ASP  37           QB       ASP  37   0.409  10.056   6.618
  395    H    ASN  38           H        ASN  38   2.096  10.620   3.889
  396    HA   ASN  38           HA       ASN  38   4.383  11.861   5.276
  397   1HB   ASN  38          2HB       ASN  38   4.015   9.324   4.752
  398   2HB   ASN  38          1HB       ASN  38   4.537   9.771   3.129
  399   1HD2  ASN  38          2HD2      ASN  38   7.934  10.161   4.039
  400   2HD2  ASN  38          1HD2      ASN  38   6.774  10.301   2.809
  401    QB   ASN  38           QB       ASN  38   4.276   9.547   3.941
  402    QD2  ASN  38           QD2      ASN  38   7.354  10.231   3.424
  403    H    GLY  39           H        GLY  39   2.835  11.577   2.107
  404   1HA   GLY  39          2HA       GLY  39   2.961  13.701   0.732
  405   2HA   GLY  39          1HA       GLY  39   4.688  13.694   1.084
  406    QA   GLY  39           QA       GLY  39   3.825  13.698   0.908
  407    H    ILE  40           H        ILE  40   2.742  10.835   0.272
  408    HA   ILE  40           HA       ILE  40   4.504  10.414  -2.104
  409    HB   ILE  40           HB       ILE  40   3.133   8.770  -0.042
  410   1HG1  ILE  40          2HG1      ILE  40   5.231   7.425  -0.366
  411   2HG1  ILE  40          1HG1      ILE  40   5.725   8.617  -1.570
  412   1HG2  ILE  40          2HG2      ILE  40   2.117   7.927  -2.189
  413   2HG2  ILE  40          1HG2      ILE  40   3.751   7.559  -2.741
  414   3HG2  ILE  40          3HG2      ILE  40   3.090   6.739  -1.324
  415   1HD1  ILE  40          1HD1      ILE  40   4.907   9.365   1.233
  416   2HD1  ILE  40          3HD1      ILE  40   6.584   9.037   0.786
  417   3HD1  ILE  40          2HD1      ILE  40   5.716  10.378   0.034
  418    QG1  ILE  40           QG1      ILE  40   5.478   8.021  -0.968
  419    QG2  ILE  40           QG2      ILE  40   2.986   7.408  -2.085
  420    QD1  ILE  40           QD1      ILE  40   5.736   9.593   0.685
  421    H    ASP  41           H        ASP  41   3.598  10.937  -4.017
  422    HA   ASP  41           HA       ASP  41   0.729  10.311  -4.517
  423   1HB   ASP  41          2HB       ASP  41   2.031  13.042  -4.697
  424   2HB   ASP  41          1HB       ASP  41   0.445  12.672  -5.376
  425    QB   ASP  41           QB       ASP  41   1.238  12.857  -5.036
  426    H    GLY  42           H        GLY  42   1.008   8.986  -6.285
  427   1HA   GLY  42          2HA       GLY  42   1.946  10.133  -8.782
  428   2HA   GLY  42          1HA       GLY  42   3.043   8.896  -8.171
  429    QA   GLY  42           QA       GLY  42   2.495   9.515  -8.476
  430    H    GLU  43           H        GLU  43   2.559   6.799  -8.668
  431    HA   GLU  43           HA       GLU  43  -0.164   6.235  -9.805
  432   1HB   GLU  43          2HB       GLU  43   2.381   5.933 -10.852
  433   2HB   GLU  43          1HB       GLU  43   2.016   4.309 -10.271
  434   1HG   GLU  43          2HG       GLU  43   0.200   4.055 -11.703
  435   2HG   GLU  43          1HG       GLU  43  -0.067   5.794 -11.838
  436    QB   GLU  43           QB       GLU  43   2.198   5.121 -10.562
  437    QG   GLU  43           QG       GLU  43   0.067   4.925 -11.771
  438    H    TRP  44           H        TRP  44  -0.668   3.738  -9.550
  439    HA   TRP  44           HA       TRP  44   0.252   2.536  -6.980
  440   1HB   TRP  44          2HB       TRP  44  -2.447   3.763  -7.535
  441   2HB   TRP  44          1HB       TRP  44  -2.344   2.341  -6.492
  442    HD1  TRP  44           HD       TRP  44  -1.356   6.020  -6.646
  443    HE1  TRP  44          1HE       TRP  44  -0.610   6.758  -4.291
  444    HE3  TRP  44          3HE       TRP  44  -1.358   1.501  -4.300
  445    HZ2  TRP  44          2HZ       TRP  44  -0.078   5.573  -1.741
  446    HZ3  TRP  44          3HZ       TRP  44  -0.726   1.332  -1.901
  447    HH2  TRP  44           HH       TRP  44  -0.080   3.363  -0.631
  448    QB   TRP  44           QB       TRP  44  -2.395   3.052  -7.013
  449    H    THR  45           H        THR  45   0.327   0.344  -7.285
  450    HA   THR  45           HA       THR  45  -1.636  -0.938  -9.127
  451    HB   THR  45           HB       THR  45   0.042  -1.956 -10.462
  452    HG1  THR  45          1HG       THR  45   2.025  -2.289  -9.790
  453   1HG2  THR  45          2HG2      THR  45  -0.238   0.439 -10.972
  454   2HG2  THR  45          1HG2      THR  45   1.060   0.824  -9.839
  455   3HG2  THR  45          3HG2      THR  45   1.410  -0.097 -11.303
  456    QG2  THR  45           QG2      THR  45   0.744   0.388 -10.705
  457    H    TYR  46           H        TYR  46  -2.333  -2.837  -8.277
  458    HA   TYR  46           HA       TYR  46  -0.990  -3.842  -5.818
  459   1HB   TYR  46          2HB       TYR  46  -3.353  -3.374  -5.638
  460   2HB   TYR  46          1HB       TYR  46  -3.703  -4.303  -7.099
  461    HD1  TYR  46          1HD       TYR  46  -1.760  -4.884  -3.932
  462    HD2  TYR  46          2HD       TYR  46  -4.707  -6.367  -6.682
  463    HE1  TYR  46          1HE       TYR  46  -1.978  -6.952  -2.583
  464    HE2  TYR  46          2HE       TYR  46  -4.924  -8.435  -5.331
  465    HH   TYR  46           HH       TYR  46  -4.489  -9.015  -2.778
  466    QB   TYR  46           QB       TYR  46  -3.528  -3.838  -6.368
  467    QG   TYR  46           QD       TYR  46  -3.233  -5.626  -5.307
  468    QZ   TYR  46           QE       TYR  46  -3.451  -7.694  -3.957
  469    QR   TYR  46           QR       TYR  46  -3.342  -6.660  -4.632
  470    H    ASP  47           H        ASP  47   0.118  -5.761  -5.840
  471    HA   ASP  47           HA       ASP  47   0.157  -7.339  -8.374
  472   1HB   ASP  47          2HB       ASP  47   1.997  -7.226  -5.958
  473   2HB   ASP  47          1HB       ASP  47   2.277  -8.221  -7.386
  474    QB   ASP  47           QB       ASP  47   2.137  -7.724  -6.672
  475    H    ASP  48           H        ASP  48  -1.617  -8.730  -8.136
  476    HA   ASP  48           HA       ASP  48  -2.363 -10.019  -5.667
  477   1HB   ASP  48          2HB       ASP  48  -3.823 -11.339  -7.189
  478   2HB   ASP  48          1HB       ASP  48  -3.899  -9.612  -7.535
  479    QB   ASP  48           QB       ASP  48  -3.861 -10.475  -7.362
  480    H    ALA  49           H        ALA  49   0.283 -10.613  -7.704
  481    HA   ALA  49           HA       ALA  49   0.380 -13.530  -7.270
  482   1HB   ALA  49          2HB       ALA  49   1.870 -11.427  -8.803
  483   2HB   ALA  49          1HB       ALA  49   2.700 -12.942  -8.449
  484   3HB   ALA  49          3HB       ALA  49   1.197 -12.955  -9.373
  485    QB   ALA  49           QB       ALA  49   1.922 -12.441  -8.875
  486    H    THR  50           H        THR  50   1.773 -10.543  -6.021
  487    HA   THR  50           HA       THR  50   3.365 -12.153  -4.052
  488    HB   THR  50           HB       THR  50   4.912 -10.193  -4.090
  489    HG1  THR  50          1HG       THR  50   3.351  -8.656  -4.741
  490   1HG2  THR  50          3HG2      THR  50   4.983 -12.219  -5.721
  491   2HG2  THR  50          2HG2      THR  50   4.446 -11.057  -6.934
  492   3HG2  THR  50          1HG2      THR  50   5.974 -10.808  -6.090
  493    QG2  THR  50           QG2      THR  50   5.134 -11.361  -6.248
  494    H    LYS  51           H        LYS  51   0.578 -10.402  -4.314
  495    HA   LYS  51           HA       LYS  51  -0.748  -9.189  -2.792
  496   1HB   LYS  51          2HB       LYS  51   1.197 -10.524  -0.873
  497   2HB   LYS  51          1HB       LYS  51  -0.364  -9.837  -0.427
  498   1HG   LYS  51          2HG       LYS  51  -0.319 -11.844  -2.642
  499   2HG   LYS  51          1HG       LYS  51  -0.100 -12.434  -0.994
  500   1HD   LYS  51          2HD       LYS  51  -2.184 -11.396  -0.291
  501   2HD   LYS  51          1HD       LYS  51  -2.381 -10.643  -1.874
  502   1HE   LYS  51          2HE       LYS  51  -3.028 -12.620  -2.888
  503   2HE   LYS  51          1HE       LYS  51  -2.066 -13.621  -1.782
  504   1HZ   LYS  51          3HZ       LYS  51  -3.584 -12.908   0.021
  505   2HZ   LYS  51          2HZ       LYS  51  -4.564 -12.145  -1.137
  506   3HZ   LYS  51          1HZ       LYS  51  -4.359 -13.831  -1.172
  507    QB   LYS  51           QB       LYS  51   0.417 -10.180  -0.650
  508    QG   LYS  51           QG       LYS  51  -0.210 -12.139  -1.818
  509    QD   LYS  51           QD       LYS  51  -2.282 -11.020  -1.082
  510    QE   LYS  51           QE       LYS  51  -2.547 -13.120  -2.335
  511    QZ   LYS  51           QZ       LYS  51  -4.169 -12.961  -0.763
  512    H    THR  52           H        THR  52   1.549  -7.827  -3.978
  513    HA   THR  52           HA       THR  52   2.142  -5.858  -1.777
  514    HB   THR  52           HB       THR  52   3.907  -6.692  -4.101
  515    HG1  THR  52          1HG       THR  52   3.817  -8.383  -2.702
  516   1HG2  THR  52          3HG2      THR  52   4.112  -4.704  -1.889
  517   2HG2  THR  52          2HG2      THR  52   5.574  -5.591  -2.320
  518   3HG2  THR  52          1HG2      THR  52   4.739  -4.622  -3.535
  519    QG2  THR  52           QG2      THR  52   4.808  -4.972  -2.581
  520    H    PHE  53           H        PHE  53   1.947  -3.668  -2.351
  521    HA   PHE  53           HA       PHE  53   0.589  -3.120  -4.927
  522   1HB   PHE  53          2HB       PHE  53   1.026  -1.598  -2.350
  523   2HB   PHE  53          1HB       PHE  53   0.205  -0.893  -3.743
  524    HD1  PHE  53          1HD       PHE  53   0.087  -3.691  -1.286
  525    HD2  PHE  53          2HD       PHE  53  -2.064  -1.452  -4.263
  526    HE1  PHE  53          1HE       PHE  53  -2.026  -4.819  -0.615
  527    HE2  PHE  53          2HE       PHE  53  -4.162  -2.581  -3.588
  528   1HZ   PHE  53           HZ       PHE  53  -4.143  -4.262  -1.769
  529    QB   PHE  53           QB       PHE  53   0.616  -1.246  -3.046
  530    QG   PHE  53           QD       PHE  53  -0.989  -2.572  -2.774
  531    QZ   PHE  53           QE       PHE  53  -3.094  -3.700  -2.101
  532    QZ   PHE  53           QR       PHE  53  -2.462  -3.361  -2.304
  533    H    THR  54           H        THR  54   1.310  -0.505  -5.502
  534    HA   THR  54           HA       THR  54   4.248  -0.238  -5.432
  535    HB   THR  54           HB       THR  54   2.939  -0.257  -8.136
  536    HG1  THR  54          1HG       THR  54   3.532  -2.522  -8.230
  537   1HG2  THR  54          1HG2      THR  54   5.316   0.473  -7.701
  538   2HG2  THR  54          3HG2      THR  54   5.668  -1.187  -7.222
  539   3HG2  THR  54          2HG2      THR  54   5.154  -0.835  -8.873
  540    QG2  THR  54           QG2      THR  54   5.379  -0.517  -7.932
  541    H    VAL  55           H        VAL  55   3.765   1.723  -4.402
  542    HA   VAL  55           HA       VAL  55   2.023   3.642  -5.817
  543    HB   VAL  55           HB       VAL  55   1.556   3.387  -3.490
  544   1HG1  VAL  55          2HG1      VAL  55   4.521   3.845  -3.044
  545   2HG1  VAL  55          1HG1      VAL  55   3.316   3.894  -1.759
  546   3HG1  VAL  55          3HG1      VAL  55   3.576   2.399  -2.654
  547   1HG2  VAL  55          3HG2      VAL  55   1.515   5.716  -4.346
  548   2HG2  VAL  55          2HG2      VAL  55   1.898   5.644  -2.625
  549   3HG2  VAL  55          1HG2      VAL  55   3.179   5.926  -3.802
  550    QG1  VAL  55           QG1      VAL  55   3.804   3.379  -2.486
  551    QG2  VAL  55           QG2      VAL  55   2.197   5.762  -3.591
  552    QQG  VAL  55           QQG      VAL  55   3.001   4.571  -3.038
  553    H    THR  56           H        THR  56   3.073   4.618  -7.440
  554    HA   THR  56           HA       THR  56   5.893   5.443  -7.221
  555    HB   THR  56           HB       THR  56   3.704   5.302  -9.279
  556    HG1  THR  56          1HG       THR  56   5.142   4.013 -10.254
  557   1HG2  THR  56          3HG2      THR  56   6.218   6.964  -9.616
  558   2HG2  THR  56          2HG2      THR  56   5.158   6.473 -10.936
  559   3HG2  THR  56          1HG2      THR  56   4.554   7.549  -9.675
  560    QG2  THR  56           QG2      THR  56   5.310   6.995 -10.076
  561    H    GLU  57           H        GLU  57   6.341   7.842  -7.836
  562    HA   GLU  57           HA       GLU  57   4.271   9.641  -6.615
  563   1HB   GLU  57          2HB       GLU  57   7.245   9.371  -6.174
  564   2HB   GLU  57          1HB       GLU  57   6.413  10.879  -5.800
  565   1HG   GLU  57          2HG       GLU  57   6.008   9.926  -3.778
  566   2HG   GLU  57          1HG       GLU  57   4.753   9.024  -4.627
  567    QB   GLU  57           QB       GLU  57   6.829  10.125  -5.987
  568    QG   GLU  57           QG       GLU  57   5.381   9.475  -4.202
   
  No H/Q in entry =         568
  Start of MODEL   24
    1   1H    MET   1          2HT       MET   1  -3.950 -15.335   6.767
    2   2H    MET   1          1HT       MET   1  -3.260 -15.853   8.230
    3   3H    MET   1          3HT       MET   1  -3.625 -14.212   8.000
    4    HA   MET   1           HA       MET   1  -1.271 -14.465   7.729
    5   1HB   MET   1          2HB       MET   1  -1.889 -16.994   7.173
    6   2HB   MET   1          1HB       MET   1  -1.763 -16.420   5.510
    7   1HG   MET   1          2HG       MET   1   0.494 -15.387   6.253
    8   2HG   MET   1          1HG       MET   1   0.364 -16.458   7.649
    9   1HE   MET   1          3HE       MET   1   2.584 -17.237   6.989
   10   2HE   MET   1          2HE       MET   1   1.729 -18.680   7.527
   11   3HE   MET   1          1HE       MET   1   2.763 -18.757   6.102
   12    QB   MET   1           QB       MET   1  -1.826 -16.707   6.341
   13    QG   MET   1           QG       MET   1   0.429 -15.922   6.951
   14    QE   MET   1           QE       MET   1   2.358 -18.225   6.873
   15    H    THR   2           H        THR   2  -2.509 -12.373   6.943
   16    HA   THR   2           HA       THR   2  -2.513 -12.180   3.963
   17    HB   THR   2           HB       THR   2  -3.635 -10.405   6.159
   18    HG1  THR   2          1HG       THR   2  -4.699 -12.395   5.880
   19   1HG2  THR   2          1HG2      THR   2  -3.396 -10.120   3.208
   20   2HG2  THR   2          3HG2      THR   2  -4.939  -9.658   3.927
   21   3HG2  THR   2          2HG2      THR   2  -3.450  -8.873   4.454
   22    QG2  THR   2           QG2      THR   2  -3.928  -9.550   3.863
   23    H    THR   3           H        THR   3  -1.908  -9.553   6.297
   24    HA   THR   3           HA       THR   3  -0.176  -7.951   6.357
   25    HB   THR   3           HB       THR   3   1.419 -10.445   5.699
   26    HG1  THR   3          1HG       THR   3   0.866 -11.074   7.604
   27   1HG2  THR   3          3HG2      THR   3   2.175  -7.711   6.249
   28   2HG2  THR   3          2HG2      THR   3   2.732  -8.758   7.555
   29   3HG2  THR   3          1HG2      THR   3   3.208  -9.097   5.892
   30    QG2  THR   3           QG2      THR   3   2.705  -8.522   6.565
   31    H    PHE   4           H        PHE   4  -0.771  -6.756   4.444
   32    HA   PHE   4           HA       PHE   4   0.367  -7.568   1.840
   33   1HB   PHE   4          2HB       PHE   4  -1.528  -5.522   2.929
   34   2HB   PHE   4          1HB       PHE   4  -0.783  -5.215   1.359
   35    HD1  PHE   4          2HD       PHE   4  -0.966  -6.989  -0.449
   36    HD2  PHE   4          1HD       PHE   4  -3.297  -7.088   3.156
   37    HE1  PHE   4          2HE       PHE   4  -2.540  -8.579  -1.512
   38    HE2  PHE   4          1HE       PHE   4  -4.873  -8.678   2.090
   39   1HZ   PHE   4           HZ       PHE   4  -4.495  -9.424  -0.244
   40    QB   PHE   4           QB       PHE   4  -1.155  -5.369   2.144
   41    QG   PHE   4           QD       PHE   4  -2.131  -7.038   1.353
   42    QZ   PHE   4           QE       PHE   4  -3.707  -8.628   0.289
   43    QZ   PHE   4           QR       PHE   4  -3.234  -8.152   0.608
   44    H    LYS   5           H        LYS   5   2.149  -6.580   0.898
   45    HA   LYS   5           HA       LYS   5   3.690  -4.687   2.612
   46   1HB   LYS   5          2HB       LYS   5   4.424  -6.258   0.108
   47   2HB   LYS   5          1HB       LYS   5   5.552  -5.365   1.129
   48   1HG   LYS   5          2HG       LYS   5   4.556  -6.872   3.046
   49   2HG   LYS   5          1HG       LYS   5   4.092  -7.923   1.709
   50   1HD   LYS   5          2HD       LYS   5   6.628  -7.435   0.977
   51   2HD   LYS   5          1HD       LYS   5   6.808  -7.238   2.720
   52   1HE   LYS   5          2HE       LYS   5   6.236  -9.460   3.167
   53   2HE   LYS   5          1HE       LYS   5   5.324  -9.631   1.654
   54   1HZ   LYS   5          1HZ       LYS   5   7.432  -9.325   0.444
   55   2HZ   LYS   5          3HZ       LYS   5   8.268  -9.324   1.919
   56   3HZ   LYS   5          2HZ       LYS   5   7.441 -10.720   1.414
   57    QB   LYS   5           QB       LYS   5   4.988  -5.811   0.618
   58    QG   LYS   5           QG       LYS   5   4.324  -7.397   2.377
   59    QD   LYS   5           QD       LYS   5   6.718  -7.337   1.848
   60    QE   LYS   5           QE       LYS   5   5.780  -9.546   2.410
   61    QZ   LYS   5           QZ       LYS   5   7.714  -9.790   1.259
   62    H    LEU   6           H        LEU   6   5.136  -3.222   0.867
   63    HA   LEU   6           HA       LEU   6   3.470  -2.184  -1.331
   64   1HB   LEU   6          2HB       LEU   6   2.437  -1.165   0.625
   65   2HB   LEU   6          1HB       LEU   6   4.008  -0.647   1.233
   66    HG   LEU   6           HG       LEU   6   4.182   0.637  -1.048
   67   1HD1  LEU   6          1HD1      LEU   6   1.273  -0.103  -0.860
   68   2HD1  LEU   6          3HD1      LEU   6   1.759   1.411  -1.623
   69   3HD1  LEU   6          2HD1      LEU   6   2.334  -0.126  -2.268
   70   1HD2  LEU   6          3HD2      LEU   6   3.557   1.392   1.479
   71   2HD2  LEU   6          2HD2      LEU   6   3.638   2.523   0.129
   72   3HD2  LEU   6          1HD2      LEU   6   2.080   1.877   0.645
   73    QB   LEU   6           QB       LEU   6   3.222  -0.906   0.929
   74    QD1  LEU   6           QD1      LEU   6   1.789   0.394  -1.584
   75    QD2  LEU   6           QD2      LEU   6   3.092   1.931   0.751
   76    QQD  LEU   6           QQD      LEU   6   2.440   1.163  -0.416
   77    H    ILE   7           H        ILE   7   5.159  -2.248  -2.801
   78    HA   ILE   7           HA       ILE   7   7.857  -1.321  -2.047
   79    HB   ILE   7           HB       ILE   7   6.645  -2.221  -4.688
   80   1HG1  ILE   7          2HG1      ILE   7   8.536  -3.917  -3.125
   81   2HG1  ILE   7          1HG1      ILE   7   6.888  -3.790  -2.509
   82   1HG2  ILE   7          2HG2      ILE   7   9.349  -1.330  -3.827
   83   2HG2  ILE   7          1HG2      ILE   7   9.293  -2.761  -4.862
   84   3HG2  ILE   7          3HG2      ILE   7   8.583  -1.243  -5.415
   85   1HD1  ILE   7          1HD1      ILE   7   6.096  -4.342  -4.866
   86   2HD1  ILE   7          3HD1      ILE   7   7.770  -4.753  -5.238
   87   3HD1  ILE   7          2HD1      ILE   7   6.893  -5.658  -4.004
   88    QG1  ILE   7           QG1      ILE   7   7.712  -3.854  -2.817
   89    QG2  ILE   7           QG2      ILE   7   9.075  -1.778  -4.701
   90    QD1  ILE   7           QD1      ILE   7   6.920  -4.918  -4.703
   91    H    ILE   8           H        ILE   8   8.512   0.789  -2.395
   92    HA   ILE   8           HA       ILE   8   6.551   2.572  -3.714
   93    HB   ILE   8           HB       ILE   8   9.130   3.383  -2.380
   94   1HG1  ILE   8          2HG1      ILE   8   7.844   1.895  -0.835
   95   2HG1  ILE   8          1HG1      ILE   8   7.907   3.555  -0.259
   96   1HG2  ILE   8          3HG2      ILE   8   6.620   4.667  -3.323
   97   2HG2  ILE   8          2HG2      ILE   8   7.279   5.259  -1.813
   98   3HG2  ILE   8          1HG2      ILE   8   8.263   5.308  -3.267
   99   1HD1  ILE   8          3HD1      ILE   8   5.594   2.362  -1.811
  100   2HD1  ILE   8          2HD1      ILE   8   5.633   2.539  -0.057
  101   3HD1  ILE   8          1HD1      ILE   8   5.653   3.972  -1.087
  102    QG1  ILE   8           QG1      ILE   8   7.875   2.725  -0.547
  103    QG2  ILE   8           QG2      ILE   8   7.387   5.078  -2.801
  104    QD1  ILE   8           QD1      ILE   8   5.627   2.958  -0.985
  105    H    ASN   9           H        ASN   9   6.813   2.845  -5.882
  106    HA   ASN   9           HA       ASN   9   9.283   2.328  -7.295
  107   1HB   ASN   9          2HB       ASN   9   7.039   2.051  -8.269
  108   2HB   ASN   9          1HB       ASN   9   6.729   3.770  -8.051
  109   1HD2  ASN   9          2HD2      ASN   9   7.897   4.290 -11.339
  110   2HD2  ASN   9          1HD2      ASN   9   6.626   4.484 -10.228
  111    QB   ASN   9           QB       ASN   9   6.884   2.910  -8.160
  112    QD2  ASN   9           QD2      ASN   9   7.262   4.387 -10.783
  113    H    GLY  10           H        GLY  10   7.901   5.123  -5.773
  114   1HA   GLY  10          2HA       GLY  10   9.401   7.134  -7.194
  115   2HA   GLY  10          1HA       GLY  10   8.599   7.362  -5.640
  116    QA   GLY  10           QA       GLY  10   9.000   7.248  -6.417
  117    H    LYS  11           H        LYS  11  11.305   8.211  -6.521
  118    HA   LYS  11           HA       LYS  11  13.333   6.580  -5.291
  119   1HB   LYS  11          2HB       LYS  11  14.665   8.678  -5.498
  120   2HB   LYS  11          1HB       LYS  11  13.768   8.318  -6.972
  121   1HG   LYS  11          2HG       LYS  11  11.951   9.829  -5.545
  122   2HG   LYS  11          1HG       LYS  11  13.483  10.581  -5.107
  123   1HD   LYS  11          2HD       LYS  11  13.363   9.989  -7.965
  124   2HD   LYS  11          1HD       LYS  11  12.027  11.023  -7.460
  125   1HE   LYS  11          2HE       LYS  11  13.957  12.316  -6.155
  126   2HE   LYS  11          1HE       LYS  11  14.970  11.583  -7.416
  127   1HZ   LYS  11          2HZ       LYS  11  12.422  13.006  -7.964
  128   2HZ   LYS  11          1HZ       LYS  11  13.950  13.742  -8.072
  129   3HZ   LYS  11          3HZ       LYS  11  13.556  12.454  -9.103
  130    QB   LYS  11           QB       LYS  11  14.216   8.498  -6.235
  131    QG   LYS  11           QG       LYS  11  12.717  10.205  -5.326
  132    QD   LYS  11           QD       LYS  11  12.695  10.506  -7.713
  133    QE   LYS  11           QE       LYS  11  14.463  11.949  -6.786
  134    QZ   LYS  11           QZ       LYS  11  13.309  13.068  -8.380
  135    H    THR  12           H        THR  12  11.047   8.906  -4.000
  136    HA   THR  12           HA       THR  12  12.487   9.229  -1.450
  137    HB   THR  12           HB       THR  12   9.675  10.061  -2.195
  138    HG1  THR  12          1HG       THR  12  10.509  11.733  -3.260
  139   1HG2  THR  12          2HG2      THR  12  11.674  10.773  -0.096
  140   2HG2  THR  12          1HG2      THR  12  10.648  12.064  -0.720
  141   3HG2  THR  12          3HG2      THR  12   9.919  10.640   0.022
  142    QG2  THR  12           QG2      THR  12  10.747  11.159  -0.264
  143    H    LEU  13           H        LEU  13  11.290   8.786   0.601
  144    HA   LEU  13           HA       LEU  13  10.528   7.114   2.073
  145   1HB   LEU  13          2HB       LEU  13   8.169   7.067   1.976
  146   2HB   LEU  13          1HB       LEU  13   8.575   8.547   1.124
  147    HG   LEU  13           HG       LEU  13   8.460   6.235  -0.657
  148   1HD1  LEU  13          2HD1      LEU  13   5.985   7.018   0.899
  149   2HD1  LEU  13          1HD1      LEU  13   5.964   6.047  -0.574
  150   3HD1  LEU  13          3HD1      LEU  13   6.754   5.432   0.877
  151   1HD2  LEU  13          3HD2      LEU  13   7.331   9.009  -0.529
  152   2HD2  LEU  13          2HD2      LEU  13   8.438   8.325  -1.710
  153   3HD2  LEU  13          1HD2      LEU  13   6.742   7.866  -1.732
  154    QB   LEU  13           QB       LEU  13   8.372   7.807   1.550
  155    QD1  LEU  13           QD1      LEU  13   6.235   6.166   0.401
  156    QD2  LEU  13           QD2      LEU  13   7.504   8.400  -1.323
  157    QQD  LEU  13           QQD      LEU  13   6.869   7.283  -0.461
  158    H    LYS  14           H        LYS  14  12.047   5.990  -0.318
  159    HA   LYS  14           HA       LYS  14  10.919   3.699  -1.449
  160   1HB   LYS  14          2HB       LYS  14  13.625   4.663  -0.697
  161   2HB   LYS  14          1HB       LYS  14  13.492   2.944  -1.071
  162   1HG   LYS  14          2HG       LYS  14  12.312   5.048  -2.887
  163   2HG   LYS  14          1HG       LYS  14  13.992   4.534  -3.038
  164   1HD   LYS  14          2HD       LYS  14  13.146   2.149  -3.178
  165   2HD   LYS  14          1HD       LYS  14  11.515   2.810  -3.296
  166   1HE   LYS  14          2HE       LYS  14  11.929   2.831  -5.548
  167   2HE   LYS  14          1HE       LYS  14  12.875   4.291  -5.196
  168   1HZ   LYS  14          1HZ       LYS  14  13.953   1.531  -4.994
  169   2HZ   LYS  14          3HZ       LYS  14  14.157   2.519  -6.359
  170   3HZ   LYS  14          2HZ       LYS  14  14.824   2.985  -4.867
  171    QB   LYS  14           QB       LYS  14  13.559   3.803  -0.884
  172    QG   LYS  14           QG       LYS  14  13.152   4.791  -2.963
  173    QD   LYS  14           QD       LYS  14  12.330   2.479  -3.237
  174    QE   LYS  14           QE       LYS  14  12.402   3.561  -5.372
  175    QZ   LYS  14           QZ       LYS  14  14.311   2.345  -5.406
  176    H    GLY  15           H        GLY  15  10.363   1.653  -0.683
  177   1HA   GLY  15          2HA       GLY  15  11.599   0.228   1.384
  178   2HA   GLY  15          1HA       GLY  15  10.361   1.192   2.181
  179    QA   GLY  15           QA       GLY  15  10.980   0.710   1.783
  180    H    GLU  16           H        GLU  16  10.023  -1.382   2.473
  181    HA   GLU  16           HA       GLU  16   7.706  -2.091   0.714
  182   1HB   GLU  16          2HB       GLU  16  10.313  -3.443   1.125
  183   2HB   GLU  16          1HB       GLU  16   8.905  -4.499   1.233
  184   1HG   GLU  16          2HG       GLU  16   8.120  -3.640  -0.962
  185   2HG   GLU  16          1HG       GLU  16   9.580  -2.656  -1.079
  186    QB   GLU  16           QB       GLU  16   9.609  -3.971   1.179
  187    QG   GLU  16           QG       GLU  16   8.850  -3.148  -1.020
  188    H    ILE  17           H        ILE  17   7.662  -0.933   3.330
  189    HA   ILE  17           HA       ILE  17   7.605  -2.610   5.567
  190    HB   ILE  17           HB       ILE  17   5.917  -0.985   6.419
  191   1HG1  ILE  17          2HG1      ILE  17   5.967   0.282   3.678
  192   2HG1  ILE  17          1HG1      ILE  17   4.750  -0.922   4.097
  193   1HG2  ILE  17          3HG2      ILE  17   8.454  -0.495   6.001
  194   2HG2  ILE  17          2HG2      ILE  17   7.860   0.556   4.714
  195   3HG2  ILE  17          1HG2      ILE  17   7.376   0.848   6.384
  196   1HD1  ILE  17          2HD1      ILE  17   5.281   1.548   5.765
  197   2HD1  ILE  17          1HD1      ILE  17   4.046   1.477   4.508
  198   3HD1  ILE  17          3HD1      ILE  17   3.931   0.423   5.918
  199    QG1  ILE  17           QG1      ILE  17   5.359  -0.320   3.888
  200    QG2  ILE  17           QG2      ILE  17   7.897   0.303   5.700
  201    QD1  ILE  17           QD1      ILE  17   4.419   1.149   5.397
  202    H    THR  18           H        THR  18   6.017  -3.948   6.531
  203    HA   THR  18           HA       THR  18   3.898  -4.952   4.663
  204    HB   THR  18           HB       THR  18   4.161  -7.053   5.942
  205    HG1  THR  18          1HG       THR  18   5.180  -7.057   7.772
  206   1HG2  THR  18          2HG2      THR  18   5.972  -5.990   4.149
  207   2HG2  THR  18          1HG2      THR  18   7.003  -6.468   5.498
  208   3HG2  THR  18          3HG2      THR  18   5.965  -7.660   4.716
  209    QG2  THR  18           QG2      THR  18   6.313  -6.706   4.788
  210    H    ILE  19           H        ILE  19   1.767  -5.022   5.410
  211    HA   ILE  19           HA       ILE  19   1.267  -4.296   8.274
  212    HB   ILE  19           HB       ILE  19  -0.416  -2.649   7.520
  213   1HG1  ILE  19          2HG1      ILE  19   0.028  -2.079   4.914
  214   2HG1  ILE  19          1HG1      ILE  19   0.283  -3.821   4.875
  215   1HG2  ILE  19          2HG2      ILE  19   1.971  -1.987   7.888
  216   2HG2  ILE  19          1HG2      ILE  19   2.257  -2.201   6.161
  217   3HG2  ILE  19          3HG2      ILE  19   1.136  -0.961   6.722
  218   1HD1  ILE  19          1HD1      ILE  19  -1.959  -3.789   6.340
  219   2HD1  ILE  19          3HD1      ILE  19  -2.201  -2.280   5.459
  220   3HD1  ILE  19          2HD1      ILE  19  -2.002  -3.794   4.575
  221    QG1  ILE  19           QG1      ILE  19   0.156  -2.950   4.895
  222    QG2  ILE  19           QG2      ILE  19   1.788  -1.716   6.923
  223    QD1  ILE  19           QD1      ILE  19  -2.054  -3.288   5.458
  224    H    GLU  20           H        GLU  20  -0.364  -5.484   9.181
  225    HA   GLU  20           HA       GLU  20  -1.616  -7.641   7.674
  226   1HB   GLU  20          2HB       GLU  20  -1.461  -6.613  10.456
  227   2HB   GLU  20          1HB       GLU  20  -2.902  -7.553  10.069
  228   1HG   GLU  20          2HG       GLU  20  -1.514  -9.297  10.629
  229   2HG   GLU  20          1HG       GLU  20  -1.055  -9.143   8.933
  230    QB   GLU  20           QB       GLU  20  -2.181  -7.083  10.262
  231    QG   GLU  20           QG       GLU  20  -1.284  -9.220   9.781
  232    H    ALA  21           H        ALA  21  -3.709  -7.709   6.861
  233    HA   ALA  21           HA       ALA  21  -5.675  -5.620   7.586
  234   1HB   ALA  21          1HB       ALA  21  -4.112  -5.773   5.046
  235   2HB   ALA  21          3HB       ALA  21  -5.815  -5.330   4.919
  236   3HB   ALA  21          2HB       ALA  21  -4.721  -4.356   5.902
  237    QB   ALA  21           QB       ALA  21  -4.882  -5.153   5.289
  238    H    VAL  22           H        VAL  22  -7.822  -6.164   6.809
  239    HA   VAL  22           HA       VAL  22  -8.561  -8.872   6.859
  240    HB   VAL  22           HB       VAL  22 -10.065  -6.963   7.238
  241   1HG1  VAL  22          3HG1      VAL  22  -8.959  -5.667   5.256
  242   2HG1  VAL  22          2HG1      VAL  22 -10.163  -6.489   4.267
  243   3HG1  VAL  22          1HG1      VAL  22 -10.677  -5.424   5.574
  244   1HG2  VAL  22          2HG2      VAL  22 -10.991  -9.174   6.477
  245   2HG2  VAL  22          1HG2      VAL  22 -12.011  -7.800   6.052
  246   3HG2  VAL  22          3HG2      VAL  22 -10.991  -8.553   4.826
  247    QG1  VAL  22           QG1      VAL  22  -9.933  -5.860   5.032
  248    QG2  VAL  22           QG2      VAL  22 -11.331  -8.509   5.785
  249    QQG  VAL  22           QQG      VAL  22 -10.632  -7.185   5.409
  250    H    ASP  23           H        ASP  23  -7.840  -6.797   4.066
  251    HA   ASP  23           HA       ASP  23  -7.189  -9.137   2.415
  252   1HB   ASP  23          2HB       ASP  23  -8.917  -8.530   0.696
  253   2HB   ASP  23          1HB       ASP  23  -9.625  -9.070   2.216
  254    QB   ASP  23           QB       ASP  23  -9.271  -8.800   1.456
  255    H    ALA  24           H        ALA  24  -6.773  -8.154   0.016
  256    HA   ALA  24           HA       ALA  24  -4.685  -6.207   0.294
  257   1HB   ALA  24          1HB       ALA  24  -5.399  -8.018  -1.566
  258   2HB   ALA  24          3HB       ALA  24  -6.079  -6.575  -2.320
  259   3HB   ALA  24          2HB       ALA  24  -4.356  -6.646  -1.944
  260    QB   ALA  24           QB       ALA  24  -5.278  -7.080  -1.943
  261    H    ALA  25           H        ALA  25  -8.124  -5.940  -0.453
  262    HA   ALA  25           HA       ALA  25  -8.285  -3.347  -1.524
  263   1HB   ALA  25          1HB       ALA  25 -10.017  -5.300  -0.781
  264   2HB   ALA  25          3HB       ALA  25 -10.298  -4.135   0.513
  265   3HB   ALA  25          2HB       ALA  25 -10.534  -3.659  -1.169
  266    QB   ALA  25           QB       ALA  25 -10.283  -4.364  -0.479
  267    H    GLU  26           H        GLU  26  -8.652  -4.239   1.925
  268    HA   GLU  26           HA       GLU  26  -8.608  -1.586   2.978
  269   1HB   GLU  26          2HB       GLU  26  -8.340  -4.378   3.893
  270   2HB   GLU  26          1HB       GLU  26  -7.508  -3.216   4.927
  271   1HG   GLU  26          2HG       GLU  26 -10.406  -2.980   4.060
  272   2HG   GLU  26          1HG       GLU  26  -9.874  -3.586   5.629
  273    QB   GLU  26           QB       GLU  26  -7.924  -3.797   4.410
  274    QG   GLU  26           QG       GLU  26 -10.140  -3.283   4.844
  275    H    ALA  27           H        ALA  27  -5.973  -3.911   2.358
  276    HA   ALA  27           HA       ALA  27  -3.803  -2.470   3.492
  277   1HB   ALA  27          1HB       ALA  27  -4.189  -4.444   1.267
  278   2HB   ALA  27          3HB       ALA  27  -2.611  -3.667   1.430
  279   3HB   ALA  27          2HB       ALA  27  -3.275  -4.614   2.767
  280    QB   ALA  27           QB       ALA  27  -3.358  -4.242   1.821
  281    H    GLU  28           H        GLU  28  -5.293  -2.213   0.258
  282    HA   GLU  28           HA       GLU  28  -3.483  -0.305  -0.854
  283   1HB   GLU  28          2HB       GLU  28  -5.493  -1.729  -1.826
  284   2HB   GLU  28          1HB       GLU  28  -6.427  -0.281  -1.456
  285   1HG   GLU  28          2HG       GLU  28  -4.817   1.075  -2.780
  286   2HG   GLU  28          1HG       GLU  28  -3.939  -0.398  -3.202
  287    QB   GLU  28           QB       GLU  28  -5.960  -1.005  -1.641
  288    QG   GLU  28           QG       GLU  28  -4.378   0.338  -2.991
  289    H    LYS  29           H        LYS  29  -6.582   0.189   0.933
  290    HA   LYS  29           HA       LYS  29  -6.539   3.045   0.893
  291   1HB   LYS  29          2HB       LYS  29  -7.729   0.896   2.625
  292   2HB   LYS  29          1HB       LYS  29  -7.914   2.591   3.078
  293   1HG   LYS  29          2HG       LYS  29  -9.722   2.542   1.704
  294   2HG   LYS  29          1HG       LYS  29  -8.528   2.683   0.417
  295   1HD   LYS  29          2HD       LYS  29  -8.851  -0.083   1.296
  296   2HD   LYS  29          1HD       LYS  29 -10.370   0.610   0.728
  297   1HE   LYS  29          2HE       LYS  29  -7.833   0.977  -0.869
  298   2HE   LYS  29          1HE       LYS  29  -8.829  -0.481  -1.060
  299   1HZ   LYS  29          3HZ       LYS  29  -9.831   2.311  -1.230
  300   2HZ   LYS  29          2HZ       LYS  29  -9.539   1.300  -2.564
  301   3HZ   LYS  29          1HZ       LYS  29 -10.755   0.905  -1.445
  302    QB   LYS  29           QB       LYS  29  -7.821   1.744   2.852
  303    QG   LYS  29           QG       LYS  29  -9.125   2.613   1.061
  304    QD   LYS  29           QD       LYS  29  -9.611   0.263   1.012
  305    QE   LYS  29           QE       LYS  29  -8.331   0.248  -0.965
  306    QZ   LYS  29           QZ       LYS  29 -10.042   1.505  -1.746
  307    H    ILE  30           H        ILE  30  -5.411   0.766   3.422
  308    HA   ILE  30           HA       ILE  30  -4.336   2.659   5.247
  309    HB   ILE  30           HB       ILE  30  -3.453  -0.163   4.526
  310   1HG1  ILE  30          2HG1      ILE  30  -5.161   0.685   6.867
  311   2HG1  ILE  30          1HG1      ILE  30  -5.885   0.350   5.296
  312   1HG2  ILE  30          2HG2      ILE  30  -2.583   1.757   6.627
  313   2HG2  ILE  30          1HG2      ILE  30  -2.874   0.101   7.160
  314   3HG2  ILE  30          3HG2      ILE  30  -1.698   0.424   5.885
  315   1HD1  ILE  30          1HD1      ILE  30  -3.998  -1.739   6.048
  316   2HD1  ILE  30          3HD1      ILE  30  -5.252  -1.535   7.270
  317   3HD1  ILE  30          2HD1      ILE  30  -5.697  -1.878   5.599
  318    QG1  ILE  30           QG1      ILE  30  -5.523   0.517   6.082
  319    QG2  ILE  30           QG2      ILE  30  -2.385   0.761   6.557
  320    QD1  ILE  30           QD1      ILE  30  -4.982  -1.718   6.306
  321    H    PHE  31           H        PHE  31  -2.777   0.978   2.513
  322    HA   PHE  31           HA       PHE  31  -0.204   2.268   2.808
  323   1HB   PHE  31          2HB       PHE  31  -1.686   0.659   0.745
  324   2HB   PHE  31          1HB       PHE  31  -0.194   1.472   0.267
  325    HD1  PHE  31          1HD       PHE  31   1.579   1.300   2.483
  326    HD2  PHE  31          2HD       PHE  31  -1.301  -1.599   1.156
  327    HE1  PHE  31          1HE       PHE  31   2.903  -0.502   3.551
  328    HE2  PHE  31          2HE       PHE  31   0.028  -3.403   2.225
  329   1HZ   PHE  31           HZ       PHE  31   2.129  -2.854   3.422
  330    QB   PHE  31           QB       PHE  31  -0.940   1.065   0.506
  331    QG   PHE  31           QD       PHE  31   0.139  -0.150   1.820
  332    QZ   PHE  31           QE       PHE  31   1.465  -1.952   2.888
  333    QZ   PHE  31           QR       PHE  31   1.067  -1.411   2.568
  334    H    LYS  32           H        LYS  32  -3.135   2.953   0.956
  335    HA   LYS  32           HA       LYS  32  -2.058   5.218  -0.474
  336   1HB   LYS  32          2HB       LYS  32  -4.796   4.060   0.012
  337   2HB   LYS  32          1HB       LYS  32  -4.567   5.526  -0.937
  338   1HG   LYS  32          2HG       LYS  32  -2.738   3.357  -1.714
  339   2HG   LYS  32          1HG       LYS  32  -4.439   2.946  -1.934
  340   1HD   LYS  32          2HD       LYS  32  -3.109   5.457  -2.999
  341   2HD   LYS  32          1HD       LYS  32  -3.487   4.025  -3.955
  342   1HE   LYS  32          2HE       LYS  32  -5.922   4.496  -2.832
  343   2HE   LYS  32          1HE       LYS  32  -5.300   6.153  -2.971
  344   1HZ   LYS  32          1HZ       LYS  32  -4.697   5.704  -5.265
  345   2HZ   LYS  32          3HZ       LYS  32  -5.294   4.121  -5.142
  346   3HZ   LYS  32          2HZ       LYS  32  -6.361   5.440  -5.035
  347    QB   LYS  32           QB       LYS  32  -4.682   4.793  -0.462
  348    QG   LYS  32           QG       LYS  32  -3.588   3.151  -1.824
  349    QD   LYS  32           QD       LYS  32  -3.298   4.741  -3.477
  350    QE   LYS  32           QE       LYS  32  -5.611   5.325  -2.901
  351    QZ   LYS  32           QZ       LYS  32  -5.451   5.088  -5.147
  352    H    GLN  33           H        GLN  33  -2.688   4.923   2.785
  353    HA   GLN  33           HA       GLN  33  -3.687   7.754   3.046
  354   1HB   GLN  33          2HB       GLN  33  -4.951   5.867   4.166
  355   2HB   GLN  33          1HB       GLN  33  -3.491   5.493   5.082
  356   1HG   GLN  33          2HG       GLN  33  -4.711   6.882   6.546
  357   2HG   GLN  33          1HG       GLN  33  -3.557   7.987   5.797
  358   1HE2  GLN  33          1HE2      GLN  33  -6.847   7.596   6.479
  359   2HE2  GLN  33          2HE2      GLN  33  -7.471   8.703   5.354
  360    QB   GLN  33           QB       GLN  33  -4.221   5.680   4.624
  361    QG   GLN  33           QG       GLN  33  -4.134   7.435   6.172
  362    QE2  GLN  33           QE2      GLN  33  -7.159   8.150   5.916
  363    H    TYR  34           H        TYR  34  -1.438   5.321   4.138
  364    HA   TYR  34           HA       TYR  34   0.442   6.704   5.695
  365   1HB   TYR  34          2HB       TYR  34   0.497   4.350   5.454
  366   2HB   TYR  34          1HB       TYR  34   0.346   4.442   3.697
  367    HD1  TYR  34          2HD       TYR  34   2.390   5.225   2.351
  368    HD2  TYR  34          1HD       TYR  34   2.612   4.295   6.543
  369    HE1  TYR  34          2HE       TYR  34   4.854   5.033   2.179
  370    HE2  TYR  34          1HE       TYR  34   5.079   4.104   6.366
  371    HH   TYR  34           HH       TYR  34   6.882   4.856   4.942
  372    QB   TYR  34           QB       TYR  34   0.421   4.396   4.576
  373    QG   TYR  34           QD       TYR  34   2.501   4.760   4.447
  374    QZ   TYR  34           QE       TYR  34   4.966   4.568   4.273
  375    QR   TYR  34           QR       TYR  34   3.734   4.664   4.360
  376    H    ALA  35           H        ALA  35   0.083   6.481   2.170
  377    HA   ALA  35           HA       ALA  35   2.478   7.857   1.368
  378   1HB   ALA  35          2HB       ALA  35  -0.205   7.173   0.210
  379   2HB   ALA  35          1HB       ALA  35   0.810   8.331  -0.654
  380   3HB   ALA  35          3HB       ALA  35   1.404   6.696  -0.343
  381    QB   ALA  35           QB       ALA  35   0.670   7.400  -0.262
  382    H    ASN  36           H        ASN  36  -0.885   9.019   1.780
  383    HA   ASN  36           HA       ASN  36  -0.425  11.764   1.173
  384   1HB   ASN  36          2HB       ASN  36  -2.418  10.247   2.856
  385   2HB   ASN  36          1HB       ASN  36  -2.524  11.998   2.662
  386   1HD2  ASN  36          2HD2      ASN  36  -3.413   9.562  -0.508
  387   2HD2  ASN  36          1HD2      ASN  36  -2.654   8.917   0.867
  388    QB   ASN  36           QB       ASN  36  -2.471  11.123   2.759
  389    QD2  ASN  36           QD2      ASN  36  -3.033   9.240   0.179
  390    H    ASP  37           H        ASP  37  -0.417  10.083   4.332
  391    HA   ASP  37           HA       ASP  37   0.086  12.302   6.009
  392   1HB   ASP  37          2HB       ASP  37  -0.274   9.640   6.315
  393   2HB   ASP  37          1HB       ASP  37   1.464   9.738   6.600
  394    QB   ASP  37           QB       ASP  37   0.595   9.689   6.457
  395    H    ASN  38           H        ASN  38   2.218  10.688   3.810
  396    HA   ASN  38           HA       ASN  38   4.584  12.045   4.931
  397   1HB   ASN  38          2HB       ASN  38   4.021   9.639   3.263
  398   2HB   ASN  38          1HB       ASN  38   5.572  10.444   3.030
  399   1HD2  ASN  38          2HD2      ASN  38   5.013   8.160   6.301
  400   2HD2  ASN  38          1HD2      ASN  38   3.879   8.235   5.040
  401    QB   ASN  38           QB       ASN  38   4.797  10.041   3.146
  402    QD2  ASN  38           QD2      ASN  38   4.446   8.197   5.670
  403    H    GLY  39           H        GLY  39   2.430  12.007   2.178
  404   1HA   GLY  39          2HA       GLY  39   2.248  13.984   0.745
  405   2HA   GLY  39          1HA       GLY  39   3.975  14.261   0.983
  406    QA   GLY  39           QA       GLY  39   3.112  14.123   0.864
  407    H    ILE  40           H        ILE  40   2.270  11.250   0.155
  408    HA   ILE  40           HA       ILE  40   4.072  10.971  -2.206
  409    HB   ILE  40           HB       ILE  40   2.739   9.227  -0.200
  410   1HG1  ILE  40          2HG1      ILE  40   4.931   8.035  -0.458
  411   2HG1  ILE  40          1HG1      ILE  40   5.384   9.272  -1.630
  412   1HG2  ILE  40          1HG2      ILE  40   1.848   8.326  -2.360
  413   2HG2  ILE  40          3HG2      ILE  40   3.514   8.122  -2.910
  414   3HG2  ILE  40          2HG2      ILE  40   2.921   7.207  -1.521
  415   1HD1  ILE  40          3HD1      ILE  40   4.394  10.009   1.113
  416   2HD1  ILE  40          2HD1      ILE  40   6.104   9.647   0.825
  417   3HD1  ILE  40          1HD1      ILE  40   5.319  10.989  -0.028
  418    QG1  ILE  40           QG1      ILE  40   5.158   8.653  -1.044
  419    QG2  ILE  40           QG2      ILE  40   2.761   7.885  -2.264
  420    QD1  ILE  40           QD1      ILE  40   5.272  10.215   0.637
  421    H    ASP  41           H        ASP  41   3.222  10.936  -4.225
  422    HA   ASP  41           HA       ASP  41   0.431  10.283  -4.794
  423   1HB   ASP  41          2HB       ASP  41   0.572  12.661  -3.743
  424   2HB   ASP  41          1HB       ASP  41   1.240  13.142  -5.303
  425    QB   ASP  41           QB       ASP  41   0.906  12.902  -4.523
  426    H    GLY  42           H        GLY  42   1.246   8.940  -6.449
  427   1HA   GLY  42          2HA       GLY  42   2.090  10.344  -8.906
  428   2HA   GLY  42          1HA       GLY  42   3.199   9.119  -8.292
  429    QA   GLY  42           QA       GLY  42   2.644   9.731  -8.599
  430    H    GLU  43           H        GLU  43   1.974   6.965  -7.704
  431    HA   GLU  43           HA       GLU  43  -0.324   6.375  -9.480
  432   1HB   GLU  43          2HB       GLU  43   2.504   5.376  -9.852
  433   2HB   GLU  43          1HB       GLU  43   1.126   4.465 -10.471
  434   1HG   GLU  43          2HG       GLU  43   0.460   6.886 -11.418
  435   2HG   GLU  43          1HG       GLU  43   2.212   7.094 -11.361
  436    QB   GLU  43           QB       GLU  43   1.815   4.920 -10.162
  437    QG   GLU  43           QG       GLU  43   1.336   6.990 -11.389
  438    H    TRP  44           H        TRP  44  -0.851   3.912  -9.237
  439    HA   TRP  44           HA       TRP  44   0.092   2.649  -6.715
  440   1HB   TRP  44          2HB       TRP  44  -2.607   3.927  -7.162
  441   2HB   TRP  44          1HB       TRP  44  -2.482   2.498  -6.129
  442    HD1  TRP  44           HD       TRP  44  -1.559   6.179  -6.263
  443    HE1  TRP  44          1HE       TRP  44  -0.612   6.871  -3.963
  444    HE3  TRP  44          3HE       TRP  44  -1.265   1.601  -4.061
  445    HZ2  TRP  44          2HZ       TRP  44   0.169   5.627  -1.503
  446    HZ3  TRP  44          3HZ       TRP  44  -0.419   1.378  -1.732
  447    HH2  TRP  44           HH       TRP  44   0.303   3.383  -0.462
  448    QB   TRP  44           QB       TRP  44  -2.545   3.212  -6.645
  449    H    THR  45           H        THR  45   0.280   0.524  -7.213
  450    HA   THR  45           HA       THR  45  -1.772  -0.739  -8.986
  451    HB   THR  45           HB       THR  45  -0.093  -1.709 -10.373
  452    HG1  THR  45          1HG       THR  45   2.141  -1.454  -9.816
  453   1HG2  THR  45          1HG2      THR  45  -0.449   0.692 -10.827
  454   2HG2  THR  45          3HG2      THR  45   0.865   1.084  -9.715
  455   3HG2  THR  45          2HG2      THR  45   1.203   0.202 -11.207
  456    QG2  THR  45           QG2      THR  45   0.540   0.659 -10.583
  457    H    TYR  46           H        TYR  46  -2.410  -2.688  -8.191
  458    HA   TYR  46           HA       TYR  46  -1.045  -3.716  -5.760
  459   1HB   TYR  46          2HB       TYR  46  -3.405  -3.344  -5.570
  460   2HB   TYR  46          1HB       TYR  46  -3.727  -4.186  -7.089
  461    HD1  TYR  46          2HD       TYR  46  -1.777  -4.941  -3.968
  462    HD2  TYR  46          1HD       TYR  46  -4.720  -6.276  -6.795
  463    HE1  TYR  46          2HE       TYR  46  -1.960  -7.090  -2.757
  464    HE2  TYR  46          1HE       TYR  46  -4.897  -8.436  -5.589
  465    HH   TYR  46           HH       TYR  46  -4.473  -9.261  -3.233
  466    QB   TYR  46           QB       TYR  46  -3.566  -3.765  -6.330
  467    QG   TYR  46           QD       TYR  46  -3.248  -5.609  -5.382
  468    QZ   TYR  46           QE       TYR  46  -3.428  -7.763  -4.173
  469    QR   TYR  46           QR       TYR  46  -3.338  -6.686  -4.777
  470    H    ASP  47           H        ASP  47   0.039  -5.672  -5.760
  471    HA   ASP  47           HA       ASP  47   0.218  -7.149  -8.357
  472   1HB   ASP  47          2HB       ASP  47   2.003  -7.163  -5.897
  473   2HB   ASP  47          1HB       ASP  47   2.349  -7.971  -7.422
  474    QB   ASP  47           QB       ASP  47   2.176  -7.567  -6.659
  475    H    ASP  48           H        ASP  48  -1.512  -8.599  -8.213
  476    HA   ASP  48           HA       ASP  48  -2.280  -9.984  -5.797
  477   1HB   ASP  48          2HB       ASP  48  -3.697 -11.266  -7.392
  478   2HB   ASP  48          1HB       ASP  48  -3.796  -9.528  -7.671
  479    QB   ASP  48           QB       ASP  48  -3.746 -10.397  -7.531
  480    H    ALA  49           H        ALA  49   0.442 -10.443  -7.741
  481    HA   ALA  49           HA       ALA  49   0.550 -13.383  -7.428
  482   1HB   ALA  49          1HB       ALA  49   1.308 -11.734  -9.411
  483   2HB   ALA  49          3HB       ALA  49   2.805 -11.726  -8.479
  484   3HB   ALA  49          2HB       ALA  49   2.156 -13.248  -9.091
  485    QB   ALA  49           QB       ALA  49   2.090 -12.236  -8.993
  486    H    THR  50           H        THR  50   1.845 -10.429  -6.031
  487    HA   THR  50           HA       THR  50   3.431 -12.089  -4.100
  488    HB   THR  50           HB       THR  50   5.029 -10.177  -4.100
  489    HG1  THR  50          1HG       THR  50   4.506  -8.396  -5.062
  490   1HG2  THR  50          3HG2      THR  50   5.017 -12.172  -5.799
  491   2HG2  THR  50          2HG2      THR  50   4.586 -10.928  -6.973
  492   3HG2  THR  50          1HG2      THR  50   6.100 -10.808  -6.076
  493    QG2  THR  50           QG2      THR  50   5.234 -11.303  -6.283
  494    H    LYS  51           H        LYS  51   0.671 -10.338  -4.348
  495    HA   LYS  51           HA       LYS  51  -0.645  -9.097  -2.836
  496   1HB   LYS  51          2HB       LYS  51   1.279 -10.554  -0.993
  497   2HB   LYS  51          1HB       LYS  51  -0.166  -9.713  -0.434
  498   1HG   LYS  51          2HG       LYS  51  -0.566 -11.620  -2.674
  499   2HG   LYS  51          1HG       LYS  51  -0.156 -12.336  -1.116
  500   1HD   LYS  51          2HD       LYS  51  -1.993 -10.643  -0.226
  501   2HD   LYS  51          1HD       LYS  51  -2.568 -10.742  -1.891
  502   1HE   LYS  51          2HE       LYS  51  -3.730 -12.497  -0.792
  503   2HE   LYS  51          1HE       LYS  51  -2.362 -13.330  -1.557
  504   1HZ   LYS  51          1HZ       LYS  51  -2.265 -12.199   1.185
  505   2HZ   LYS  51          3HZ       LYS  51  -2.646 -13.820   0.865
  506   3HZ   LYS  51          2HZ       LYS  51  -1.117 -13.210   0.445
  507    QB   LYS  51           QB       LYS  51   0.556 -10.133  -0.713
  508    QG   LYS  51           QG       LYS  51  -0.361 -11.978  -1.895
  509    QD   LYS  51           QD       LYS  51  -2.280 -10.693  -1.059
  510    QE   LYS  51           QE       LYS  51  -3.046 -12.914  -1.175
  511    QZ   LYS  51           QZ       LYS  51  -2.009 -13.076   0.831
  512    H    THR  52           H        THR  52   1.596  -7.707  -4.020
  513    HA   THR  52           HA       THR  52   2.241  -5.780  -1.799
  514    HB   THR  52           HB       THR  52   4.012  -6.441  -4.161
  515    HG1  THR  52          1HG       THR  52   3.956  -7.595  -1.572
  516   1HG2  THR  52          2HG2      THR  52   4.262  -4.920  -1.595
  517   2HG2  THR  52          1HG2      THR  52   5.694  -5.704  -2.260
  518   3HG2  THR  52          3HG2      THR  52   4.832  -4.491  -3.208
  519    QG2  THR  52           QG2      THR  52   4.930  -5.038  -2.354
  520    H    PHE  53           H        PHE  53   1.776  -3.644  -2.281
  521    HA   PHE  53           HA       PHE  53   0.552  -3.052  -4.896
  522   1HB   PHE  53          2HB       PHE  53   0.901  -1.572  -2.283
  523   2HB   PHE  53          1HB       PHE  53   0.122  -0.838  -3.687
  524    HD1  PHE  53          2HD       PHE  53  -0.032  -3.772  -1.381
  525    HD2  PHE  53          1HD       PHE  53  -2.155  -1.326  -4.214
  526    HE1  PHE  53          2HE       PHE  53  -2.152  -4.939  -0.808
  527    HE2  PHE  53          1HE       PHE  53  -4.259  -2.501  -3.640
  528   1HZ   PHE  53           HZ       PHE  53  -4.255  -4.304  -1.945
  529    QB   PHE  53           QB       PHE  53   0.512  -1.205  -2.985
  530    QG   PHE  53           QD       PHE  53  -1.093  -2.549  -2.798
  531    QZ   PHE  53           QE       PHE  53  -3.205  -3.720  -2.224
  532    QZ   PHE  53           QR       PHE  53  -2.570  -3.368  -2.397
  533    H    THR  54           H        THR  54   1.265  -0.412  -5.430
  534    HA   THR  54           HA       THR  54   4.205  -0.166  -5.327
  535    HB   THR  54           HB       THR  54   2.950  -0.120  -8.049
  536    HG1  THR  54          1HG       THR  54   2.348  -2.114  -7.788
  537   1HG2  THR  54          3HG2      THR  54   5.632  -0.607  -6.816
  538   2HG2  THR  54          2HG2      THR  54   5.289  -1.300  -8.401
  539   3HG2  THR  54          1HG2      THR  54   5.192   0.445  -8.161
  540    QG2  THR  54           QG2      THR  54   5.371  -0.488  -7.793
  541    H    VAL  55           H        VAL  55   4.065   1.885  -4.490
  542    HA   VAL  55           HA       VAL  55   2.292   3.823  -5.903
  543    HB   VAL  55           HB       VAL  55   1.697   3.477  -3.589
  544   1HG1  VAL  55          2HG1      VAL  55   4.642   3.939  -3.073
  545   2HG1  VAL  55          1HG1      VAL  55   3.421   4.033  -1.799
  546   3HG1  VAL  55          3HG1      VAL  55   3.662   2.519  -2.672
  547   1HG2  VAL  55          2HG2      VAL  55   3.230   6.069  -3.953
  548   2HG2  VAL  55          1HG2      VAL  55   1.526   5.795  -4.307
  549   3HG2  VAL  55          3HG2      VAL  55   2.095   5.760  -2.636
  550    QG1  VAL  55           QG1      VAL  55   3.909   3.497  -2.514
  551    QG2  VAL  55           QG2      VAL  55   2.284   5.875  -3.632
  552    QQG  VAL  55           QQG      VAL  55   3.096   4.686  -3.073
  553    H    THR  56           H        THR  56   3.195   5.523  -6.938
  554    HA   THR  56           HA       THR  56   6.089   6.089  -6.445
  555    HB   THR  56           HB       THR  56   5.165   4.798  -8.592
  556    HG1  THR  56          1HG       THR  56   7.021   6.901  -8.923
  557   1HG2  THR  56          2HG2      THR  56   3.635   6.830  -9.111
  558   2HG2  THR  56          1HG2      THR  56   5.113   7.602  -9.686
  559   3HG2  THR  56          3HG2      THR  56   4.551   6.106 -10.435
  560    QG2  THR  56           QG2      THR  56   4.433   6.846  -9.744
  561    H    GLU  57           H        GLU  57   6.504   8.368  -7.707
  562    HA   GLU  57           HA       GLU  57   4.297  10.240  -6.903
  563   1HB   GLU  57          2HB       GLU  57   6.249  10.019  -5.289
  564   2HB   GLU  57          1HB       GLU  57   7.281  10.678  -6.560
  565   1HG   GLU  57          2HG       GLU  57   6.297  12.781  -6.459
  566   2HG   GLU  57          1HG       GLU  57   4.777  12.153  -5.823
  567    QB   GLU  57           QB       GLU  57   6.765  10.348  -5.924
  568    QG   GLU  57           QG       GLU  57   5.537  12.467  -6.141
   
  No H/Q in entry =         568
  Start of MODEL   25
    1   1H    MET   1          2HT       MET   1  -0.882 -12.658   8.412
    2   2H    MET   1          1HT       MET   1  -2.457 -13.251   8.650
    3   3H    MET   1          3HT       MET   1  -1.123 -14.149   9.191
    4    HA   MET   1           HA       MET   1  -0.447 -14.687   6.998
    5   1HB   MET   1          2HB       MET   1  -2.455 -15.795   8.128
    6   2HB   MET   1          1HB       MET   1  -3.473 -14.793   7.093
    7   1HG   MET   1          2HG       MET   1  -2.447 -15.753   5.094
    8   2HG   MET   1          1HG       MET   1  -1.335 -16.695   6.087
    9   1HE   MET   1          1HE       MET   1  -4.082 -16.506   4.096
   10   2HE   MET   1          3HE       MET   1  -3.545 -18.174   3.852
   11   3HE   MET   1          2HE       MET   1  -5.178 -17.845   4.424
   12    QB   MET   1           QB       MET   1  -2.964 -15.294   7.611
   13    QG   MET   1           QG       MET   1  -1.891 -16.224   5.590
   14    QE   MET   1           QE       MET   1  -4.269 -17.509   4.124
   15    H    THR   2           H        THR   2  -3.145 -12.352   7.004
   16    HA   THR   2           HA       THR   2  -2.833 -11.792   4.125
   17    HB   THR   2           HB       THR   2  -4.523 -10.478   6.279
   18    HG1  THR   2          1HG       THR   2  -6.082 -11.946   5.669
   19   1HG2  THR   2          2HG2      THR   2  -4.459 -10.375   3.276
   20   2HG2  THR   2          1HG2      THR   2  -5.980 -10.127   4.133
   21   3HG2  THR   2          3HG2      THR   2  -4.614  -9.049   4.427
   22    QG2  THR   2           QG2      THR   2  -5.018  -9.850   3.946
   23    H    THR   3           H        THR   3  -0.406 -11.212   5.113
   24    HA   THR   3           HA       THR   3  -0.259  -8.389   5.991
   25    HB   THR   3           HB       THR   3   1.935 -10.371   5.311
   26    HG1  THR   3          1HG       THR   3   1.099 -11.407   6.936
   27   1HG2  THR   3          1HG2      THR   3   2.144  -7.708   5.832
   28   2HG2  THR   3          3HG2      THR   3   2.223  -8.364   7.468
   29   3HG2  THR   3          2HG2      THR   3   3.388  -8.887   6.252
   30    QG2  THR   3           QG2      THR   3   2.585  -8.320   6.517
   31    H    PHE   4           H        PHE   4  -0.476  -6.889   4.368
   32    HA   PHE   4           HA       PHE   4   0.529  -7.511   1.634
   33   1HB   PHE   4          2HB       PHE   4  -1.276  -5.435   2.886
   34   2HB   PHE   4          1HB       PHE   4  -0.708  -5.278   1.223
   35    HD1  PHE   4          2HD       PHE   4  -1.014  -7.398  -0.297
   36    HD2  PHE   4          1HD       PHE   4  -3.205  -6.678   3.324
   37    HE1  PHE   4          2HE       PHE   4  -2.765  -8.984  -1.046
   38    HE2  PHE   4          1HE       PHE   4  -4.957  -8.257   2.571
   39   1HZ   PHE   4           HZ       PHE   4  -4.739  -9.415   0.392
   40    QB   PHE   4           QB       PHE   4  -0.992  -5.356   2.055
   41    QG   PHE   4           QD       PHE   4  -2.109  -7.038   1.513
   42    QZ   PHE   4           QE       PHE   4  -3.861  -8.620   0.763
   43    QZ   PHE   4           QR       PHE   4  -3.336  -8.146   0.989
   44    H    LYS   5           H        LYS   5   2.058  -6.132   0.603
   45    HA   LYS   5           HA       LYS   5   3.647  -4.402   2.468
   46   1HB   LYS   5          2HB       LYS   5   4.341  -6.065   0.028
   47   2HB   LYS   5          1HB       LYS   5   5.475  -4.934   0.765
   48   1HG   LYS   5          2HG       LYS   5   6.073  -6.599   2.166
   49   2HG   LYS   5          1HG       LYS   5   4.492  -6.420   2.926
   50   1HD   LYS   5          2HD       LYS   5   3.548  -8.044   1.302
   51   2HD   LYS   5          1HD       LYS   5   5.154  -8.256   0.604
   52   1HE   LYS   5          2HE       LYS   5   5.965  -8.944   2.911
   53   2HE   LYS   5          1HE       LYS   5   4.263  -8.968   3.417
   54   1HZ   LYS   5          3HZ       LYS   5   5.383 -10.442   1.090
   55   2HZ   LYS   5          2HZ       LYS   5   4.980 -11.141   2.586
   56   3HZ   LYS   5          1HZ       LYS   5   3.766 -10.471   1.603
   57    QB   LYS   5           QB       LYS   5   4.908  -5.499   0.397
   58    QG   LYS   5           QG       LYS   5   5.282  -6.509   2.546
   59    QD   LYS   5           QD       LYS   5   4.351  -8.150   0.953
   60    QE   LYS   5           QE       LYS   5   5.114  -8.956   3.164
   61    QZ   LYS   5           QZ       LYS   5   4.709 -10.685   1.759
   62    H    LEU   6           H        LEU   6   5.118  -2.969   0.629
   63    HA   LEU   6           HA       LEU   6   3.469  -1.853  -1.506
   64   1HB   LEU   6          2HB       LEU   6   2.336  -0.969   0.482
   65   2HB   LEU   6          1HB       LEU   6   3.863  -0.353   1.108
   66    HG   LEU   6           HG       LEU   6   3.975   0.959  -1.156
   67   1HD1  LEU   6          3HD1      LEU   6   1.107   0.049  -0.997
   68   2HD1  LEU   6          2HD1      LEU   6   1.524   1.577  -1.775
   69   3HD1  LEU   6          1HD1      LEU   6   2.184   0.062  -2.393
   70   1HD2  LEU   6          2HD2      LEU   6   3.363   1.693   1.334
   71   2HD2  LEU   6          1HD2      LEU   6   3.188   2.815  -0.016
   72   3HD2  LEU   6          3HD2      LEU   6   1.778   1.961   0.609
   73    QB   LEU   6           QB       LEU   6   3.099  -0.661   0.795
   74    QD1  LEU   6           QD1      LEU   6   1.605   0.563  -1.722
   75    QD2  LEU   6           QD2      LEU   6   2.776   2.156   0.643
   76    QQD  LEU   6           QQD      LEU   6   2.190   1.359  -0.539
   77    H    ILE   7           H        ILE   7   5.303  -1.934  -2.843
   78    HA   ILE   7           HA       ILE   7   7.885  -0.839  -1.964
   79    HB   ILE   7           HB       ILE   7   6.824  -1.848  -4.633
   80   1HG1  ILE   7          2HG1      ILE   7   8.784  -3.303  -2.888
   81   2HG1  ILE   7          1HG1      ILE   7   7.069  -3.371  -2.481
   82   1HG2  ILE   7          2HG2      ILE   7   9.459  -0.771  -3.742
   83   2HG2  ILE   7          1HG2      ILE   7   9.488  -2.186  -4.795
   84   3HG2  ILE   7          3HG2      ILE   7   8.696  -0.703  -5.331
   85   1HD1  ILE   7          1HD1      ILE   7   6.868  -3.882  -5.103
   86   2HD1  ILE   7          3HD1      ILE   7   8.503  -4.491  -4.844
   87   3HD1  ILE   7          2HD1      ILE   7   7.156  -5.163  -3.925
   88    QG1  ILE   7           QG1      ILE   7   7.926  -3.337  -2.684
   89    QG2  ILE   7           QG2      ILE   7   9.214  -1.220  -4.623
   90    QD1  ILE   7           QD1      ILE   7   7.509  -4.512  -4.624
   91    H    ILE   8           H        ILE   8   8.421   1.304  -2.239
   92    HA   ILE   8           HA       ILE   8   6.485   2.979  -3.725
   93    HB   ILE   8           HB       ILE   8   8.777   3.956  -2.021
   94   1HG1  ILE   8          2HG1      ILE   8   7.469   2.252  -0.728
   95   2HG1  ILE   8          1HG1      ILE   8   7.317   3.866  -0.060
   96   1HG2  ILE   8          2HG2      ILE   8   6.022   5.056  -2.680
   97   2HG2  ILE   8          1HG2      ILE   8   7.220   5.850  -1.649
   98   3HG2  ILE   8          3HG2      ILE   8   7.554   5.610  -3.366
   99   1HD1  ILE   8          2HD1      ILE   8   5.311   2.798  -2.034
  100   2HD1  ILE   8          1HD1      ILE   8   5.161   2.468  -0.309
  101   3HD1  ILE   8          3HD1      ILE   8   5.124   4.133  -0.892
  102    QG1  ILE   8           QG1      ILE   8   7.393   3.059  -0.394
  103    QG2  ILE   8           QG2      ILE   8   6.932   5.505  -2.565
  104    QD1  ILE   8           QD1      ILE   8   5.199   3.133  -1.079
  105    H    ASN   9           H        ASN   9   7.033   3.422  -5.843
  106    HA   ASN   9           HA       ASN   9   9.809   3.159  -6.782
  107   1HB   ASN   9          2HB       ASN   9   7.614   4.402  -8.425
  108   2HB   ASN   9          1HB       ASN   9   8.893   3.315  -8.934
  109   1HD2  ASN   9          2HD2      ASN   9   5.358   1.711  -8.445
  110   2HD2  ASN   9          1HD2      ASN   9   5.698   3.313  -8.908
  111    QB   ASN   9           QB       ASN   9   8.254   3.858  -8.679
  112    QD2  ASN   9           QD2      ASN   9   5.528   2.512  -8.677
  113    H    GLY  10           H        GLY  10   9.831   5.312  -8.672
  114   1HA   GLY  10          2HA       GLY  10  10.493   7.555  -8.829
  115   2HA   GLY  10          1HA       GLY  10   9.312   7.878  -7.557
  116    QA   GLY  10           QA       GLY  10   9.902   7.716  -8.193
  117    H    LYS  11           H        LYS  11  10.330   9.005  -5.982
  118    HA   LYS  11           HA       LYS  11  12.782   7.849  -4.759
  119   1HB   LYS  11          2HB       LYS  11  13.894  10.072  -4.910
  120   2HB   LYS  11          1HB       LYS  11  13.537   9.410  -6.504
  121   1HG   LYS  11          2HG       LYS  11  11.585  10.823  -6.730
  122   2HG   LYS  11          1HG       LYS  11  11.733  11.372  -5.059
  123   1HD   LYS  11          2HD       LYS  11  14.186  12.041  -5.928
  124   2HD   LYS  11          1HD       LYS  11  13.317  12.154  -7.458
  125   1HE   LYS  11          2HE       LYS  11  12.411  13.521  -4.899
  126   2HE   LYS  11          1HE       LYS  11  13.324  14.325  -6.192
  127   1HZ   LYS  11          2HZ       LYS  11  11.604  13.547  -7.765
  128   2HZ   LYS  11          1HZ       LYS  11  10.694  12.964  -6.453
  129   3HZ   LYS  11          3HZ       LYS  11  10.992  14.627  -6.606
  130    QB   LYS  11           QB       LYS  11  13.715   9.741  -5.707
  131    QG   LYS  11           QG       LYS  11  11.659  11.097  -5.895
  132    QD   LYS  11           QD       LYS  11  13.751  12.098  -6.693
  133    QE   LYS  11           QE       LYS  11  12.867  13.923  -5.546
  134    QZ   LYS  11           QZ       LYS  11  11.096  13.713  -6.941
  135    H    THR  12           H        THR  12   9.852   8.359  -4.037
  136    HA   THR  12           HA       THR  12  10.188  10.241  -1.745
  137    HB   THR  12           HB       THR  12   7.661  10.040  -1.739
  138    HG1  THR  12          1HG       THR  12   7.307   8.136  -2.728
  139   1HG2  THR  12          3HG2      THR  12   9.142  11.720  -3.100
  140   2HG2  THR  12          2HG2      THR  12   8.588  10.793  -4.494
  141   3HG2  THR  12          1HG2      THR  12   7.418  11.606  -3.454
  142    QG2  THR  12           QG2      THR  12   8.383  11.373  -3.683
  143    H    LEU  13           H        LEU  13  10.819   9.232   0.082
  144    HA   LEU  13           HA       LEU  13  10.852   7.768   1.878
  145   1HB   LEU  13          2HB       LEU  13   8.754   7.269   2.563
  146   2HB   LEU  13          1HB       LEU  13   8.231   8.045   1.080
  147    HG   LEU  13           HG       LEU  13   8.399   5.720   0.005
  148   1HD1  LEU  13          3HD1      LEU  13   9.598   5.024   2.357
  149   2HD1  LEU  13          2HD1      LEU  13   7.936   4.526   2.668
  150   3HD1  LEU  13          1HD1      LEU  13   8.807   3.873   1.281
  151   1HD2  LEU  13          2HD2      LEU  13   6.332   7.044   1.049
  152   2HD2  LEU  13          1HD2      LEU  13   6.152   5.407   0.412
  153   3HD2  LEU  13          3HD2      LEU  13   6.333   5.666   2.149
  154    QB   LEU  13           QB       LEU  13   8.493   7.657   1.822
  155    QD1  LEU  13           QD1      LEU  13   8.780   4.474   2.102
  156    QD2  LEU  13           QD2      LEU  13   6.272   6.039   1.203
  157    QQD  LEU  13           QQD      LEU  13   7.526   5.257   1.653
  158    H    LYS  14           H        LYS  14   9.918   5.910  -1.105
  159    HA   LYS  14           HA       LYS  14  10.759   3.860  -1.912
  160   1HB   LYS  14          2HB       LYS  14  13.009   5.503  -0.839
  161   2HB   LYS  14          1HB       LYS  14  13.372   3.849  -1.334
  162   1HG   LYS  14          2HG       LYS  14  11.781   5.664  -3.136
  163   2HG   LYS  14          1HG       LYS  14  13.543   5.740  -3.119
  164   1HD   LYS  14          2HD       LYS  14  12.192   3.071  -3.375
  165   2HD   LYS  14          1HD       LYS  14  12.326   4.112  -4.792
  166   1HE   LYS  14          2HE       LYS  14  14.712   4.114  -4.699
  167   2HE   LYS  14          1HE       LYS  14  14.720   3.439  -3.058
  168   1HZ   LYS  14          2HZ       LYS  14  13.572   1.470  -3.935
  169   2HZ   LYS  14          1HZ       LYS  14  13.700   2.099  -5.508
  170   3HZ   LYS  14          3HZ       LYS  14  15.100   1.681  -4.648
  171    QB   LYS  14           QB       LYS  14  13.190   4.676  -1.087
  172    QG   LYS  14           QG       LYS  14  12.662   5.702  -3.128
  173    QD   LYS  14           QD       LYS  14  12.259   3.592  -4.083
  174    QE   LYS  14           QE       LYS  14  14.716   3.777  -3.879
  175    QZ   LYS  14           QZ       LYS  14  14.124   1.750  -4.697
  176    H    GLY  15           H        GLY  15   9.690   2.285  -0.599
  177   1HA   GLY  15          2HA       GLY  15  11.377   0.708   1.113
  178   2HA   GLY  15          1HA       GLY  15  10.255   1.653   2.090
  179    QA   GLY  15           QA       GLY  15  10.816   1.181   1.602
  180    H    GLU  16           H        GLU  16  10.033  -1.040   2.239
  181    HA   GLU  16           HA       GLU  16   7.522  -1.635   0.710
  182   1HB   GLU  16          2HB       GLU  16   9.627  -2.789  -0.087
  183   2HB   GLU  16          1HB       GLU  16   9.733  -3.556   1.498
  184   1HG   GLU  16          2HG       GLU  16   7.369  -4.417   1.106
  185   2HG   GLU  16          1HG       GLU  16   7.539  -3.873  -0.563
  186    QB   GLU  16           QB       GLU  16   9.680  -3.172   0.705
  187    QG   GLU  16           QG       GLU  16   7.454  -4.145   0.271
  188    H    ILE  17           H        ILE  17   7.191  -0.485   3.130
  189    HA   ILE  17           HA       ILE  17   7.354  -2.102   5.467
  190    HB   ILE  17           HB       ILE  17   6.911   0.326   5.403
  191   1HG1  ILE  17          2HG1      ILE  17   4.819   0.269   6.956
  192   2HG1  ILE  17          1HG1      ILE  17   4.912  -1.481   6.757
  193   1HG2  ILE  17          2HG2      ILE  17   5.070  -0.306   3.439
  194   2HG2  ILE  17          1HG2      ILE  17   4.041   0.078   4.818
  195   3HG2  ILE  17          3HG2      ILE  17   5.212   1.261   4.234
  196   1HD1  ILE  17          3HD1      ILE  17   7.291  -1.400   7.506
  197   2HD1  ILE  17          2HD1      ILE  17   7.107   0.328   7.805
  198   3HD1  ILE  17          1HD1      ILE  17   6.171  -0.834   8.744
  199    QG1  ILE  17           QG1      ILE  17   4.865  -0.606   6.856
  200    QG2  ILE  17           QG2      ILE  17   4.774   0.344   4.164
  201    QD1  ILE  17           QD1      ILE  17   6.856  -0.635   8.018
  202    H    THR  18           H        THR  18   6.145  -3.823   6.165
  203    HA   THR  18           HA       THR  18   3.919  -4.777   4.426
  204    HB   THR  18           HB       THR  18   4.323  -6.907   5.568
  205    HG1  THR  18          1HG       THR  18   6.296  -5.567   7.086
  206   1HG2  THR  18          3HG2      THR  18   6.207  -5.561   3.971
  207   2HG2  THR  18          2HG2      THR  18   7.142  -6.296   5.273
  208   3HG2  THR  18          1HG2      THR  18   6.108  -7.298   4.256
  209    QG2  THR  18           QG2      THR  18   6.486  -6.385   4.500
  210    H    ILE  19           H        ILE  19   1.817  -4.961   5.213
  211    HA   ILE  19           HA       ILE  19   1.333  -4.426   8.113
  212    HB   ILE  19           HB       ILE  19  -0.384  -2.756   7.485
  213   1HG1  ILE  19          2HG1      ILE  19   0.055  -1.996   4.921
  214   2HG1  ILE  19          1HG1      ILE  19   0.324  -3.732   4.765
  215   1HG2  ILE  19          2HG2      ILE  19   2.084  -2.173   7.836
  216   2HG2  ILE  19          1HG2      ILE  19   2.202  -2.071   6.079
  217   3HG2  ILE  19          3HG2      ILE  19   1.121  -0.987   6.954
  218   1HD1  ILE  19          3HD1      ILE  19  -1.912  -3.817   6.237
  219   2HD1  ILE  19          2HD1      ILE  19  -2.173  -2.254   5.463
  220   3HD1  ILE  19          1HD1      ILE  19  -1.963  -3.701   4.478
  221    QG1  ILE  19           QG1      ILE  19   0.190  -2.864   4.843
  222    QG2  ILE  19           QG2      ILE  19   1.802  -1.744   6.956
  223    QD1  ILE  19           QD1      ILE  19  -2.016  -3.257   5.392
  224    H    GLU  20           H        GLU  20  -0.588  -5.387   8.902
  225    HA   GLU  20           HA       GLU  20  -1.710  -7.537   7.201
  226   1HB   GLU  20          2HB       GLU  20  -2.667  -8.276   9.370
  227   2HB   GLU  20          1HB       GLU  20  -0.933  -7.987   9.498
  228   1HG   GLU  20          2HG       GLU  20  -2.442  -5.552  10.044
  229   2HG   GLU  20          1HG       GLU  20  -2.946  -6.864  11.109
  230    QB   GLU  20           QB       GLU  20  -1.800  -8.131   9.434
  231    QG   GLU  20           QG       GLU  20  -2.694  -6.208  10.576
  232    H    ALA  21           H        ALA  21  -4.019  -7.753   6.867
  233    HA   ALA  21           HA       ALA  21  -5.881  -5.682   7.741
  234   1HB   ALA  21          2HB       ALA  21  -4.565  -5.651   5.040
  235   2HB   ALA  21          1HB       ALA  21  -6.220  -5.063   5.197
  236   3HB   ALA  21          3HB       ALA  21  -4.923  -4.301   6.117
  237    QB   ALA  21           QB       ALA  21  -5.236  -5.005   5.451
  238    H    VAL  22           H        VAL  22  -8.070  -6.069   6.794
  239    HA   VAL  22           HA       VAL  22  -8.906  -8.749   6.838
  240    HB   VAL  22           HB       VAL  22 -10.345  -6.776   7.148
  241   1HG1  VAL  22          1HG1      VAL  22  -9.133  -5.554   5.181
  242   2HG1  VAL  22          3HG1      VAL  22 -10.342  -6.344   4.169
  243   3HG1  VAL  22          2HG1      VAL  22 -10.847  -5.240   5.447
  244   1HG2  VAL  22          3HG2      VAL  22 -11.120  -9.093   6.066
  245   2HG2  VAL  22          2HG2      VAL  22 -12.248  -7.754   6.275
  246   3HG2  VAL  22          1HG2      VAL  22 -11.504  -8.043   4.702
  247    QG1  VAL  22           QG1      VAL  22 -10.107  -5.713   4.932
  248    QG2  VAL  22           QG2      VAL  22 -11.624  -8.297   5.681
  249    QQG  VAL  22           QQG      VAL  22 -10.865  -7.005   5.307
  250    H    ASP  23           H        ASP  23  -8.015  -6.734   4.055
  251    HA   ASP  23           HA       ASP  23  -7.378  -9.090   2.437
  252   1HB   ASP  23          2HB       ASP  23  -9.073  -8.518   0.693
  253   2HB   ASP  23          1HB       ASP  23  -9.823  -8.977   2.219
  254    QB   ASP  23           QB       ASP  23  -9.448  -8.747   1.456
  255    H    ALA  24           H        ALA  24  -6.737  -8.221   0.115
  256    HA   ALA  24           HA       ALA  24  -4.725  -6.231   0.411
  257   1HB   ALA  24          3HB       ALA  24  -5.219  -8.090  -1.400
  258   2HB   ALA  24          2HB       ALA  24  -6.061  -6.778  -2.225
  259   3HB   ALA  24          1HB       ALA  24  -4.340  -6.630  -1.858
  260    QB   ALA  24           QB       ALA  24  -5.207  -7.166  -1.827
  261    H    ALA  25           H        ALA  25  -8.133  -5.974  -0.465
  262    HA   ALA  25           HA       ALA  25  -8.216  -3.392  -1.604
  263   1HB   ALA  25          1HB       ALA  25 -10.059  -5.153  -0.035
  264   2HB   ALA  25          3HB       ALA  25 -10.558  -3.489  -0.336
  265   3HB   ALA  25          2HB       ALA  25 -10.222  -4.567  -1.690
  266    QB   ALA  25           QB       ALA  25 -10.280  -4.403  -0.687
  267    H    GLU  26           H        GLU  26  -8.558  -4.349   1.818
  268    HA   GLU  26           HA       GLU  26  -8.685  -1.674   2.882
  269   1HB   GLU  26          2HB       GLU  26  -9.417  -3.775   4.018
  270   2HB   GLU  26          1HB       GLU  26  -7.730  -4.275   4.133
  271   1HG   GLU  26          2HG       GLU  26  -7.890  -3.257   6.183
  272   2HG   GLU  26          1HG       GLU  26  -7.532  -1.817   5.230
  273    QB   GLU  26           QB       GLU  26  -8.574  -4.025   4.076
  274    QG   GLU  26           QG       GLU  26  -7.711  -2.537   5.706
  275    H    ALA  27           H        ALA  27  -6.019  -3.971   2.333
  276    HA   ALA  27           HA       ALA  27  -3.883  -2.554   3.551
  277   1HB   ALA  27          1HB       ALA  27  -4.280  -4.596   1.453
  278   2HB   ALA  27          3HB       ALA  27  -2.764  -3.704   1.318
  279   3HB   ALA  27          2HB       ALA  27  -3.145  -4.584   2.801
  280    QB   ALA  27           QB       ALA  27  -3.396  -4.294   1.857
  281    H    GLU  28           H        GLU  28  -5.177  -2.299   0.224
  282    HA   GLU  28           HA       GLU  28  -3.373  -0.328  -0.766
  283   1HB   GLU  28          2HB       GLU  28  -5.230  -1.763  -1.909
  284   2HB   GLU  28          1HB       GLU  28  -6.311  -0.445  -1.457
  285   1HG   GLU  28          2HG       GLU  28  -4.478   1.080  -2.548
  286   2HG   GLU  28          1HG       GLU  28  -3.975  -0.402  -3.360
  287    QB   GLU  28           QB       GLU  28  -5.770  -1.104  -1.683
  288    QG   GLU  28           QG       GLU  28  -4.226   0.339  -2.954
  289    H    LYS  29           H        LYS  29  -6.382  -0.029   1.119
  290    HA   LYS  29           HA       LYS  29  -6.530   2.865   1.027
  291   1HB   LYS  29          2HB       LYS  29  -7.566   0.824   3.031
  292   2HB   LYS  29          1HB       LYS  29  -8.115   2.495   2.910
  293   1HG   LYS  29          2HG       LYS  29  -8.438   1.720   0.334
  294   2HG   LYS  29          1HG       LYS  29  -8.705   0.179   1.149
  295   1HD   LYS  29          2HD       LYS  29 -10.850   1.217   1.026
  296   2HD   LYS  29          1HD       LYS  29 -10.314   1.433   2.692
  297   1HE   LYS  29          2HE       LYS  29 -10.200   3.702   2.475
  298   2HE   LYS  29          1HE       LYS  29  -9.460   3.598   0.866
  299   1HZ   LYS  29          1HZ       LYS  29 -12.308   2.968   1.434
  300   2HZ   LYS  29          3HZ       LYS  29 -11.773   4.462   0.834
  301   3HZ   LYS  29          2HZ       LYS  29 -11.565   3.054  -0.092
  302    QB   LYS  29           QB       LYS  29  -7.841   1.660   2.971
  303    QG   LYS  29           QG       LYS  29  -8.571   0.949   0.742
  304    QD   LYS  29           QD       LYS  29 -10.582   1.325   1.859
  305    QE   LYS  29           QE       LYS  29  -9.830   3.650   1.671
  306    QZ   LYS  29           QZ       LYS  29 -11.882   3.495   0.726
  307    H    ILE  30           H        ILE  30  -5.354   0.568   3.507
  308    HA   ILE  30           HA       ILE  30  -4.339   2.464   5.381
  309    HB   ILE  30           HB       ILE  30  -3.418  -0.341   4.633
  310   1HG1  ILE  30          2HG1      ILE  30  -5.263   0.585   6.858
  311   2HG1  ILE  30          1HG1      ILE  30  -5.828  -0.065   5.319
  312   1HG2  ILE  30          2HG2      ILE  30  -2.584   1.565   6.758
  313   2HG2  ILE  30          1HG2      ILE  30  -2.863  -0.099   7.275
  314   3HG2  ILE  30          3HG2      ILE  30  -1.682   0.246   6.012
  315   1HD1  ILE  30          3HD1      ILE  30  -4.063  -1.999   6.001
  316   2HD1  ILE  30          2HD1      ILE  30  -4.556  -1.464   7.609
  317   3HD1  ILE  30          1HD1      ILE  30  -5.765  -2.047   6.464
  318    QG1  ILE  30           QG1      ILE  30  -5.545   0.260   6.088
  319    QG2  ILE  30           QG2      ILE  30  -2.376   0.571   6.682
  320    QD1  ILE  30           QD1      ILE  30  -4.794  -1.837   6.692
  321    H    PHE  31           H        PHE  31  -2.882   0.946   2.527
  322    HA   PHE  31           HA       PHE  31  -0.264   2.175   2.844
  323   1HB   PHE  31          2HB       PHE  31  -1.794   0.642   0.757
  324   2HB   PHE  31          1HB       PHE  31  -0.298   1.451   0.289
  325    HD1  PHE  31          1HD       PHE  31   1.523   1.185   2.429
  326    HD2  PHE  31          2HD       PHE  31  -1.461  -1.624   1.143
  327    HE1  PHE  31          1HE       PHE  31   2.838  -0.667   3.427
  328    HE2  PHE  31          2HE       PHE  31  -0.146  -3.476   2.143
  329   1HZ   PHE  31           HZ       PHE  31   2.003  -2.997   3.285
  330    QB   PHE  31           QB       PHE  31  -1.046   1.047   0.523
  331    QG   PHE  31           QD       PHE  31   0.031  -0.219   1.786
  332    QZ   PHE  31           QE       PHE  31   1.346  -2.072   2.785
  333    QZ   PHE  31           QR       PHE  31   0.951  -1.516   2.485
  334    H    LYS  32           H        LYS  32  -3.242   2.939   1.083
  335    HA   LYS  32           HA       LYS  32  -2.156   5.211  -0.326
  336   1HB   LYS  32          2HB       LYS  32  -4.870   4.036   0.162
  337   2HB   LYS  32          1HB       LYS  32  -4.704   5.592  -0.648
  338   1HG   LYS  32          2HG       LYS  32  -3.340   4.638  -2.387
  339   2HG   LYS  32          1HG       LYS  32  -3.224   3.101  -1.531
  340   1HD   LYS  32          2HD       LYS  32  -4.887   2.893  -3.300
  341   2HD   LYS  32          1HD       LYS  32  -5.709   2.857  -1.739
  342   1HE   LYS  32          2HE       LYS  32  -6.700   4.922  -2.060
  343   2HE   LYS  32          1HE       LYS  32  -5.352   5.529  -3.043
  344   1HZ   LYS  32          3HZ       LYS  32  -7.279   3.423  -3.874
  345   2HZ   LYS  32          2HZ       LYS  32  -7.292   5.033  -4.418
  346   3HZ   LYS  32          1HZ       LYS  32  -5.990   4.012  -4.807
  347    QB   LYS  32           QB       LYS  32  -4.787   4.814  -0.243
  348    QG   LYS  32           QG       LYS  32  -3.282   3.870  -1.959
  349    QD   LYS  32           QD       LYS  32  -5.298   2.875  -2.520
  350    QE   LYS  32           QE       LYS  32  -6.026   5.225  -2.551
  351    QZ   LYS  32           QZ       LYS  32  -6.854   4.156  -4.366
  352    H    GLN  33           H        GLN  33  -2.776   4.843   2.938
  353    HA   GLN  33           HA       GLN  33  -3.635   7.714   3.278
  354   1HB   GLN  33          2HB       GLN  33  -4.993   5.916   4.385
  355   2HB   GLN  33          1HB       GLN  33  -3.538   5.350   5.206
  356   1HG   GLN  33          2HG       GLN  33  -3.667   8.125   5.730
  357   2HG   GLN  33          1HG       GLN  33  -5.313   7.528   5.931
  358   1HE2  GLN  33          2HE2      GLN  33  -3.251   7.056   9.104
  359   2HE2  GLN  33          1HE2      GLN  33  -3.450   8.400   8.087
  360    QB   GLN  33           QB       GLN  33  -4.265   5.633   4.796
  361    QG   GLN  33           QG       GLN  33  -4.490   7.827   5.831
  362    QE2  GLN  33           QE2      GLN  33  -3.350   7.728   8.595
  363    H    TYR  34           H        TYR  34  -1.491   5.161   4.289
  364    HA   TYR  34           HA       TYR  34   0.482   6.463   5.822
  365   1HB   TYR  34          2HB       TYR  34   0.423   4.111   5.664
  366   2HB   TYR  34          1HB       TYR  34   0.181   4.147   3.913
  367    HD1  TYR  34          1HD       TYR  34   2.171   4.740   2.435
  368    HD2  TYR  34          2HD       TYR  34   2.591   3.963   6.639
  369    HE1  TYR  34          1HE       TYR  34   4.605   4.378   2.125
  370    HE2  TYR  34          2HE       TYR  34   5.026   3.601   6.330
  371    HH   TYR  34           HH       TYR  34   6.580   2.994   4.550
  372    QB   TYR  34           QB       TYR  34   0.302   4.129   4.788
  373    QG   TYR  34           QD       TYR  34   2.381   4.351   4.537
  374    QZ   TYR  34           QE       TYR  34   4.815   3.990   4.227
  375    QR   TYR  34           QR       TYR  34   3.598   4.170   4.382
  376    H    ALA  35           H        ALA  35   0.120   6.123   2.297
  377    HA   ALA  35           HA       ALA  35   2.563   7.358   1.434
  378   1HB   ALA  35          1HB       ALA  35  -0.171   6.805   0.321
  379   2HB   ALA  35          3HB       ALA  35   0.912   7.858  -0.591
  380   3HB   ALA  35          2HB       ALA  35   1.395   6.200  -0.220
  381    QB   ALA  35           QB       ALA  35   0.712   6.954  -0.163
  382    H    ASN  36           H        ASN  36  -0.716   8.722   1.914
  383    HA   ASN  36           HA       ASN  36  -0.155  11.412   1.179
  384   1HB   ASN  36          2HB       ASN  36  -2.120  10.007   2.961
  385   2HB   ASN  36          1HB       ASN  36  -2.108  11.769   2.895
  386   1HD2  ASN  36          2HD2      ASN  36  -3.264   9.660  -0.435
  387   2HD2  ASN  36          1HD2      ASN  36  -2.377   8.877   0.783
  388    QB   ASN  36           QB       ASN  36  -2.114  10.888   2.928
  389    QD2  ASN  36           QD2      ASN  36  -2.821   9.268   0.174
  390    H    ASP  37           H        ASP  37  -0.063   9.877   4.410
  391    HA   ASP  37           HA       ASP  37   0.680  12.110   5.960
  392   1HB   ASP  37          2HB       ASP  37   0.105   9.620   6.528
  393   2HB   ASP  37          1HB       ASP  37   1.847   9.374   6.402
  394    QB   ASP  37           QB       ASP  37   0.976   9.497   6.465
  395    H    ASN  38           H        ASN  38   2.590  10.257   3.735
  396    HA   ASN  38           HA       ASN  38   5.089  11.541   4.626
  397   1HB   ASN  38          2HB       ASN  38   4.315   9.155   2.981
  398   2HB   ASN  38          1HB       ASN  38   5.937   9.829   2.820
  399   1HD2  ASN  38          2HD2      ASN  38   6.767   9.063   6.295
  400   2HD2  ASN  38          1HD2      ASN  38   6.946  10.327   5.176
  401    QB   ASN  38           QB       ASN  38   5.126   9.492   2.900
  402    QD2  ASN  38           QD2      ASN  38   6.857   9.695   5.736
  403    H    GLY  39           H        GLY  39   2.760  11.530   2.017
  404   1HA   GLY  39          2HA       GLY  39   2.591  13.473   0.530
  405   2HA   GLY  39          1HA       GLY  39   4.342  13.662   0.649
  406    QA   GLY  39           QA       GLY  39   3.466  13.567   0.589
  407    H    ILE  40           H        ILE  40   2.639  10.613   0.144
  408    HA   ILE  40           HA       ILE  40   4.176  10.209  -2.368
  409    HB   ILE  40           HB       ILE  40   2.894   8.598  -0.212
  410   1HG1  ILE  40          2HG1      ILE  40   5.042   7.335  -0.470
  411   2HG1  ILE  40          1HG1      ILE  40   5.492   8.477  -1.738
  412   1HG2  ILE  40          1HG2      ILE  40   1.905   7.655  -2.323
  413   2HG2  ILE  40          3HG2      ILE  40   3.551   7.337  -2.877
  414   3HG2  ILE  40          2HG2      ILE  40   2.931   6.531  -1.433
  415   1HD1  ILE  40          2HD1      ILE  40   4.662   9.343   1.032
  416   2HD1  ILE  40          1HD1      ILE  40   6.346   9.055   0.582
  417   3HD1  ILE  40          3HD1      ILE  40   5.421  10.323  -0.228
  418    QG1  ILE  40           QG1      ILE  40   5.267   7.906  -1.104
  419    QG2  ILE  40           QG2      ILE  40   2.796   7.174  -2.211
  420    QD1  ILE  40           QD1      ILE  40   5.476   9.574   0.462
  421    H    ASP  41           H        ASP  41   3.143  10.766  -4.202
  422    HA   ASP  41           HA       ASP  41   0.360   9.897  -4.691
  423   1HB   ASP  41          2HB       ASP  41   0.470  12.169  -3.431
  424   2HB   ASP  41          1HB       ASP  41   1.035  12.825  -4.968
  425    QB   ASP  41           QB       ASP  41   0.752  12.497  -4.200
  426    H    GLY  42           H        GLY  42   1.004   8.786  -6.561
  427   1HA   GLY  42          2HA       GLY  42   1.512  10.361  -8.945
  428   2HA   GLY  42          1HA       GLY  42   2.925   9.427  -8.453
  429    QA   GLY  42           QA       GLY  42   2.218   9.894  -8.699
  430    H    GLU  43           H        GLU  43   2.284   7.020  -7.885
  431    HA   GLU  43           HA       GLU  43   0.337   6.019  -9.941
  432   1HB   GLU  43          2HB       GLU  43   3.102   4.986  -9.212
  433   2HB   GLU  43          1HB       GLU  43   2.009   4.222 -10.370
  434   1HG   GLU  43          2HG       GLU  43   2.971   7.085 -10.622
  435   2HG   GLU  43          1HG       GLU  43   3.742   5.720 -11.429
  436    QB   GLU  43           QB       GLU  43   2.555   4.604  -9.791
  437    QG   GLU  43           QG       GLU  43   3.356   6.402 -11.026
  438    H    TRP  44           H        TRP  44  -0.259   3.675  -9.499
  439    HA   TRP  44           HA       TRP  44   0.054   2.601  -6.772
  440   1HB   TRP  44          2HB       TRP  44  -2.397   4.073  -7.727
  441   2HB   TRP  44          1HB       TRP  44  -2.612   2.647  -6.702
  442    HD1  TRP  44           HD       TRP  44  -1.699   6.273  -6.527
  443    HE1  TRP  44          1HE       TRP  44  -1.057   6.860  -4.095
  444    HE3  TRP  44          3HE       TRP  44  -1.467   1.596  -4.579
  445    HZ2  TRP  44          2HZ       TRP  44  -0.508   5.490  -1.633
  446    HZ3  TRP  44          3HZ       TRP  44  -0.883   1.246  -2.184
  447    HH2  TRP  44           HH       TRP  44  -0.399   3.188  -0.720
  448    QB   TRP  44           QB       TRP  44  -2.505   3.360  -7.215
  449    H    THR  45           H        THR  45   0.269   0.454  -7.239
  450    HA   THR  45           HA       THR  45  -1.725  -0.820  -9.058
  451    HB   THR  45           HB       THR  45  -0.041  -1.828 -10.415
  452    HG1  THR  45          1HG       THR  45   1.700  -0.963  -8.375
  453   1HG2  THR  45          2HG2      THR  45  -0.409   0.558 -10.929
  454   2HG2  THR  45          1HG2      THR  45   0.904   0.987  -9.831
  455   3HG2  THR  45          3HG2      THR  45   1.244   0.067 -11.298
  456    QG2  THR  45           QG2      THR  45   0.580   0.537 -10.686
  457    H    TYR  46           H        TYR  46  -2.387  -2.738  -8.210
  458    HA   TYR  46           HA       TYR  46  -1.041  -3.725  -5.757
  459   1HB   TYR  46          2HB       TYR  46  -3.419  -3.387  -5.637
  460   2HB   TYR  46          1HB       TYR  46  -3.683  -4.283  -7.135
  461    HD1  TYR  46          2HD       TYR  46  -1.739  -4.932  -3.984
  462    HD2  TYR  46          1HD       TYR  46  -4.700  -6.352  -6.753
  463    HE1  TYR  46          2HE       TYR  46  -1.924  -7.043  -2.703
  464    HE2  TYR  46          1HE       TYR  46  -4.876  -8.471  -5.474
  465    HH   TYR  46           HH       TYR  46  -2.805  -9.651  -3.578
  466    QB   TYR  46           QB       TYR  46  -3.551  -3.835  -6.386
  467    QG   TYR  46           QD       TYR  46  -3.219  -5.642  -5.368
  468    QZ   TYR  46           QE       TYR  46  -3.400  -7.757  -4.088
  469    QR   TYR  46           QR       TYR  46  -3.310  -6.699  -4.728
  470    H    ASP  47           H        ASP  47  -0.143  -5.791  -5.612
  471    HA   ASP  47           HA       ASP  47   0.196  -7.277  -8.193
  472   1HB   ASP  47          2HB       ASP  47   2.137  -6.123  -6.848
  473   2HB   ASP  47          1HB       ASP  47   1.980  -7.518  -5.780
  474    QB   ASP  47           QB       ASP  47   2.059  -6.820  -6.314
  475    H    ASP  48           H        ASP  48  -1.552  -8.723  -7.992
  476    HA   ASP  48           HA       ASP  48  -2.272 -10.069  -5.543
  477   1HB   ASP  48          2HB       ASP  48  -3.679 -11.412  -7.095
  478   2HB   ASP  48          1HB       ASP  48  -3.809  -9.683  -7.417
  479    QB   ASP  48           QB       ASP  48  -3.744 -10.547  -7.256
  480    H    ALA  49           H        ALA  49   0.422 -10.531  -7.535
  481    HA   ALA  49           HA       ALA  49   0.606 -13.455  -7.129
  482   1HB   ALA  49          1HB       ALA  49   1.310 -11.791  -9.154
  483   2HB   ALA  49          3HB       ALA  49   2.832 -11.840  -8.264
  484   3HB   ALA  49          2HB       ALA  49   2.114 -13.335  -8.865
  485    QB   ALA  49           QB       ALA  49   2.085 -12.322  -8.761
  486    H    THR  50           H        THR  50   1.875 -10.429  -5.856
  487    HA   THR  50           HA       THR  50   3.560 -11.996  -3.932
  488    HB   THR  50           HB       THR  50   5.052  -9.994  -3.981
  489    HG1  THR  50          1HG       THR  50   4.453  -8.267  -5.017
  490   1HG2  THR  50          3HG2      THR  50   5.089 -12.016  -5.671
  491   2HG2  THR  50          2HG2      THR  50   4.617 -10.784  -6.839
  492   3HG2  THR  50          1HG2      THR  50   6.129 -10.618  -5.945
  493    QG2  THR  50           QG2      THR  50   5.278 -11.139  -6.152
  494    H    LYS  51           H        LYS  51   0.718 -10.344  -4.150
  495    HA   LYS  51           HA       LYS  51  -0.622  -9.163  -2.611
  496   1HB   LYS  51          2HB       LYS  51   1.389 -10.453  -0.731
  497   2HB   LYS  51          1HB       LYS  51  -0.172  -9.792  -0.247
  498   1HG   LYS  51          2HG       LYS  51  -0.049 -11.851  -2.431
  499   2HG   LYS  51          1HG       LYS  51   0.036 -12.361  -0.745
  500   1HD   LYS  51          2HD       LYS  51  -2.050 -10.835  -0.421
  501   2HD   LYS  51          1HD       LYS  51  -2.206 -10.946  -2.174
  502   1HE   LYS  51          2HE       LYS  51  -1.791 -13.583  -1.499
  503   2HE   LYS  51          1HE       LYS  51  -2.743 -12.995  -0.121
  504   1HZ   LYS  51          3HZ       LYS  51  -4.265 -11.942  -1.729
  505   2HZ   LYS  51          2HZ       LYS  51  -3.402 -12.666  -3.001
  506   3HZ   LYS  51          1HZ       LYS  51  -4.235 -13.632  -1.879
  507    QB   LYS  51           QB       LYS  51   0.609 -10.122  -0.489
  508    QG   LYS  51           QG       LYS  51  -0.006 -12.106  -1.588
  509    QD   LYS  51           QD       LYS  51  -2.128 -10.891  -1.297
  510    QE   LYS  51           QE       LYS  51  -2.267 -13.289  -0.810
  511    QZ   LYS  51           QZ       LYS  51  -3.967 -12.747  -2.203
  512    H    THR  52           H        THR  52   1.505  -7.670  -3.846
  513    HA   THR  52           HA       THR  52   2.066  -5.689  -1.657
  514    HB   THR  52           HB       THR  52   3.946  -6.560  -3.875
  515    HG1  THR  52          1HG       THR  52   3.918  -8.226  -2.504
  516   1HG2  THR  52          1HG2      THR  52   4.051  -4.550  -1.664
  517   2HG2  THR  52          3HG2      THR  52   5.535  -5.407  -2.083
  518   3HG2  THR  52          2HG2      THR  52   4.695  -4.450  -3.304
  519    QG2  THR  52           QG2      THR  52   4.760  -4.802  -2.351
  520    H    PHE  53           H        PHE  53   1.766  -3.543  -2.268
  521    HA   PHE  53           HA       PHE  53   0.621  -3.058  -4.958
  522   1HB   PHE  53          2HB       PHE  53   0.826  -1.454  -2.396
  523   2HB   PHE  53          1HB       PHE  53   0.063  -0.838  -3.861
  524    HD1  PHE  53          2HD       PHE  53  -0.042  -3.697  -1.450
  525    HD2  PHE  53          1HD       PHE  53  -2.203  -1.340  -4.328
  526    HE1  PHE  53          2HE       PHE  53  -2.142  -4.874  -0.839
  527    HE2  PHE  53          1HE       PHE  53  -4.292  -2.521  -3.714
  528   1HZ   PHE  53           HZ       PHE  53  -4.261  -4.286  -1.976
  529    QB   PHE  53           QB       PHE  53   0.444  -1.146  -3.128
  530    QG   PHE  53           QD       PHE  53  -1.122  -2.519  -2.889
  531    QZ   PHE  53           QE       PHE  53  -3.217  -3.697  -2.276
  532    QZ   PHE  53           QR       PHE  53  -2.588  -3.344  -2.461
  533    H    THR  54           H        THR  54   1.344  -0.434  -5.519
  534    HA   THR  54           HA       THR  54   4.246  -0.094  -5.137
  535    HB   THR  54           HB       THR  54   3.439  -0.128  -7.996
  536    HG1  THR  54          1HG       THR  54   3.866  -2.555  -6.596
  537   1HG2  THR  54          1HG2      THR  54   5.775   0.153  -6.744
  538   2HG2  THR  54          3HG2      THR  54   5.767  -1.607  -6.864
  539   3HG2  THR  54          2HG2      THR  54   5.661  -0.622  -8.324
  540    QG2  THR  54           QG2      THR  54   5.734  -0.692  -7.311
  541    H    VAL  55           H        VAL  55   3.925   1.975  -4.396
  542    HA   VAL  55           HA       VAL  55   2.329   3.802  -6.133
  543    HB   VAL  55           HB       VAL  55   1.378   3.400  -3.921
  544   1HG1  VAL  55          3HG1      VAL  55   4.144   4.189  -2.978
  545   2HG1  VAL  55          2HG1      VAL  55   2.734   4.195  -1.911
  546   3HG1  VAL  55          1HG1      VAL  55   3.266   2.687  -2.662
  547   1HG2  VAL  55          3HG2      VAL  55   2.697   6.116  -4.188
  548   2HG2  VAL  55          2HG2      VAL  55   1.102   5.656  -4.777
  549   3HG2  VAL  55          1HG2      VAL  55   1.408   5.750  -3.041
  550    QG1  VAL  55           QG1      VAL  55   3.381   3.690  -2.517
  551    QG2  VAL  55           QG2      VAL  55   1.736   5.840  -4.002
  552    QQG  VAL  55           QQG      VAL  55   2.559   4.765  -3.260
  553    H    THR  56           H        THR  56   3.196   5.773  -6.706
  554    HA   THR  56           HA       THR  56   5.915   6.482  -5.722
  555    HB   THR  56           HB       THR  56   5.845   4.964  -7.809
  556    HG1  THR  56          1HG       THR  56   7.190   7.349  -8.397
  557   1HG2  THR  56          2HG2      THR  56   4.069   6.851  -8.767
  558   2HG2  THR  56          1HG2      THR  56   5.575   7.275  -9.584
  559   3HG2  THR  56          3HG2      THR  56   4.917   5.643  -9.737
  560    QG2  THR  56           QG2      THR  56   4.853   6.590  -9.363
  561    H    GLU  57           H        GLU  57   6.438   8.694  -7.196
  562    HA   GLU  57           HA       GLU  57   3.965  10.384  -6.964
  563   1HB   GLU  57          2HB       GLU  57   5.714  10.500  -5.087
  564   2HB   GLU  57          1HB       GLU  57   6.792  11.236  -6.272
  565   1HG   GLU  57          2HG       GLU  57   4.079  12.414  -6.150
  566   2HG   GLU  57          1HG       GLU  57   5.060  12.652  -4.706
  567    QB   GLU  57           QB       GLU  57   6.253  10.868  -5.679
  568    QG   GLU  57           QG       GLU  57   4.570  12.533  -5.428
   
  No H/Q in entry =         568
  Start of MODEL   26
    1   1H    MET   1          1HT       MET   1  -3.931 -14.964   6.701
    2   2H    MET   1          3HT       MET   1  -2.319 -15.471   6.552
    3   3H    MET   1          2HT       MET   1  -3.086 -15.517   8.068
    4    HA   MET   1           HA       MET   1  -3.162 -13.141   8.199
    5   1HB   MET   1          2HB       MET   1  -0.669 -14.647   7.551
    6   2HB   MET   1          1HB       MET   1  -0.531 -12.893   7.685
    7   1HG   MET   1          2HG       MET   1  -0.241 -13.421   9.904
    8   2HG   MET   1          1HG       MET   1  -2.003 -13.345   9.883
    9   1HE   MET   1          2HE       MET   1   1.108 -15.302   9.496
   10   2HE   MET   1          1HE       MET   1   0.734 -16.989   9.841
   11   3HE   MET   1          3HE       MET   1   0.314 -16.291   8.271
   12    QB   MET   1           QB       MET   1  -0.600 -13.770   7.618
   13    QG   MET   1           QG       MET   1  -1.122 -13.383   9.894
   14    QE   MET   1           QE       MET   1   0.718 -16.194   9.203
   15    H    THR   2           H        THR   2  -3.352 -11.211   7.084
   16    HA   THR   2           HA       THR   2  -2.927 -11.292   4.123
   17    HB   THR   2           HB       THR   2  -4.577  -9.435   5.866
   18    HG1  THR   2          1HG       THR   2  -6.307 -10.709   5.080
   19   1HG2  THR   2          3HG2      THR   2  -4.111  -9.714   2.925
   20   2HG2  THR   2          2HG2      THR   2  -5.719  -9.246   3.476
   21   3HG2  THR   2          1HG2      THR   2  -4.320  -8.254   3.891
   22    QG2  THR   2           QG2      THR   2  -4.717  -9.071   3.431
   23    H    THR   3           H        THR   3  -0.686 -10.829   5.945
   24    HA   THR   3           HA       THR   3  -0.075  -8.071   6.353
   25    HB   THR   3           HB       THR   3   1.848 -10.313   5.664
   26    HG1  THR   3          1HG       THR   3   0.757 -11.183   7.280
   27   1HG2  THR   3          2HG2      THR   3   2.387  -7.691   6.134
   28   2HG2  THR   3          1HG2      THR   3   2.403  -8.317   7.783
   29   3HG2  THR   3          3HG2      THR   3   3.484  -9.002   6.571
   30    QG2  THR   3           QG2      THR   3   2.758  -8.337   6.829
   31    H    PHE   4           H        PHE   4  -0.699  -6.890   4.467
   32    HA   PHE   4           HA       PHE   4   0.466  -7.559   1.848
   33   1HB   PHE   4          2HB       PHE   4  -1.512  -5.669   3.034
   34   2HB   PHE   4          1HB       PHE   4  -0.736  -5.160   1.534
   35    HD1  PHE   4          1HD       PHE   4  -0.418  -7.349  -0.133
   36    HD2  PHE   4          2HD       PHE   4  -3.572  -6.718   2.704
   37    HE1  PHE   4          1HE       PHE   4  -1.873  -8.878  -1.417
   38    HE2  PHE   4          2HE       PHE   4  -5.032  -8.254   1.414
   39   1HZ   PHE   4           HZ       PHE   4  -4.185  -9.334  -0.648
   40    QB   PHE   4           QB       PHE   4  -1.124  -5.415   2.284
   41    QG   PHE   4           QD       PHE   4  -1.995  -7.033   1.286
   42    QZ   PHE   4           QE       PHE   4  -3.452  -8.566  -0.001
   43    QZ   PHE   4           QR       PHE   4  -3.016  -8.106   0.384
   44    H    LYS   5           H        LYS   5   2.060  -6.299   0.786
   45    HA   LYS   5           HA       LYS   5   3.628  -4.488   2.579
   46   1HB   LYS   5          2HB       LYS   5   4.403  -6.054   0.090
   47   2HB   LYS   5          1HB       LYS   5   5.511  -5.110   1.084
   48   1HG   LYS   5          2HG       LYS   5   5.855  -7.045   2.217
   49   2HG   LYS   5          1HG       LYS   5   4.289  -6.721   2.961
   50   1HD   LYS   5          2HD       LYS   5   3.163  -8.052   1.244
   51   2HD   LYS   5          1HD       LYS   5   4.697  -8.318   0.413
   52   1HE   LYS   5          2HE       LYS   5   4.587  -9.063   3.305
   53   2HE   LYS   5          1HE       LYS   5   3.732 -10.115   2.159
   54   1HZ   LYS   5          2HZ       LYS   5   5.735 -10.145   0.777
   55   2HZ   LYS   5          1HZ       LYS   5   6.556  -9.211   1.934
   56   3HZ   LYS   5          3HZ       LYS   5   6.043 -10.781   2.322
   57    QB   LYS   5           QB       LYS   5   4.957  -5.582   0.587
   58    QG   LYS   5           QG       LYS   5   5.072  -6.883   2.589
   59    QD   LYS   5           QD       LYS   5   3.930  -8.185   0.829
   60    QE   LYS   5           QE       LYS   5   4.160  -9.589   2.732
   61    QZ   LYS   5           QZ       LYS   5   6.111 -10.046   1.678
   62    H    LEU   6           H        LEU   6   5.086  -3.018   0.798
   63    HA   LEU   6           HA       LEU   6   3.371  -1.969  -1.359
   64   1HB   LEU   6          2HB       LEU   6   2.384  -0.987   0.648
   65   2HB   LEU   6          1HB       LEU   6   3.966  -0.432   1.191
   66    HG   LEU   6           HG       LEU   6   4.080   0.912  -0.994
   67   1HD1  LEU   6          3HD1      LEU   6   1.203  -0.002  -1.005
   68   2HD1  LEU   6          2HD1      LEU   6   1.703   1.485  -1.812
   69   3HD1  LEU   6          1HD1      LEU   6   2.378  -0.064  -2.320
   70   1HD2  LEU   6          1HD2      LEU   6   3.356   1.670   1.426
   71   2HD2  LEU   6          3HD2      LEU   6   3.118   2.756   0.058
   72   3HD2  LEU   6          2HD2      LEU   6   1.763   1.821   0.684
   73    QB   LEU   6           QB       LEU   6   3.175  -0.710   0.920
   74    QD1  LEU   6           QD1      LEU   6   1.761   0.473  -1.713
   75    QD2  LEU   6           QD2      LEU   6   2.746   2.082   0.723
   76    QQD  LEU   6           QQD      LEU   6   2.254   1.278  -0.495
   77    H    ILE   7           H        ILE   7   4.933  -1.790  -2.923
   78    HA   ILE   7           HA       ILE   7   7.694  -0.975  -2.260
   79    HB   ILE   7           HB       ILE   7   6.260  -1.592  -4.874
   80   1HG1  ILE   7          2HG1      ILE   7   8.283  -3.376  -3.558
   81   2HG1  ILE   7          1HG1      ILE   7   6.622  -3.387  -2.964
   82   1HG2  ILE   7          2HG2      ILE   7   9.086  -0.884  -4.175
   83   2HG2  ILE   7          1HG2      ILE   7   8.808  -2.057  -5.463
   84   3HG2  ILE   7          3HG2      ILE   7   8.137  -0.430  -5.589
   85   1HD1  ILE   7          3HD1      ILE   7   7.426  -3.807  -5.857
   86   2HD1  ILE   7          2HD1      ILE   7   6.999  -5.098  -4.733
   87   3HD1  ILE   7          1HD1      ILE   7   5.790  -3.903  -5.206
   88    QG1  ILE   7           QG1      ILE   7   7.453  -3.381  -3.261
   89    QG2  ILE   7           QG2      ILE   7   8.677  -1.124  -5.076
   90    QD1  ILE   7           QD1      ILE   7   6.738  -4.269  -5.266
   91    H    ILE   8           H        ILE   8   8.129   1.203  -2.117
   92    HA   ILE   8           HA       ILE   8   6.203   3.102  -3.308
   93    HB   ILE   8           HB       ILE   8   8.654   3.840  -1.726
   94   1HG1  ILE   8          2HG1      ILE   8   7.354   1.994  -0.516
   95   2HG1  ILE   8          1HG1      ILE   8   7.522   3.498   0.366
   96   1HG2  ILE   8          1HG2      ILE   8   6.009   5.038  -2.449
   97   2HG2  ILE   8          3HG2      ILE   8   6.752   5.519  -0.922
   98   3HG2  ILE   8          2HG2      ILE   8   7.615   5.780  -2.437
   99   1HD1  ILE   8          2HD1      ILE   8   5.089   2.700  -1.248
  100   2HD1  ILE   8          1HD1      ILE   8   5.222   2.564   0.503
  101   3HD1  ILE   8          3HD1      ILE   8   5.253   4.156  -0.260
  102    QG1  ILE   8           QG1      ILE   8   7.438   2.746  -0.075
  103    QG2  ILE   8           QG2      ILE   8   6.792   5.446  -1.936
  104    QD1  ILE   8           QD1      ILE   8   5.188   3.140  -0.335
  105    H    ASN   9           H        ASN   9   6.611   3.736  -5.392
  106    HA   ASN   9           HA       ASN   9   9.434   3.799  -6.366
  107   1HB   ASN   9          2HB       ASN   9   7.664   2.481  -7.548
  108   2HB   ASN   9          1HB       ASN   9   6.788   3.984  -7.841
  109   1HD2  ASN   9          2HD2      ASN   9   9.080   5.138 -10.338
  110   2HD2  ASN   9          1HD2      ASN   9   7.915   5.643  -9.212
  111    QB   ASN   9           QB       ASN   9   7.226   3.233  -7.694
  112    QD2  ASN   9           QD2      ASN   9   8.498   5.391  -9.775
  113    H    GLY  10           H        GLY  10  10.319   5.729  -7.190
  114   1HA   GLY  10          2HA       GLY  10   9.736   8.027  -8.142
  115   2HA   GLY  10          1HA       GLY  10   8.694   8.201  -6.730
  116    QA   GLY  10           QA       GLY  10   9.215   8.114  -7.436
  117    H    LYS  11           H        LYS  11   9.699   9.776  -5.544
  118    HA   LYS  11           HA       LYS  11  12.536   9.263  -4.722
  119   1HB   LYS  11          2HB       LYS  11  12.858  11.732  -4.858
  120   2HB   LYS  11          1HB       LYS  11  12.430  11.036  -6.420
  121   1HG   LYS  11          2HG       LYS  11  10.054  11.670  -6.019
  122   2HG   LYS  11          1HG       LYS  11  10.538  12.439  -4.508
  123   1HD   LYS  11          2HD       LYS  11  11.758  13.176  -7.178
  124   2HD   LYS  11          1HD       LYS  11  10.338  13.993  -6.522
  125   1HE   LYS  11          2HE       LYS  11  11.929  14.151  -4.353
  126   2HE   LYS  11          1HE       LYS  11  13.175  14.125  -5.616
  127   1HZ   LYS  11          1HZ       LYS  11  11.932  15.849  -6.802
  128   2HZ   LYS  11          3HZ       LYS  11  10.801  15.913  -5.539
  129   3HZ   LYS  11          2HZ       LYS  11  12.410  16.382  -5.260
  130    QB   LYS  11           QB       LYS  11  12.644  11.384  -5.639
  131    QG   LYS  11           QG       LYS  11  10.296  12.055  -5.264
  132    QD   LYS  11           QD       LYS  11  11.048  13.585  -6.850
  133    QE   LYS  11           QE       LYS  11  12.552  14.138  -4.985
  134    QZ   LYS  11           QZ       LYS  11  11.714  16.048  -5.867
  135    H    THR  12           H        THR  12   9.904   8.696  -3.408
  136    HA   THR  12           HA       THR  12  10.409  10.183  -0.862
  137    HB   THR  12           HB       THR  12   7.826  10.243  -0.720
  138    HG1  THR  12          1HG       THR  12   8.106   9.994  -3.527
  139   1HG2  THR  12          1HG2      THR  12   9.621  12.088  -1.499
  140   2HG2  THR  12          3HG2      THR  12   8.686  11.962  -2.990
  141   3HG2  THR  12          2HG2      THR  12   7.886  12.403  -1.482
  142    QG2  THR  12           QG2      THR  12   8.731  12.151  -1.990
  143    H    LEU  13           H        LEU  13   9.968   8.946   0.991
  144    HA   LEU  13           HA       LEU  13   9.672   7.012   2.294
  145   1HB   LEU  13          2HB       LEU  13   7.665   6.912   0.127
  146   2HB   LEU  13          1HB       LEU  13   8.014   5.351   0.859
  147    HG   LEU  13           HG       LEU  13   7.240   7.864   2.362
  148   1HD1  LEU  13          2HD1      LEU  13   5.703   5.638   1.150
  149   2HD1  LEU  13          1HD1      LEU  13   5.295   5.979   2.834
  150   3HD1  LEU  13          3HD1      LEU  13   5.169   7.254   1.625
  151   1HD2  LEU  13          2HD2      LEU  13   8.011   5.069   3.192
  152   2HD2  LEU  13          1HD2      LEU  13   8.523   6.610   3.884
  153   3HD2  LEU  13          3HD2      LEU  13   6.893   6.005   4.186
  154    QB   LEU  13           QB       LEU  13   7.839   6.132   0.493
  155    QD1  LEU  13           QD1      LEU  13   5.389   6.290   1.869
  156    QD2  LEU  13           QD2      LEU  13   7.809   5.895   3.754
  157    QQD  LEU  13           QQD      LEU  13   6.599   6.092   2.812
  158    H    LYS  14           H        LYS  14   9.382   5.460  -0.897
  159    HA   LYS  14           HA       LYS  14  10.636   3.724  -1.884
  160   1HB   LYS  14          2HB       LYS  14  12.794   5.269  -0.409
  161   2HB   LYS  14          1HB       LYS  14  13.109   4.061  -1.653
  162   1HG   LYS  14          2HG       LYS  14  11.193   5.792  -2.783
  163   2HG   LYS  14          1HG       LYS  14  12.338   6.848  -1.958
  164   1HD   LYS  14          2HD       LYS  14  13.203   4.624  -3.820
  165   2HD   LYS  14          1HD       LYS  14  12.929   6.279  -4.364
  166   1HE   LYS  14          2HE       LYS  14  14.715   5.825  -1.989
  167   2HE   LYS  14          1HE       LYS  14  15.357   5.548  -3.621
  168   1HZ   LYS  14          2HZ       LYS  14  14.384   7.745  -4.235
  169   2HZ   LYS  14          1HZ       LYS  14  14.070   8.016  -2.587
  170   3HZ   LYS  14          3HZ       LYS  14  15.668   7.840  -3.127
  171    QB   LYS  14           QB       LYS  14  12.952   4.665  -1.031
  172    QG   LYS  14           QG       LYS  14  11.765   6.320  -2.371
  173    QD   LYS  14           QD       LYS  14  13.066   5.452  -4.092
  174    QE   LYS  14           QE       LYS  14  15.036   5.686  -2.805
  175    QZ   LYS  14           QZ       LYS  14  14.707   7.867  -3.317
  176    H    GLY  15           H        GLY  15   9.877   1.866  -0.830
  177   1HA   GLY  15          2HA       GLY  15  11.619   0.299   0.707
  178   2HA   GLY  15          1HA       GLY  15  10.601   1.149   1.870
  179    QA   GLY  15           QA       GLY  15  11.110   0.724   1.288
  180    H    GLU  16           H        GLU  16  10.266  -1.452   2.010
  181    HA   GLU  16           HA       GLU  16   7.676  -1.990   0.593
  182   1HB   GLU  16          2HB       GLU  16  10.239  -3.529   0.720
  183   2HB   GLU  16          1HB       GLU  16   8.734  -4.449   0.736
  184   1HG   GLU  16          2HG       GLU  16   8.007  -3.189  -1.306
  185   2HG   GLU  16          1HG       GLU  16   9.602  -2.439  -1.358
  186    QB   GLU  16           QB       GLU  16   9.486  -3.989   0.728
  187    QG   GLU  16           QG       GLU  16   8.805  -2.814  -1.332
  188    H    ILE  17           H        ILE  17   7.533  -0.965   3.087
  189    HA   ILE  17           HA       ILE  17   7.825  -2.698   5.325
  190    HB   ILE  17           HB       ILE  17   6.107  -1.183   6.329
  191   1HG1  ILE  17          2HG1      ILE  17   5.960   0.241   3.680
  192   2HG1  ILE  17          1HG1      ILE  17   4.855  -1.089   4.022
  193   1HG2  ILE  17          3HG2      ILE  17   8.365  -0.087   4.671
  194   2HG2  ILE  17          2HG2      ILE  17   7.341   1.003   5.605
  195   3HG2  ILE  17          1HG2      ILE  17   8.260  -0.261   6.422
  196   1HD1  ILE  17          1HD1      ILE  17   4.285   0.106   6.198
  197   2HD1  ILE  17          3HD1      ILE  17   5.167   1.496   5.563
  198   3HD1  ILE  17          2HD1      ILE  17   3.731   0.905   4.726
  199    QG1  ILE  17           QG1      ILE  17   5.408  -0.424   3.851
  200    QG2  ILE  17           QG2      ILE  17   7.989   0.218   5.566
  201    QD1  ILE  17           QD1      ILE  17   4.394   0.836   5.496
  202    H    THR  18           H        THR  18   5.938  -3.739   6.523
  203    HA   THR  18           HA       THR  18   3.936  -4.906   4.613
  204    HB   THR  18           HB       THR  18   4.294  -7.045   5.816
  205    HG1  THR  18          1HG       THR  18   4.943  -6.427   7.797
  206   1HG2  THR  18          2HG2      THR  18   5.984  -5.877   3.967
  207   2HG2  THR  18          1HG2      THR  18   7.095  -6.384   5.240
  208   3HG2  THR  18          3HG2      THR  18   6.037  -7.567   4.469
  209    QG2  THR  18           QG2      THR  18   6.372  -6.609   4.559
  210    H    ILE  19           H        ILE  19   1.837  -4.991   5.407
  211    HA   ILE  19           HA       ILE  19   1.407  -4.465   8.321
  212    HB   ILE  19           HB       ILE  19  -0.264  -2.744   7.728
  213   1HG1  ILE  19          2HG1      ILE  19   0.137  -1.993   5.156
  214   2HG1  ILE  19          1HG1      ILE  19   0.352  -3.735   4.990
  215   1HG2  ILE  19          1HG2      ILE  19   2.342  -2.359   7.897
  216   2HG2  ILE  19          3HG2      ILE  19   2.189  -1.986   6.180
  217   3HG2  ILE  19          2HG2      ILE  19   1.285  -1.050   7.370
  218   1HD1  ILE  19          1HD1      ILE  19  -1.858  -3.730   6.528
  219   2HD1  ILE  19          3HD1      ILE  19  -2.090  -2.184   5.711
  220   3HD1  ILE  19          2HD1      ILE  19  -1.936  -3.667   4.767
  221    QG1  ILE  19           QG1      ILE  19   0.244  -2.864   5.073
  222    QG2  ILE  19           QG2      ILE  19   1.939  -1.799   7.149
  223    QD1  ILE  19           QD1      ILE  19  -1.961  -3.194   5.669
  224    H    GLU  20           H        GLU  20  -0.316  -5.592   9.176
  225    HA   GLU  20           HA       GLU  20  -1.604  -7.650   7.541
  226   1HB   GLU  20          2HB       GLU  20  -1.226  -6.915  10.357
  227   2HB   GLU  20          1HB       GLU  20  -2.845  -7.538  10.039
  228   1HG   GLU  20          2HG       GLU  20  -1.413  -9.343   8.641
  229   2HG   GLU  20          1HG       GLU  20  -0.215  -8.921   9.866
  230    QB   GLU  20           QB       GLU  20  -2.035  -7.227  10.198
  231    QG   GLU  20           QG       GLU  20  -0.814  -9.132   9.253
  232    H    ALA  21           H        ALA  21  -3.549  -7.408   6.500
  233    HA   ALA  21           HA       ALA  21  -5.413  -5.254   7.433
  234   1HB   ALA  21          1HB       ALA  21  -4.004  -4.531   5.509
  235   2HB   ALA  21          3HB       ALA  21  -4.604  -5.907   4.582
  236   3HB   ALA  21          2HB       ALA  21  -5.712  -4.627   5.076
  237    QB   ALA  21           QB       ALA  21  -4.773  -5.022   5.056
  238    H    VAL  22           H        VAL  22  -7.347  -5.659   5.515
  239    HA   VAL  22           HA       VAL  22  -8.499  -8.232   6.307
  240    HB   VAL  22           HB       VAL  22  -9.839  -6.314   4.487
  241   1HG1  VAL  22          1HG1      VAL  22 -10.591  -8.223   6.650
  242   2HG1  VAL  22          3HG1      VAL  22 -11.680  -6.882   6.292
  243   3HG1  VAL  22          2HG1      VAL  22 -11.265  -8.042   5.029
  244   1HG2  VAL  22          3HG2      VAL  22  -9.221  -5.734   7.384
  245   2HG2  VAL  22          2HG2      VAL  22  -8.981  -4.683   5.984
  246   3HG2  VAL  22          1HG2      VAL  22 -10.614  -5.020   6.568
  247    QG1  VAL  22           QG1      VAL  22 -11.178  -7.716   5.990
  248    QG2  VAL  22           QG2      VAL  22  -9.606  -5.146   6.645
  249    QQG  VAL  22           QQG      VAL  22 -10.392  -6.431   6.318
  250    H    ASP  23           H        ASP  23  -8.199  -6.353   3.352
  251    HA   ASP  23           HA       ASP  23  -7.391  -8.765   1.807
  252   1HB   ASP  23          2HB       ASP  23  -9.895  -7.132   1.588
  253   2HB   ASP  23          1HB       ASP  23  -9.151  -7.681   0.086
  254    QB   ASP  23           QB       ASP  23  -9.523  -7.406   0.837
  255    H    ALA  24           H        ALA  24  -7.083  -7.689  -0.656
  256    HA   ALA  24           HA       ALA  24  -4.898  -5.863  -0.389
  257   1HB   ALA  24          3HB       ALA  24  -6.701  -6.574  -2.726
  258   2HB   ALA  24          2HB       ALA  24  -5.204  -5.649  -2.885
  259   3HB   ALA  24          1HB       ALA  24  -5.158  -7.322  -2.316
  260    QB   ALA  24           QB       ALA  24  -5.688  -6.515  -2.642
  261    H    ALA  25           H        ALA  25  -8.349  -5.364  -1.018
  262    HA   ALA  25           HA       ALA  25  -8.364  -2.653  -1.777
  263   1HB   ALA  25          3HB       ALA  25 -10.277  -4.263  -1.768
  264   2HB   ALA  25          2HB       ALA  25 -10.337  -4.131  -0.010
  265   3HB   ALA  25          1HB       ALA  25 -10.688  -2.723  -1.013
  266    QB   ALA  25           QB       ALA  25 -10.434  -3.706  -0.930
  267    H    GLU  26           H        GLU  26  -8.815  -3.963   1.527
  268    HA   GLU  26           HA       GLU  26  -8.759  -1.440   2.877
  269   1HB   GLU  26          2HB       GLU  26  -8.598  -4.325   3.484
  270   2HB   GLU  26          1HB       GLU  26  -7.817  -3.296   4.687
  271   1HG   GLU  26          2HG       GLU  26 -10.478  -2.383   3.728
  272   2HG   GLU  26          1HG       GLU  26 -10.474  -3.842   4.717
  273    QB   GLU  26           QB       GLU  26  -8.208  -3.810   4.086
  274    QG   GLU  26           QG       GLU  26 -10.476  -3.113   4.223
  275    H    ALA  27           H        ALA  27  -6.144  -3.897   2.606
  276    HA   ALA  27           HA       ALA  27  -4.025  -2.467   3.774
  277   1HB   ALA  27          3HB       ALA  27  -4.340  -4.550   1.673
  278   2HB   ALA  27          2HB       ALA  27  -2.770  -3.740   1.732
  279   3HB   ALA  27          1HB       ALA  27  -3.384  -4.587   3.157
  280    QB   ALA  27           QB       ALA  27  -3.498  -4.292   2.187
  281    H    GLU  28           H        GLU  28  -5.194  -2.265   0.397
  282    HA   GLU  28           HA       GLU  28  -3.227  -0.438  -0.582
  283   1HB   GLU  28          2HB       GLU  28  -5.071  -1.826  -1.782
  284   2HB   GLU  28          1HB       GLU  28  -6.129  -0.461  -1.427
  285   1HG   GLU  28          2HG       GLU  28  -3.985   0.851  -2.445
  286   2HG   GLU  28          1HG       GLU  28  -3.861  -0.668  -3.335
  287    QB   GLU  28           QB       GLU  28  -5.600  -1.143  -1.605
  288    QG   GLU  28           QG       GLU  28  -3.923   0.092  -2.890
  289    H    LYS  29           H        LYS  29  -6.259   0.065   1.219
  290    HA   LYS  29           HA       LYS  29  -6.235   2.969   0.984
  291   1HB   LYS  29          2HB       LYS  29  -7.582   0.974   2.830
  292   2HB   LYS  29          1HB       LYS  29  -7.887   2.708   2.911
  293   1HG   LYS  29          2HG       LYS  29  -8.200   2.269   0.236
  294   2HG   LYS  29          1HG       LYS  29  -8.766   0.733   0.889
  295   1HD   LYS  29          2HD       LYS  29 -10.707   2.081   0.856
  296   2HD   LYS  29          1HD       LYS  29 -10.159   2.170   2.530
  297   1HE   LYS  29          2HE       LYS  29 -10.355   4.436   2.182
  298   2HE   LYS  29          1HE       LYS  29  -8.760   4.248   1.425
  299   1HZ   LYS  29          3HZ       LYS  29 -11.353   3.921   0.011
  300   2HZ   LYS  29          2HZ       LYS  29 -10.384   5.313  -0.068
  301   3HZ   LYS  29          1HZ       LYS  29  -9.810   3.839  -0.686
  302    QB   LYS  29           QB       LYS  29  -7.734   1.841   2.870
  303    QG   LYS  29           QG       LYS  29  -8.483   1.501   0.563
  304    QD   LYS  29           QD       LYS  29 -10.433   2.125   1.693
  305    QE   LYS  29           QE       LYS  29  -9.558   4.342   1.803
  306    QZ   LYS  29           QZ       LYS  29 -10.516   4.358  -0.248
  307    H    ILE  30           H        ILE  30  -5.267   0.646   3.528
  308    HA   ILE  30           HA       ILE  30  -4.287   2.525   5.451
  309    HB   ILE  30           HB       ILE  30  -3.369  -0.295   4.753
  310   1HG1  ILE  30          2HG1      ILE  30  -5.264   0.489   6.968
  311   2HG1  ILE  30          1HG1      ILE  30  -5.860   0.169   5.340
  312   1HG2  ILE  30          3HG2      ILE  30  -2.017   1.362   6.381
  313   2HG2  ILE  30          2HG2      ILE  30  -3.238   0.806   7.524
  314   3HG2  ILE  30          1HG2      ILE  30  -2.181  -0.359   6.727
  315   1HD1  ILE  30          1HD1      ILE  30  -3.986  -1.892   6.234
  316   2HD1  ILE  30          3HD1      ILE  30  -5.375  -1.744   7.313
  317   3HD1  ILE  30          2HD1      ILE  30  -5.623  -2.064   5.597
  318    QG1  ILE  30           QG1      ILE  30  -5.562   0.329   6.154
  319    QG2  ILE  30           QG2      ILE  30  -2.479   0.603   6.877
  320    QD1  ILE  30           QD1      ILE  30  -4.995  -1.900   6.381
  321    H    PHE  31           H        PHE  31  -2.848   0.998   2.619
  322    HA   PHE  31           HA       PHE  31  -0.183   2.135   2.997
  323   1HB   PHE  31          2HB       PHE  31  -1.706   0.545   0.956
  324   2HB   PHE  31          1HB       PHE  31  -0.217   1.341   0.444
  325    HD1  PHE  31          2HD       PHE  31   1.617   1.174   2.574
  326    HD2  PHE  31          1HD       PHE  31  -1.359  -1.709   1.435
  327    HE1  PHE  31          2HE       PHE  31   2.960  -0.623   3.627
  328    HE2  PHE  31          1HE       PHE  31  -0.011  -3.509   2.488
  329   1HZ   PHE  31           HZ       PHE  31   2.148  -2.963   3.585
  330    QB   PHE  31           QB       PHE  31  -0.961   0.943   0.700
  331    QG   PHE  31           QD       PHE  31   0.129  -0.267   2.004
  332    QZ   PHE  31           QE       PHE  31   1.475  -2.066   3.057
  333    QZ   PHE  31           QR       PHE  31   1.071  -1.526   2.742
  334    H    LYS  32           H        LYS  32  -3.112   2.932   1.183
  335    HA   LYS  32           HA       LYS  32  -1.946   5.144  -0.270
  336   1HB   LYS  32          2HB       LYS  32  -4.676   3.996   0.170
  337   2HB   LYS  32          1HB       LYS  32  -4.501   5.561  -0.620
  338   1HG   LYS  32          2HG       LYS  32  -3.091   4.623  -2.335
  339   2HG   LYS  32          1HG       LYS  32  -3.024   3.071  -1.503
  340   1HD   LYS  32          2HD       LYS  32  -4.696   2.611  -3.030
  341   2HD   LYS  32          1HD       LYS  32  -5.679   3.264  -1.719
  342   1HE   LYS  32          2HE       LYS  32  -4.973   5.562  -3.047
  343   2HE   LYS  32          1HE       LYS  32  -5.121   4.404  -4.385
  344   1HZ   LYS  32          1HZ       LYS  32  -7.245   3.671  -3.406
  345   2HZ   LYS  32          3HZ       LYS  32  -7.126   4.906  -2.250
  346   3HZ   LYS  32          2HZ       LYS  32  -7.283   5.298  -3.895
  347    QB   LYS  32           QB       LYS  32  -4.588   4.778  -0.225
  348    QG   LYS  32           QG       LYS  32  -3.057   3.847  -1.919
  349    QD   LYS  32           QD       LYS  32  -5.187   2.937  -2.374
  350    QE   LYS  32           QE       LYS  32  -5.047   4.983  -3.716
  351    QZ   LYS  32           QZ       LYS  32  -7.218   4.625  -3.183
  352    H    GLN  33           H        GLN  33  -2.608   4.863   2.982
  353    HA   GLN  33           HA       GLN  33  -3.467   7.741   3.254
  354   1HB   GLN  33          2HB       GLN  33  -4.884   6.017   4.364
  355   2HB   GLN  33          1HB       GLN  33  -3.459   5.380   5.188
  356   1HG   GLN  33          2HG       GLN  33  -3.255   7.261   6.568
  357   2HG   GLN  33          1HG       GLN  33  -4.190   8.283   5.477
  358   1HE2  GLN  33          2HE2      GLN  33  -6.215   6.966   8.488
  359   2HE2  GLN  33          1HE2      GLN  33  -4.613   7.522   8.434
  360    QB   GLN  33           QB       GLN  33  -4.172   5.698   4.776
  361    QG   GLN  33           QG       GLN  33  -3.722   7.772   6.023
  362    QE2  GLN  33           QE2      GLN  33  -5.414   7.244   8.461
  363    H    TYR  34           H        TYR  34  -1.367   5.191   4.362
  364    HA   TYR  34           HA       TYR  34   0.564   6.502   5.938
  365   1HB   TYR  34          2HB       TYR  34   0.514   4.152   5.810
  366   2HB   TYR  34          1HB       TYR  34   0.305   4.163   4.054
  367    HD1  TYR  34          2HD       TYR  34   2.849   5.402   6.565
  368    HD2  TYR  34          1HD       TYR  34   2.136   3.339   2.866
  369    HE1  TYR  34          2HE       TYR  34   5.287   5.030   6.303
  370    HE2  TYR  34          1HE       TYR  34   4.574   2.966   2.605
  371    HH   TYR  34           HH       TYR  34   6.642   2.874   4.588
  372    QB   TYR  34           QB       TYR  34   0.410   4.157   4.932
  373    QG   TYR  34           QD       TYR  34   2.492   4.371   4.715
  374    QZ   TYR  34           QE       TYR  34   4.931   3.998   4.454
  375    QR   TYR  34           QR       TYR  34   3.711   4.184   4.585
  376    H    ALA  35           H        ALA  35   0.177   6.267   2.429
  377    HA   ALA  35           HA       ALA  35   2.701   7.489   1.643
  378   1HB   ALA  35          3HB       ALA  35   0.061   6.753   0.425
  379   2HB   ALA  35          2HB       ALA  35   1.116   7.849  -0.470
  380   3HB   ALA  35          1HB       ALA  35   1.685   6.237  -0.031
  381    QB   ALA  35           QB       ALA  35   0.954   6.946  -0.025
  382    H    ASN  36           H        ASN  36  -0.667   8.710   1.755
  383    HA   ASN  36           HA       ASN  36  -0.134  11.409   1.030
  384   1HB   ASN  36          2HB       ASN  36  -2.250   9.925   2.542
  385   2HB   ASN  36          1HB       ASN  36  -2.305  11.686   2.504
  386   1HD2  ASN  36          2HD2      ASN  36  -2.731   9.682  -1.072
  387   2HD2  ASN  36          1HD2      ASN  36  -1.815   8.967   0.163
  388    QB   ASN  36           QB       ASN  36  -2.278  10.806   2.523
  389    QD2  ASN  36           QD2      ASN  36  -2.273   9.324  -0.454
  390    H    ASP  37           H        ASP  37  -0.393   9.932   4.272
  391    HA   ASP  37           HA       ASP  37   0.038  12.230   5.850
  392   1HB   ASP  37          2HB       ASP  37  -0.370   9.572   6.254
  393   2HB   ASP  37          1HB       ASP  37   1.325   9.709   6.722
  394    QB   ASP  37           QB       ASP  37   0.478   9.641   6.488
  395    H    ASN  38           H        ASN  38   2.305  10.470   3.912
  396    HA   ASN  38           HA       ASN  38   4.593  11.862   5.151
  397   1HB   ASN  38          2HB       ASN  38   4.605   9.385   4.915
  398   2HB   ASN  38          1HB       ASN  38   4.470   9.579   3.166
  399   1HD2  ASN  38          2HD2      ASN  38   8.097   9.778   4.845
  400   2HD2  ASN  38          1HD2      ASN  38   6.724   9.187   5.649
  401    QB   ASN  38           QB       ASN  38   4.538   9.482   4.041
  402    QD2  ASN  38           QD2      ASN  38   7.410   9.482   5.247
  403    H    GLY  39           H        GLY  39   2.819  11.488   2.127
  404   1HA   GLY  39          2HA       GLY  39   2.770  13.548   0.682
  405   2HA   GLY  39          1HA       GLY  39   4.511  13.654   0.940
  406    QA   GLY  39           QA       GLY  39   3.641  13.601   0.811
  407    H    ILE  40           H        ILE  40   2.751  10.646   0.333
  408    HA   ILE  40           HA       ILE  40   4.383  10.269  -2.137
  409    HB   ILE  40           HB       ILE  40   3.204   8.596   0.029
  410   1HG1  ILE  40          2HG1      ILE  40   5.402   7.413  -0.338
  411   2HG1  ILE  40          1HG1      ILE  40   5.764   8.639  -1.556
  412   1HG2  ILE  40          3HG2      ILE  40   2.220   7.626  -2.096
  413   2HG2  ILE  40          2HG2      ILE  40   3.873   7.345  -2.639
  414   3HG2  ILE  40          1HG2      ILE  40   3.267   6.539  -1.189
  415   1HD1  ILE  40          1HD1      ILE  40   4.908   9.364   1.240
  416   2HD1  ILE  40          3HD1      ILE  40   6.606   9.118   0.814
  417   3HD1  ILE  40          2HD1      ILE  40   5.675  10.396   0.025
  418    QG1  ILE  40           QG1      ILE  40   5.583   8.026  -0.947
  419    QG2  ILE  40           QG2      ILE  40   3.120   7.170  -1.975
  420    QD1  ILE  40           QD1      ILE  40   5.730   9.626   0.693
  421    H    ASP  41           H        ASP  41   3.286  10.981  -3.887
  422    HA   ASP  41           HA       ASP  41   0.485  10.023  -4.305
  423   1HB   ASP  41          2HB       ASP  41  -0.139  12.334  -5.008
  424   2HB   ASP  41          1HB       ASP  41   0.361  12.262  -3.318
  425    QB   ASP  41           QB       ASP  41   0.111  12.298  -4.163
  426    H    GLY  42           H        GLY  42   0.693   8.839  -6.154
  427   1HA   GLY  42          2HA       GLY  42   1.464  10.125  -8.637
  428   2HA   GLY  42          1HA       GLY  42   2.646   8.921  -8.131
  429    QA   GLY  42           QA       GLY  42   2.055   9.523  -8.384
  430    H    GLU  43           H        GLU  43   2.233   6.817  -8.699
  431    HA   GLU  43           HA       GLU  43  -0.509   6.189  -9.756
  432   1HB   GLU  43          2HB       GLU  43   2.033   5.951 -10.844
  433   2HB   GLU  43          1HB       GLU  43   1.695   4.312 -10.287
  434   1HG   GLU  43          2HG       GLU  43   0.833   4.401 -12.502
  435   2HG   GLU  43          1HG       GLU  43  -0.578   4.554 -11.456
  436    QB   GLU  43           QB       GLU  43   1.864   5.131 -10.565
  437    QG   GLU  43           QG       GLU  43   0.127   4.478 -11.979
  438    H    TRP  44           H        TRP  44  -0.877   3.632  -9.541
  439    HA   TRP  44           HA       TRP  44   0.090   2.476  -6.971
  440   1HB   TRP  44          2HB       TRP  44  -2.662   3.586  -7.510
  441   2HB   TRP  44          1HB       TRP  44  -2.498   2.160  -6.481
  442    HD1  TRP  44           HD       TRP  44  -1.720   5.881  -6.585
  443    HE1  TRP  44          1HE       TRP  44  -0.986   6.625  -4.228
  444    HE3  TRP  44          3HE       TRP  44  -1.407   1.332  -4.320
  445    HZ2  TRP  44          2HZ       TRP  44  -0.344   5.434  -1.705
  446    HZ3  TRP  44          3HZ       TRP  44  -0.728   1.160  -1.932
  447    HH2  TRP  44           HH       TRP  44  -0.195   3.207  -0.631
  448    QB   TRP  44           QB       TRP  44  -2.580   2.873  -6.996
  449    H    THR  45           H        THR  45   0.288   0.304  -7.298
  450    HA   THR  45           HA       THR  45  -1.619  -1.068  -9.140
  451    HB   THR  45           HB       THR  45   0.110  -2.016 -10.455
  452    HG1  THR  45          1HG       THR  45   1.698  -2.659  -9.238
  453   1HG2  THR  45          3HG2      THR  45  -0.225   0.376 -10.953
  454   2HG2  THR  45          2HG2      THR  45   1.046   0.785  -9.799
  455   3HG2  THR  45          1HG2      THR  45   1.440  -0.118 -11.264
  456    QG2  THR  45           QG2      THR  45   0.754   0.347 -10.672
  457    H    TYR  46           H        TYR  46  -2.246  -2.993  -8.295
  458    HA   TYR  46           HA       TYR  46  -0.909  -3.912  -5.799
  459   1HB   TYR  46          2HB       TYR  46  -3.291  -3.519  -5.661
  460   2HB   TYR  46          1HB       TYR  46  -3.588  -4.488  -7.106
  461    HD1  TYR  46          2HD       TYR  46  -1.662  -4.933  -3.908
  462    HD2  TYR  46          1HD       TYR  46  -4.526  -6.574  -6.656
  463    HE1  TYR  46          2HE       TYR  46  -1.816  -6.980  -2.521
  464    HE2  TYR  46          1HE       TYR  46  -4.676  -8.626  -5.272
  465    HH   TYR  46           HH       TYR  46  -4.248  -9.135  -2.697
  466    QB   TYR  46           QB       TYR  46  -3.440  -4.004  -6.383
  467    QG   TYR  46           QD       TYR  46  -3.094  -5.754  -5.282
  468    QZ   TYR  46           QE       TYR  46  -3.246  -7.803  -3.896
  469    QR   TYR  46           QR       TYR  46  -3.170  -6.779  -4.589
  470    H    ASP  47           H        ASP  47   0.222  -5.819  -5.745
  471    HA   ASP  47           HA       ASP  47   0.356  -7.434  -8.257
  472   1HB   ASP  47          2HB       ASP  47   2.177  -7.219  -5.834
  473   2HB   ASP  47          1HB       ASP  47   2.506  -8.205  -7.258
  474    QB   ASP  47           QB       ASP  47   2.342  -7.712  -6.546
  475    H    ASP  48           H        ASP  48  -1.378  -8.876  -7.990
  476    HA   ASP  48           HA       ASP  48  -2.054 -10.146  -5.484
  477   1HB   ASP  48          2HB       ASP  48  -3.576 -11.446  -6.915
  478   2HB   ASP  48          1HB       ASP  48  -3.613  -9.744  -7.366
  479    QB   ASP  48           QB       ASP  48  -3.594 -10.595  -7.140
  480    H    ALA  49           H        ALA  49   0.605 -10.682  -7.483
  481    HA   ALA  49           HA       ALA  49   0.724 -13.608  -7.054
  482   1HB   ALA  49          1HB       ALA  49   1.435 -12.005  -9.115
  483   2HB   ALA  49          3HB       ALA  49   2.965 -12.045  -8.240
  484   3HB   ALA  49          2HB       ALA  49   2.229 -13.548  -8.797
  485    QB   ALA  49           QB       ALA  49   2.210 -12.533  -8.717
  486    H    THR  50           H        THR  50   2.027 -10.600  -5.785
  487    HA   THR  50           HA       THR  50   3.686 -12.192  -3.864
  488    HB   THR  50           HB       THR  50   5.272 -10.246  -3.993
  489    HG1  THR  50          1HG       THR  50   3.870  -8.679  -4.737
  490   1HG2  THR  50          3HG2      THR  50   4.706 -12.235  -6.039
  491   2HG2  THR  50          2HG2      THR  50   5.476 -10.804  -6.726
  492   3HG2  THR  50          1HG2      THR  50   6.261 -11.683  -5.416
  493    QG2  THR  50           QG2      THR  50   5.481 -11.574  -6.060
  494    H    LYS  51           H        LYS  51   0.953 -10.355  -4.116
  495    HA   LYS  51           HA       LYS  51  -0.291  -9.059  -2.593
  496   1HB   LYS  51          2HB       LYS  51   1.689 -10.282  -0.634
  497   2HB   LYS  51          1HB       LYS  51   0.098  -9.635  -0.237
  498   1HG   LYS  51          2HG       LYS  51   0.508 -11.917  -2.187
  499   2HG   LYS  51          1HG       LYS  51   0.203 -12.164  -0.467
  500   1HD   LYS  51          2HD       LYS  51  -1.908 -10.898  -0.660
  501   2HD   LYS  51          1HD       LYS  51  -1.609 -10.667  -2.383
  502   1HE   LYS  51          2HE       LYS  51  -1.587 -13.155  -2.675
  503   2HE   LYS  51          1HE       LYS  51  -2.036 -13.321  -0.967
  504   1HZ   LYS  51          3HZ       LYS  51  -3.909 -11.766  -1.443
  505   2HZ   LYS  51          2HZ       LYS  51  -3.547 -11.907  -3.097
  506   3HZ   LYS  51          1HZ       LYS  51  -4.046 -13.270  -2.214
  507    QB   LYS  51           QB       LYS  51   0.893  -9.958  -0.435
  508    QG   LYS  51           QG       LYS  51   0.356 -12.040  -1.327
  509    QD   LYS  51           QD       LYS  51  -1.759 -10.783  -1.521
  510    QE   LYS  51           QE       LYS  51  -1.812 -13.238  -1.821
  511    QZ   LYS  51           QZ       LYS  51  -3.834 -12.314  -2.251
  512    H    THR  52           H        THR  52   1.786  -7.705  -3.957
  513    HA   THR  52           HA       THR  52   2.654  -5.734  -1.856
  514    HB   THR  52           HB       THR  52   4.224  -6.470  -4.332
  515    HG1  THR  52          1HG       THR  52   5.173  -8.055  -3.217
  516   1HG2  THR  52          2HG2      THR  52   4.863  -5.135  -1.694
  517   2HG2  THR  52          1HG2      THR  52   6.100  -5.659  -2.838
  518   3HG2  THR  52          3HG2      THR  52   4.934  -4.420  -3.305
  519    QG2  THR  52           QG2      THR  52   5.299  -5.071  -2.612
  520    H    PHE  53           H        PHE  53   1.856  -3.719  -2.285
  521    HA   PHE  53           HA       PHE  53   0.602  -3.113  -4.864
  522   1HB   PHE  53          2HB       PHE  53   1.057  -1.617  -2.273
  523   2HB   PHE  53          1HB       PHE  53   0.180  -0.918  -3.634
  524    HD1  PHE  53          2HD       PHE  53   0.183  -3.637  -1.112
  525    HD2  PHE  53          1HD       PHE  53  -2.062  -1.642  -4.192
  526    HE1  PHE  53          2HE       PHE  53  -1.871  -4.817  -0.377
  527    HE2  PHE  53          1HE       PHE  53  -4.112  -2.843  -3.458
  528   1HZ   PHE  53           HZ       PHE  53  -4.011  -4.420  -1.556
  529    QB   PHE  53           QB       PHE  53   0.618  -1.268  -2.953
  530    QG   PHE  53           QD       PHE  53  -0.940  -2.640  -2.652
  531    QZ   PHE  53           QE       PHE  53  -2.992  -3.830  -1.917
  532    QZ   PHE  53           QR       PHE  53  -2.375  -3.472  -2.139
  533    H    THR  54           H        THR  54   1.242  -0.481  -5.439
  534    HA   THR  54           HA       THR  54   4.165  -0.107  -5.373
  535    HB   THR  54           HB       THR  54   2.865  -0.199  -8.080
  536    HG1  THR  54          1HG       THR  54   3.540  -2.428  -8.169
  537   1HG2  THR  54          1HG2      THR  54   5.181   0.662  -7.718
  538   2HG2  THR  54          3HG2      THR  54   5.639  -0.932  -7.117
  539   3HG2  THR  54          2HG2      THR  54   5.123  -0.736  -8.793
  540    QG2  THR  54           QG2      THR  54   5.314  -0.335  -7.876
  541    H    VAL  55           H        VAL  55   3.538   1.828  -4.324
  542    HA   VAL  55           HA       VAL  55   1.755   3.674  -5.769
  543    HB   VAL  55           HB       VAL  55   1.330   3.439  -3.433
  544   1HG1  VAL  55          2HG1      VAL  55   4.292   3.937  -3.078
  545   2HG1  VAL  55          1HG1      VAL  55   3.138   4.112  -1.758
  546   3HG1  VAL  55          3HG1      VAL  55   3.336   2.548  -2.549
  547   1HG2  VAL  55          3HG2      VAL  55   1.200   5.751  -4.351
  548   2HG2  VAL  55          2HG2      VAL  55   1.574   5.729  -2.628
  549   3HG2  VAL  55          1HG2      VAL  55   2.850   6.034  -3.804
  550    QG1  VAL  55           QG1      VAL  55   3.589   3.532  -2.462
  551    QG2  VAL  55           QG2      VAL  55   1.874   5.838  -3.595
  552    QQG  VAL  55           QQG      VAL  55   2.732   4.685  -3.028
  553    H    THR  56           H        THR  56   2.836   4.536  -7.471
  554    HA   THR  56           HA       THR  56   5.601   5.498  -7.280
  555    HB   THR  56           HB       THR  56   3.383   5.308  -9.308
  556    HG1  THR  56          1HG       THR  56   4.777   3.967 -10.246
  557   1HG2  THR  56          1HG2      THR  56   5.911   6.937  -9.703
  558   2HG2  THR  56          3HG2      THR  56   4.807   6.454 -10.994
  559   3HG2  THR  56          2HG2      THR  56   4.253   7.549  -9.724
  560    QG2  THR  56           QG2      THR  56   4.990   6.980 -10.140
  561    H    GLU  57           H        GLU  57   5.947   7.910  -7.980
  562    HA   GLU  57           HA       GLU  57   3.906   9.645  -6.624
  563   1HB   GLU  57          2HB       GLU  57   6.129   9.182  -5.453
  564   2HB   GLU  57          1HB       GLU  57   6.902  10.075  -6.762
  565   1HG   GLU  57          2HG       GLU  57   4.974  11.845  -6.119
  566   2HG   GLU  57          1HG       GLU  57   5.181  11.070  -4.548
  567    QB   GLU  57           QB       GLU  57   6.516   9.628  -6.108
  568    QG   GLU  57           QG       GLU  57   5.078  11.458  -5.334
   
  No H/Q in entry =         568
  Start of MODEL   27
    1   1H    MET   1          1HT       MET   1  -1.479 -16.322   3.978
    2   2H    MET   1          3HT       MET   1   0.187 -16.035   3.840
    3   3H    MET   1          2HT       MET   1  -0.415 -16.929   5.154
    4    HA   MET   1           HA       MET   1  -1.441 -15.029   6.115
    5   1HB   MET   1          2HB       MET   1   1.258 -15.460   5.762
    6   2HB   MET   1          1HB       MET   1   1.092 -13.785   5.239
    7   1HG   MET   1          2HG       MET   1   1.351 -13.424   7.501
    8   2HG   MET   1          1HG       MET   1  -0.398 -13.642   7.459
    9   1HE   MET   1          3HE       MET   1  -0.841 -14.162   9.559
   10   2HE   MET   1          2HE       MET   1  -1.631 -15.593   8.901
   11   3HE   MET   1          1HE       MET   1  -0.641 -15.730  10.351
   12    QB   MET   1           QB       MET   1   1.175 -14.623   5.501
   13    QG   MET   1           QG       MET   1   0.477 -13.533   7.480
   14    QE   MET   1           QE       MET   1  -1.038 -15.162   9.604
   15    H    THR   2           H        THR   2  -2.297 -12.925   5.865
   16    HA   THR   2           HA       THR   2  -2.548 -11.976   3.051
   17    HB   THR   2           HB       THR   2  -4.016 -11.217   5.599
   18    HG1  THR   2          1HG       THR   2  -5.628 -12.595   4.692
   19   1HG2  THR   2          1HG2      THR   2  -4.237 -10.433   2.730
   20   2HG2  THR   2          3HG2      THR   2  -5.737 -10.659   3.627
   21   3HG2  THR   2          2HG2      THR   2  -4.548  -9.484   4.183
   22    QG2  THR   2           QG2      THR   2  -4.841 -10.192   3.514
   23    H    THR   3           H        THR   3  -0.104 -11.509   4.755
   24    HA   THR   3           HA       THR   3  -0.115  -8.729   5.608
   25    HB   THR   3           HB       THR   3   2.262 -10.442   4.841
   26    HG1  THR   3          1HG       THR   3   0.674 -10.480   7.188
   27   1HG2  THR   3          2HG2      THR   3   2.217  -7.892   5.694
   28   2HG2  THR   3          1HG2      THR   3   2.156  -8.708   7.257
   29   3HG2  THR   3          3HG2      THR   3   3.496  -9.018   6.152
   30    QG2  THR   3           QG2      THR   3   2.623  -8.539   6.368
   31    H    PHE   4           H        PHE   4  -0.447  -7.167   4.058
   32    HA   PHE   4           HA       PHE   4   0.540  -7.515   1.299
   33   1HB   PHE   4          2HB       PHE   4  -0.977  -5.331   2.761
   34   2HB   PHE   4          1HB       PHE   4  -0.653  -5.321   1.027
   35    HD1  PHE   4          2HD       PHE   4  -1.387  -7.448  -0.302
   36    HD2  PHE   4          1HD       PHE   4  -2.898  -6.389   3.575
   37    HE1  PHE   4          2HE       PHE   4  -3.365  -8.896  -0.676
   38    HE2  PHE   4          1HE       PHE   4  -4.879  -7.829   3.195
   39   1HZ   PHE   4           HZ       PHE   4  -5.109  -9.088   1.072
   40    QB   PHE   4           QB       PHE   4  -0.815  -5.326   1.894
   41    QG   PHE   4           QD       PHE   4  -2.143  -6.918   1.636
   42    QZ   PHE   4           QE       PHE   4  -4.122  -8.362   1.259
   43    QZ   PHE   4           QR       PHE   4  -3.528  -7.930   1.373
   44    H    LYS   5           H        LYS   5   2.175  -6.257   0.361
   45    HA   LYS   5           HA       LYS   5   3.888  -4.696   2.261
   46   1HB   LYS   5          2HB       LYS   5   4.460  -6.090  -0.382
   47   2HB   LYS   5          1HB       LYS   5   5.660  -5.209   0.562
   48   1HG   LYS   5          2HG       LYS   5   6.056  -7.261   1.485
   49   2HG   LYS   5          1HG       LYS   5   4.656  -6.858   2.478
   50   1HD   LYS   5          2HD       LYS   5   3.172  -8.045   0.961
   51   2HD   LYS   5          1HD       LYS   5   4.502  -8.345  -0.159
   52   1HE   LYS   5          2HE       LYS   5   5.543  -9.375   2.157
   53   2HE   LYS   5          1HE       LYS   5   3.819  -9.750   2.350
   54   1HZ   LYS   5          3HZ       LYS   5   3.861 -10.529  -0.007
   55   2HZ   LYS   5          2HZ       LYS   5   5.554 -10.392   0.027
   56   3HZ   LYS   5          1HZ       LYS   5   4.768 -11.490   1.058
   57    QB   LYS   5           QB       LYS   5   5.060  -5.649   0.090
   58    QG   LYS   5           QG       LYS   5   5.356  -7.059   1.981
   59    QD   LYS   5           QD       LYS   5   3.837  -8.195   0.401
   60    QE   LYS   5           QE       LYS   5   4.681  -9.562   2.253
   61    QZ   LYS   5           QZ       LYS   5   4.728 -10.804   0.360
   62    H    LEU   6           H        LEU   6   5.275  -3.045   0.619
   63    HA   LEU   6           HA       LEU   6   3.625  -1.820  -1.462
   64   1HB   LEU   6          2HB       LEU   6   2.440  -1.198   0.625
   65   2HB   LEU   6          1HB       LEU   6   3.924  -0.477   1.245
   66    HG   LEU   6           HG       LEU   6   3.816   0.852  -1.066
   67   1HD1  LEU   6          3HD1      LEU   6   1.095  -0.287  -0.637
   68   2HD1  LEU   6          2HD1      LEU   6   1.189   1.400  -1.146
   69   3HD1  LEU   6          1HD1      LEU   6   1.912   0.138  -2.142
   70   1HD2  LEU   6          1HD2      LEU   6   3.435   1.479   1.556
   71   2HD2  LEU   6          3HD2      LEU   6   3.291   2.650   0.248
   72   3HD2  LEU   6          2HD2      LEU   6   1.849   1.884   0.902
   73    QB   LEU   6           QB       LEU   6   3.182  -0.838   0.935
   74    QD1  LEU   6           QD1      LEU   6   1.398   0.417  -1.308
   75    QD2  LEU   6           QD2      LEU   6   2.858   2.005   0.902
   76    QQD  LEU   6           QQD      LEU   6   2.128   1.211  -0.203
   77    H    ILE   7           H        ILE   7   5.334  -1.410  -2.836
   78    HA   ILE   7           HA       ILE   7   7.879  -0.322  -1.742
   79    HB   ILE   7           HB       ILE   7   6.998  -1.349  -4.463
   80   1HG1  ILE   7          2HG1      ILE   7   9.021  -2.971  -3.535
   81   2HG1  ILE   7          1HG1      ILE   7   8.185  -2.556  -2.039
   82   1HG2  ILE   7          2HG2      ILE   7   9.698  -0.366  -3.495
   83   2HG2  ILE   7          1HG2      ILE   7   9.476  -1.319  -4.962
   84   3HG2  ILE   7          3HG2      ILE   7   8.744   0.280  -4.831
   85   1HD1  ILE   7          1HD1      ILE   7   6.058  -3.083  -3.640
   86   2HD1  ILE   7          3HD1      ILE   7   7.254  -4.173  -4.343
   87   3HD1  ILE   7          2HD1      ILE   7   6.840  -4.301  -2.633
   88    QG1  ILE   7           QG1      ILE   7   8.603  -2.764  -2.787
   89    QG2  ILE   7           QG2      ILE   7   9.306  -0.468  -4.429
   90    QD1  ILE   7           QD1      ILE   7   6.717  -3.852  -3.539
   91    H    ILE   8           H        ILE   8   7.890   1.903  -1.556
   92    HA   ILE   8           HA       ILE   8   6.153   3.552  -3.259
   93    HB   ILE   8           HB       ILE   8   8.274   4.389  -1.274
   94   1HG1  ILE   8          2HG1      ILE   8   6.081   2.803  -0.648
   95   2HG1  ILE   8          1HG1      ILE   8   6.915   3.856   0.479
   96   1HG2  ILE   8          2HG2      ILE   8   7.498   6.153  -2.793
   97   2HG2  ILE   8          1HG2      ILE   8   5.815   5.796  -2.377
   98   3HG2  ILE   8          3HG2      ILE   8   6.912   6.459  -1.157
   99   1HD1  ILE   8          2HD1      ILE   8   4.488   4.633  -1.170
  100   2HD1  ILE   8          1HD1      ILE   8   4.463   4.199   0.539
  101   3HD1  ILE   8          3HD1      ILE   8   5.302   5.656   0.012
  102    QG1  ILE   8           QG1      ILE   8   6.498   3.329  -0.084
  103    QG2  ILE   8           QG2      ILE   8   6.742   6.136  -2.109
  104    QD1  ILE   8           QD1      ILE   8   4.751   4.829  -0.206
  105    H    ASN   9           H        ASN   9   6.898   3.674  -5.369
  106    HA   ASN   9           HA       ASN   9   9.777   3.933  -5.954
  107   1HB   ASN   9          2HB       ASN   9   8.193   2.557  -7.296
  108   2HB   ASN   9          1HB       ASN   9   7.308   4.024  -7.718
  109   1HD2  ASN   9          2HD2      ASN   9   9.645   5.048 -10.171
  110   2HD2  ASN   9          1HD2      ASN   9   8.234   5.439  -9.310
  111    QB   ASN   9           QB       ASN   9   7.750   3.291  -7.507
  112    QD2  ASN   9           QD2      ASN   9   8.939   5.244  -9.741
  113    H    GLY  10           H        GLY  10  10.757   5.827  -6.743
  114   1HA   GLY  10          2HA       GLY  10  10.252   8.082  -7.867
  115   2HA   GLY  10          1HA       GLY  10   9.112   8.317  -6.542
  116    QA   GLY  10           QA       GLY  10   9.682   8.200  -7.204
  117    H    LYS  11           H        LYS  11  10.106  10.025  -5.486
  118    HA   LYS  11           HA       LYS  11  12.847   9.489  -4.388
  119   1HB   LYS  11          2HB       LYS  11  13.211  11.944  -4.633
  120   2HB   LYS  11          1HB       LYS  11  12.878  11.170  -6.181
  121   1HG   LYS  11          2HG       LYS  11  10.627  11.970  -6.209
  122   2HG   LYS  11          1HG       LYS  11  10.704  12.455  -4.514
  123   1HD   LYS  11          2HD       LYS  11  11.080  14.510  -5.484
  124   2HD   LYS  11          1HD       LYS  11  12.745  13.926  -5.430
  125   1HE   LYS  11          2HE       LYS  11  12.078  12.862  -7.788
  126   2HE   LYS  11          1HE       LYS  11  10.916  14.204  -7.783
  127   1HZ   LYS  11          3HZ       LYS  11  13.808  14.487  -7.167
  128   2HZ   LYS  11          2HZ       LYS  11  13.117  14.840  -8.679
  129   3HZ   LYS  11          1HZ       LYS  11  12.675  15.741  -7.308
  130    QB   LYS  11           QB       LYS  11  13.044  11.557  -5.407
  131    QG   LYS  11           QG       LYS  11  10.665  12.212  -5.361
  132    QD   LYS  11           QD       LYS  11  11.912  14.218  -5.457
  133    QE   LYS  11           QE       LYS  11  11.497  13.533  -7.786
  134    QZ   LYS  11           QZ       LYS  11  13.200  15.023  -7.718
  135    H    THR  12           H        THR  12  10.112   9.026  -3.226
  136    HA   THR  12           HA       THR  12  10.464  10.682  -0.756
  137    HB   THR  12           HB       THR  12   7.881  10.735  -0.778
  138    HG1  THR  12          1HG       THR  12   8.329  10.267  -3.534
  139   1HG2  THR  12          2HG2      THR  12   9.784  12.267  -2.475
  140   2HG2  THR  12          1HG2      THR  12   8.065  12.527  -2.770
  141   3HG2  THR  12          3HG2      THR  12   8.741  12.826  -1.169
  142    QG2  THR  12           QG2      THR  12   8.863  12.540  -2.138
  143    H    LEU  13           H        LEU  13  10.208   9.497   1.114
  144    HA   LEU  13           HA       LEU  13   9.888   7.652   2.537
  145   1HB   LEU  13          2HB       LEU  13   7.699   7.625   0.556
  146   2HB   LEU  13          1HB       LEU  13   8.001   6.058   1.303
  147    HG   LEU  13           HG       LEU  13   7.598   8.646   2.829
  148   1HD1  LEU  13          3HD1      LEU  13   5.729   6.585   1.801
  149   2HD1  LEU  13          2HD1      LEU  13   5.498   7.041   3.490
  150   3HD1  LEU  13          1HD1      LEU  13   5.426   8.270   2.228
  151   1HD2  LEU  13          3HD2      LEU  13   8.154   5.789   3.589
  152   2HD2  LEU  13          2HD2      LEU  13   8.846   7.270   4.251
  153   3HD2  LEU  13          1HD2      LEU  13   7.197   6.803   4.670
  154    QB   LEU  13           QB       LEU  13   7.850   6.841   0.930
  155    QD1  LEU  13           QD1      LEU  13   5.551   7.299   2.506
  156    QD2  LEU  13           QD2      LEU  13   8.066   6.621   4.170
  157    QQD  LEU  13           QQD      LEU  13   6.808   6.960   3.338
  158    H    LYS  14           H        LYS  14   9.232   5.961  -0.531
  159    HA   LYS  14           HA       LYS  14  10.290   4.093  -1.508
  160   1HB   LYS  14          2HB       LYS  14  12.603   5.681  -0.356
  161   2HB   LYS  14          1HB       LYS  14  12.828   4.289  -1.416
  162   1HG   LYS  14          2HG       LYS  14  11.114   5.567  -2.961
  163   2HG   LYS  14          1HG       LYS  14  11.653   6.976  -2.045
  164   1HD   LYS  14          2HD       LYS  14  13.107   6.848  -3.934
  165   2HD   LYS  14          1HD       LYS  14  14.042   6.229  -2.571
  166   1HE   LYS  14          2HE       LYS  14  14.031   4.064  -3.373
  167   2HE   LYS  14          1HE       LYS  14  12.437   4.245  -4.131
  168   1HZ   LYS  14          1HZ       LYS  14  13.477   5.824  -5.709
  169   2HZ   LYS  14          3HZ       LYS  14  14.995   5.437  -5.059
  170   3HZ   LYS  14          2HZ       LYS  14  14.083   4.242  -5.851
  171    QB   LYS  14           QB       LYS  14  12.716   4.985  -0.886
  172    QG   LYS  14           QG       LYS  14  11.384   6.271  -2.503
  173    QD   LYS  14           QD       LYS  14  13.574   6.538  -3.253
  174    QE   LYS  14           QE       LYS  14  13.234   4.155  -3.752
  175    QZ   LYS  14           QZ       LYS  14  14.185   5.168  -5.540
  176    H    GLY  15           H        GLY  15   9.409   2.461  -0.151
  177   1HA   GLY  15          2HA       GLY  15  11.300   0.927   1.376
  178   2HA   GLY  15          1HA       GLY  15  10.198   1.776   2.462
  179    QA   GLY  15           QA       GLY  15  10.749   1.352   1.919
  180    H    GLU  16           H        GLU  16   9.793  -0.728   2.822
  181    HA   GLU  16           HA       GLU  16   7.714  -1.719   0.897
  182   1HB   GLU  16          2HB       GLU  16   9.711  -2.933   2.776
  183   2HB   GLU  16          1HB       GLU  16   8.251  -3.846   2.396
  184   1HG   GLU  16          2HG       GLU  16   9.968  -4.465   0.799
  185   2HG   GLU  16          1HG       GLU  16   8.750  -3.507  -0.042
  186    QB   GLU  16           QB       GLU  16   8.981  -3.390   2.586
  187    QG   GLU  16           QG       GLU  16   9.359  -3.986   0.378
  188    H    ILE  17           H        ILE  17   8.381  -1.812   4.428
  189    HA   ILE  17           HA       ILE  17   6.906  -1.737   6.272
  190    HB   ILE  17           HB       ILE  17   5.389  -0.031   4.267
  191   1HG1  ILE  17          2HG1      ILE  17   7.727   0.699   4.589
  192   2HG1  ILE  17          1HG1      ILE  17   6.605   1.853   5.306
  193   1HG2  ILE  17          1HG2      ILE  17   5.180  -0.392   7.254
  194   2HG2  ILE  17          3HG2      ILE  17   4.682   1.116   6.486
  195   3HG2  ILE  17          2HG2      ILE  17   3.891  -0.399   6.050
  196   1HD1  ILE  17          1HD1      ILE  17   6.963   0.735   7.526
  197   2HD1  ILE  17          3HD1      ILE  17   8.196  -0.275   6.771
  198   3HD1  ILE  17          2HD1      ILE  17   8.426   1.470   6.872
  199    QG1  ILE  17           QG1      ILE  17   7.166   1.276   4.947
  200    QG2  ILE  17           QG2      ILE  17   4.584   0.109   6.596
  201    QD1  ILE  17           QD1      ILE  17   7.862   0.643   7.056
  202    H    THR  18           H        THR  18   6.509  -4.123   5.651
  203    HA   THR  18           HA       THR  18   4.106  -4.882   4.232
  204    HB   THR  18           HB       THR  18   4.618  -7.092   5.266
  205    HG1  THR  18          1HG       THR  18   5.583  -7.054   7.108
  206   1HG2  THR  18          2HG2      THR  18   6.063  -5.784   3.396
  207   2HG2  THR  18          1HG2      THR  18   7.316  -6.042   4.610
  208   3HG2  THR  18          3HG2      THR  18   6.448  -7.420   3.933
  209    QG2  THR  18           QG2      THR  18   6.609  -6.415   3.980
  210    H    ILE  19           H        ILE  19   2.022  -5.143   5.015
  211    HA   ILE  19           HA       ILE  19   1.557  -5.057   7.958
  212    HB   ILE  19           HB       ILE  19  -0.099  -3.237   7.634
  213   1HG1  ILE  19          2HG1      ILE  19   0.453  -2.062   5.231
  214   2HG1  ILE  19          1HG1      ILE  19   0.588  -3.766   4.797
  215   1HG2  ILE  19          3HG2      ILE  19   2.425  -2.867   8.068
  216   2HG2  ILE  19          2HG2      ILE  19   2.502  -2.363   6.380
  217   3HG2  ILE  19          1HG2      ILE  19   1.480  -1.483   7.516
  218   1HD1  ILE  19          1HD1      ILE  19  -1.666  -4.025   6.092
  219   2HD1  ILE  19          3HD1      ILE  19  -1.799  -2.279   5.879
  220   3HD1  ILE  19          2HD1      ILE  19  -1.700  -3.333   4.469
  221    QG1  ILE  19           QG1      ILE  19   0.521  -2.914   5.014
  222    QG2  ILE  19           QG2      ILE  19   2.136  -2.238   7.322
  223    QD1  ILE  19           QD1      ILE  19  -1.722  -3.213   5.480
  224    H    GLU  20           H        GLU  20  -0.385  -6.078   8.576
  225    HA   GLU  20           HA       GLU  20  -1.647  -7.779   6.495
  226   1HB   GLU  20          2HB       GLU  20  -2.549  -8.954   8.488
  227   2HB   GLU  20          1HB       GLU  20  -0.799  -8.768   8.589
  228   1HG   GLU  20          2HG       GLU  20  -1.948  -6.432   9.754
  229   2HG   GLU  20          1HG       GLU  20  -2.817  -7.816  10.415
  230    QB   GLU  20           QB       GLU  20  -1.674  -8.861   8.538
  231    QG   GLU  20           QG       GLU  20  -2.382  -7.124  10.084
  232    H    ALA  21           H        ALA  21  -4.055  -7.961   6.497
  233    HA   ALA  21           HA       ALA  21  -5.692  -5.925   7.783
  234   1HB   ALA  21          1HB       ALA  21  -4.364  -5.409   5.232
  235   2HB   ALA  21          3HB       ALA  21  -6.116  -5.265   5.089
  236   3HB   ALA  21          2HB       ALA  21  -5.245  -4.291   6.273
  237    QB   ALA  21           QB       ALA  21  -5.242  -4.989   5.532
  238    H    VAL  22           H        VAL  22  -7.984  -6.016   6.800
  239    HA   VAL  22           HA       VAL  22  -9.024  -8.618   6.771
  240    HB   VAL  22           HB       VAL  22 -10.304  -6.545   7.136
  241   1HG1  VAL  22          2HG1      VAL  22  -9.009  -5.367   5.207
  242   2HG1  VAL  22          1HG1      VAL  22 -10.256  -6.050   4.166
  243   3HG1  VAL  22          3HG1      VAL  22 -10.702  -4.942   5.461
  244   1HG2  VAL  22          3HG2      VAL  22 -11.241  -8.777   5.952
  245   2HG2  VAL  22          2HG2      VAL  22 -12.271  -7.386   6.295
  246   3HG2  VAL  22          1HG2      VAL  22 -11.603  -7.612   4.677
  247    QG1  VAL  22           QG1      VAL  22  -9.989  -5.453   4.945
  248    QG2  VAL  22           QG2      VAL  22 -11.705  -7.925   5.641
  249    QQG  VAL  22           QQG      VAL  22 -10.847  -6.689   5.293
  250    H    ASP  23           H        ASP  23  -7.981  -6.610   4.043
  251    HA   ASP  23           HA       ASP  23  -7.557  -8.976   2.359
  252   1HB   ASP  23          2HB       ASP  23  -9.162  -8.174   0.622
  253   2HB   ASP  23          1HB       ASP  23  -9.975  -8.595   2.127
  254    QB   ASP  23           QB       ASP  23  -9.569  -8.385   1.374
  255    H    ALA  24           H        ALA  24  -7.074  -7.895  -0.046
  256    HA   ALA  24           HA       ALA  24  -4.769  -6.195   0.381
  257   1HB   ALA  24          2HB       ALA  24  -5.396  -7.944  -1.490
  258   2HB   ALA  24          1HB       ALA  24  -6.147  -6.552  -2.271
  259   3HB   ALA  24          3HB       ALA  24  -4.420  -6.535  -1.910
  260    QB   ALA  24           QB       ALA  24  -5.321  -7.010  -1.890
  261    H    ALA  25           H        ALA  25  -8.128  -5.645  -0.533
  262    HA   ALA  25           HA       ALA  25  -8.007  -3.022  -1.561
  263   1HB   ALA  25          2HB       ALA  25  -9.980  -4.576  -1.462
  264   2HB   ALA  25          1HB       ALA  25 -10.111  -4.228   0.262
  265   3HB   ALA  25          3HB       ALA  25 -10.361  -2.942  -0.920
  266    QB   ALA  25           QB       ALA  25 -10.151  -3.915  -0.707
  267    H    GLU  26           H        GLU  26  -8.441  -4.079   1.827
  268    HA   GLU  26           HA       GLU  26  -8.456  -1.462   3.004
  269   1HB   GLU  26          2HB       GLU  26  -9.225  -3.557   4.085
  270   2HB   GLU  26          1HB       GLU  26  -7.568  -4.158   4.099
  271   1HG   GLU  26          2HG       GLU  26  -7.119  -3.037   6.003
  272   2HG   GLU  26          1HG       GLU  26  -7.649  -1.518   5.284
  273    QB   GLU  26           QB       GLU  26  -8.396  -3.857   4.092
  274    QG   GLU  26           QG       GLU  26  -7.384  -2.278   5.644
  275    H    ALA  27           H        ALA  27  -5.818  -3.807   2.427
  276    HA   ALA  27           HA       ALA  27  -3.655  -2.447   3.630
  277   1HB   ALA  27          3HB       ALA  27  -4.110  -4.448   1.516
  278   2HB   ALA  27          2HB       ALA  27  -2.601  -3.552   1.322
  279   3HB   ALA  27          1HB       ALA  27  -2.915  -4.443   2.813
  280    QB   ALA  27           QB       ALA  27  -3.209  -4.148   1.883
  281    H    GLU  28           H        GLU  28  -4.982  -2.074   0.329
  282    HA   GLU  28           HA       GLU  28  -3.158  -0.098  -0.617
  283   1HB   GLU  28          2HB       GLU  28  -5.171  -1.505  -1.684
  284   2HB   GLU  28          1HB       GLU  28  -6.054  -0.011  -1.370
  285   1HG   GLU  28          2HG       GLU  28  -3.915   1.096  -2.490
  286   2HG   GLU  28          1HG       GLU  28  -3.754  -0.497  -3.234
  287    QB   GLU  28           QB       GLU  28  -5.613  -0.758  -1.527
  288    QG   GLU  28           QG       GLU  28  -3.835   0.300  -2.862
  289    H    LYS  29           H        LYS  29  -6.120   0.170   1.334
  290    HA   LYS  29           HA       LYS  29  -6.289   3.062   1.304
  291   1HB   LYS  29          2HB       LYS  29  -7.213   1.013   3.355
  292   2HB   LYS  29          1HB       LYS  29  -7.801   2.669   3.226
  293   1HG   LYS  29          2HG       LYS  29  -8.013   0.639   0.988
  294   2HG   LYS  29          1HG       LYS  29  -9.303   0.955   2.147
  295   1HD   LYS  29          2HD       LYS  29  -8.042   3.052   0.358
  296   2HD   LYS  29          1HD       LYS  29  -9.576   2.245   0.034
  297   1HE   LYS  29          2HE       LYS  29 -10.314   3.073   2.366
  298   2HE   LYS  29          1HE       LYS  29  -8.914   4.161   2.278
  299   1HZ   LYS  29          3HZ       LYS  29 -10.906   3.897   0.095
  300   2HZ   LYS  29          2HZ       LYS  29 -11.021   5.079   1.310
  301   3HZ   LYS  29          1HZ       LYS  29  -9.692   5.072   0.251
  302    QB   LYS  29           QB       LYS  29  -7.507   1.841   3.291
  303    QG   LYS  29           QG       LYS  29  -8.658   0.797   1.567
  304    QD   LYS  29           QD       LYS  29  -8.809   2.649   0.196
  305    QE   LYS  29           QE       LYS  29  -9.614   3.617   2.322
  306    QZ   LYS  29           QZ       LYS  29 -10.540   4.683   0.552
  307    H    ILE  30           H        ILE  30  -5.106   0.762   3.775
  308    HA   ILE  30           HA       ILE  30  -3.965   2.614   5.596
  309    HB   ILE  30           HB       ILE  30  -3.149  -0.207   4.787
  310   1HG1  ILE  30          2HG1      ILE  30  -4.724   0.608   7.226
  311   2HG1  ILE  30          1HG1      ILE  30  -5.532   0.357   5.678
  312   1HG2  ILE  30          2HG2      ILE  30  -2.100   1.666   6.832
  313   2HG2  ILE  30          1HG2      ILE  30  -2.475   0.050   7.431
  314   3HG2  ILE  30          3HG2      ILE  30  -1.335   0.255   6.101
  315   1HD1  ILE  30          3HD1      ILE  30  -3.626  -1.775   6.437
  316   2HD1  ILE  30          2HD1      ILE  30  -5.042  -1.636   7.482
  317   3HD1  ILE  30          1HD1      ILE  30  -5.248  -1.901   5.751
  318    QG1  ILE  30           QG1      ILE  30  -5.128   0.483   6.452
  319    QG2  ILE  30           QG2      ILE  30  -1.970   0.657   6.788
  320    QD1  ILE  30           QD1      ILE  30  -4.639  -1.771   6.557
  321    H    PHE  31           H        PHE  31  -2.618   1.078   2.695
  322    HA   PHE  31           HA       PHE  31   0.023   2.266   2.926
  323   1HB   PHE  31          2HB       PHE  31  -1.608   0.844   0.819
  324   2HB   PHE  31          1HB       PHE  31  -0.048   1.553   0.400
  325    HD1  PHE  31          1HD       PHE  31   1.627   1.098   2.715
  326    HD2  PHE  31          2HD       PHE  31  -1.365  -1.460   0.996
  327    HE1  PHE  31          1HE       PHE  31   2.775  -0.883   3.668
  328    HE2  PHE  31          2HE       PHE  31  -0.216  -3.442   1.951
  329   1HZ   PHE  31           HZ       PHE  31   1.853  -3.151   3.286
  330    QB   PHE  31           QB       PHE  31  -0.828   1.199   0.610
  331    QG   PHE  31           QD       PHE  31   0.131  -0.181   1.855
  332    QZ   PHE  31           QE       PHE  31   1.280  -2.162   2.809
  333    QZ   PHE  31           QR       PHE  31   0.935  -1.567   2.523
  334    H    LYS  32           H        LYS  32  -3.019   3.139   1.346
  335    HA   LYS  32           HA       LYS  32  -1.924   5.413  -0.075
  336   1HB   LYS  32          2HB       LYS  32  -4.643   4.262   0.454
  337   2HB   LYS  32          1HB       LYS  32  -4.478   5.837  -0.317
  338   1HG   LYS  32          2HG       LYS  32  -3.233   4.929  -2.140
  339   2HG   LYS  32          1HG       LYS  32  -3.012   3.388  -1.309
  340   1HD   LYS  32          2HD       LYS  32  -4.757   3.028  -2.908
  341   2HD   LYS  32          1HD       LYS  32  -5.553   3.157  -1.339
  342   1HE   LYS  32          2HE       LYS  32  -6.868   4.611  -2.619
  343   2HE   LYS  32          1HE       LYS  32  -5.653   5.744  -1.988
  344   1HZ   LYS  32          3HZ       LYS  32  -4.287   5.234  -3.964
  345   2HZ   LYS  32          2HZ       LYS  32  -5.567   4.310  -4.591
  346   3HZ   LYS  32          1HZ       LYS  32  -5.756   5.982  -4.362
  347    QB   LYS  32           QB       LYS  32  -4.560   5.049   0.068
  348    QG   LYS  32           QG       LYS  32  -3.123   4.159  -1.725
  349    QD   LYS  32           QD       LYS  32  -5.155   3.092  -2.124
  350    QE   LYS  32           QE       LYS  32  -6.261   5.177  -2.303
  351    QZ   LYS  32           QZ       LYS  32  -5.203   5.175  -4.306
  352    H    GLN  33           H        GLN  33  -2.407   4.979   3.193
  353    HA   GLN  33           HA       GLN  33  -3.281   7.836   3.635
  354   1HB   GLN  33          2HB       GLN  33  -3.121   5.341   5.376
  355   2HB   GLN  33          1HB       GLN  33  -3.473   6.941   6.029
  356   1HG   GLN  33          2HG       GLN  33  -5.504   7.113   4.794
  357   2HG   GLN  33          1HG       GLN  33  -5.085   5.735   3.776
  358   1HE2  GLN  33          2HE2      GLN  33  -7.234   3.959   6.012
  359   2HE2  GLN  33          1HE2      GLN  33  -7.143   4.691   4.484
  360    QB   GLN  33           QB       GLN  33  -3.297   6.141   5.703
  361    QG   GLN  33           QG       GLN  33  -5.295   6.424   4.285
  362    QE2  GLN  33           QE2      GLN  33  -7.188   4.325   5.248
  363    H    TYR  34           H        TYR  34  -1.058   5.297   4.453
  364    HA   TYR  34           HA       TYR  34   1.044   6.458   5.863
  365   1HB   TYR  34          2HB       TYR  34   0.394   4.112   4.708
  366   2HB   TYR  34          1HB       TYR  34   1.515   4.699   3.485
  367    HD1  TYR  34          1HD       TYR  34   3.877   5.097   3.979
  368    HD2  TYR  34          2HD       TYR  34   1.204   3.553   6.967
  369    HE1  TYR  34          1HE       TYR  34   5.819   4.439   5.378
  370    HE2  TYR  34          2HE       TYR  34   3.144   2.895   8.366
  371    HH   TYR  34           HH       TYR  34   5.657   3.773   8.550
  372    QB   TYR  34           QB       TYR  34   0.955   4.405   4.096
  373    QG   TYR  34           QD       TYR  34   2.540   4.325   5.473
  374    QZ   TYR  34           QE       TYR  34   4.482   3.667   6.872
  375    QR   TYR  34           QR       TYR  34   3.511   3.996   6.172
  376    H    ALA  35           H        ALA  35   0.682   6.215   2.335
  377    HA   ALA  35           HA       ALA  35   2.975   7.812   1.606
  378   1HB   ALA  35          2HB       ALA  35   0.489   6.727   0.301
  379   2HB   ALA  35          1HB       ALA  35   1.512   7.861  -0.586
  380   3HB   ALA  35          3HB       ALA  35   2.180   6.330  -0.014
  381    QB   ALA  35           QB       ALA  35   1.394   6.973  -0.100
  382    H    ASN  36           H        ASN  36  -0.537   8.554   1.613
  383    HA   ASN  36           HA       ASN  36  -0.417  11.246   0.759
  384   1HB   ASN  36          2HB       ASN  36  -2.247   9.555   2.404
  385   2HB   ASN  36          1HB       ASN  36  -2.546  11.291   2.346
  386   1HD2  ASN  36          2HD2      ASN  36  -2.614   9.389  -1.305
  387   2HD2  ASN  36          1HD2      ASN  36  -1.407   8.977  -0.184
  388    QB   ASN  36           QB       ASN  36  -2.397  10.423   2.375
  389    QD2  ASN  36           QD2      ASN  36  -2.011   9.183  -0.744
  390    H    ASP  37           H        ASP  37  -0.425  10.016   4.123
  391    HA   ASP  37           HA       ASP  37  -0.215  12.497   5.465
  392   1HB   ASP  37          2HB       ASP  37  -0.505   9.978   6.224
  393   2HB   ASP  37          1HB       ASP  37   1.243  10.067   6.436
  394    QB   ASP  37           QB       ASP  37   0.369  10.023   6.330
  395    H    ASN  38           H        ASN  38   2.185  10.790   3.650
  396    HA   ASN  38           HA       ASN  38   4.363  12.440   4.756
  397   1HB   ASN  38          2HB       ASN  38   4.061   9.811   3.431
  398   2HB   ASN  38          1HB       ASN  38   5.531  10.699   3.032
  399   1HD2  ASN  38          2HD2      ASN  38   5.365   8.799   6.533
  400   2HD2  ASN  38          1HD2      ASN  38   4.315   8.492   5.236
  401    QB   ASN  38           QB       ASN  38   4.796  10.255   3.231
  402    QD2  ASN  38           QD2      ASN  38   4.840   8.645   5.885
  403    H    GLY  39           H        GLY  39   2.496  11.880   1.841
  404   1HA   GLY  39          2HA       GLY  39   2.280  13.761   0.242
  405   2HA   GLY  39          1HA       GLY  39   3.985  14.114   0.523
  406    QA   GLY  39           QA       GLY  39   3.133  13.938   0.383
  407    H    ILE  40           H        ILE  40   2.812  10.832   0.169
  408    HA   ILE  40           HA       ILE  40   4.501  10.516  -2.255
  409    HB   ILE  40           HB       ILE  40   3.377   8.851  -0.046
  410   1HG1  ILE  40          2HG1      ILE  40   5.716   7.954  -0.108
  411   2HG1  ILE  40          1HG1      ILE  40   6.048   9.085  -1.423
  412   1HG2  ILE  40          3HG2      ILE  40   2.705   7.641  -2.169
  413   2HG2  ILE  40          2HG2      ILE  40   4.422   7.535  -2.557
  414   3HG2  ILE  40          1HG2      ILE  40   3.792   6.750  -1.107
  415   1HD1  ILE  40          2HD1      ILE  40   4.931   9.937   1.253
  416   2HD1  ILE  40          1HD1      ILE  40   6.660   9.938   0.880
  417   3HD1  ILE  40          3HD1      ILE  40   5.559  10.975  -0.034
  418    QG1  ILE  40           QG1      ILE  40   5.882   8.520  -0.766
  419    QG2  ILE  40           QG2      ILE  40   3.640   7.309  -1.944
  420    QD1  ILE  40           QD1      ILE  40   5.717  10.283   0.700
  421    H    ASP  41           H        ASP  41   3.348  11.114  -4.037
  422    HA   ASP  41           HA       ASP  41   0.726   9.756  -4.522
  423   1HB   ASP  41          2HB       ASP  41   1.391  12.702  -4.574
  424   2HB   ASP  41          1HB       ASP  41   0.006  12.056  -5.456
  425    QB   ASP  41           QB       ASP  41   0.699  12.379  -5.015
  426    H    GLY  42           H        GLY  42   1.077   8.603  -6.359
  427   1HA   GLY  42          2HA       GLY  42   1.932   9.948  -8.806
  428   2HA   GLY  42          1HA       GLY  42   3.083   8.737  -8.236
  429    QA   GLY  42           QA       GLY  42   2.508   9.343  -8.521
  430    H    GLU  43           H        GLU  43   2.609   6.569  -8.553
  431    HA   GLU  43           HA       GLU  43  -0.013   5.961  -9.892
  432   1HB   GLU  43          2HB       GLU  43   2.521   5.734 -10.875
  433   2HB   GLU  43          1HB       GLU  43   2.299   4.126 -10.182
  434   1HG   GLU  43          2HG       GLU  43   0.136   3.941 -11.428
  435   2HG   GLU  43          1HG       GLU  43   0.493   5.486 -12.201
  436    QB   GLU  43           QB       GLU  43   2.410   4.930 -10.528
  437    QG   GLU  43           QG       GLU  43   0.315   4.714 -11.814
  438    H    TRP  44           H        TRP  44  -0.637   3.560  -9.555
  439    HA   TRP  44           HA       TRP  44   0.268   2.351  -6.980
  440   1HB   TRP  44          2HB       TRP  44  -2.393   3.649  -7.554
  441   2HB   TRP  44          1HB       TRP  44  -2.327   2.251  -6.476
  442    HD1  TRP  44           HD       TRP  44  -1.162   5.884  -6.744
  443    HE1  TRP  44          1HE       TRP  44  -0.428   6.668  -4.401
  444    HE3  TRP  44          3HE       TRP  44  -1.434   1.456  -4.239
  445    HZ2  TRP  44          2HZ       TRP  44  -0.010   5.555  -1.799
  446    HZ3  TRP  44          3HZ       TRP  44  -0.863   1.345  -1.824
  447    HH2  TRP  44           HH       TRP  44  -0.148   3.386  -0.609
  448    QB   TRP  44           QB       TRP  44  -2.360   2.950  -7.015
  449    H    THR  45           H        THR  45   0.457   0.203  -7.440
  450    HA   THR  45           HA       THR  45  -1.615  -1.075  -9.178
  451    HB   THR  45           HB       THR  45   0.082  -2.189 -10.459
  452    HG1  THR  45          1HG       THR  45   1.747  -2.661  -9.260
  453   1HG2  THR  45          2HG2      THR  45  -0.381   0.165 -11.107
  454   2HG2  THR  45          1HG2      THR  45   0.962   0.684 -10.088
  455   3HG2  THR  45          3HG2      THR  45   1.267  -0.323 -11.504
  456    QG2  THR  45           QG2      THR  45   0.616   0.175 -10.900
  457    H    TYR  46           H        TYR  46  -2.379  -2.872  -8.216
  458    HA   TYR  46           HA       TYR  46  -0.989  -3.923  -5.809
  459   1HB   TYR  46          2HB       TYR  46  -3.331  -3.417  -5.569
  460   2HB   TYR  46          1HB       TYR  46  -3.737  -4.287  -7.050
  461    HD1  TYR  46          1HD       TYR  46  -1.693  -5.091  -3.999
  462    HD2  TYR  46          2HD       TYR  46  -4.888  -6.271  -6.615
  463    HE1  TYR  46          1HE       TYR  46  -1.969  -7.193  -2.714
  464    HE2  TYR  46          2HE       TYR  46  -5.162  -8.373  -5.326
  465    HH   TYR  46           HH       TYR  46  -4.671  -9.162  -2.980
  466    QB   TYR  46           QB       TYR  46  -3.534  -3.852  -6.310
  467    QG   TYR  46           QD       TYR  46  -3.291  -5.681  -5.307
  468    QZ   TYR  46           QE       TYR  46  -3.566  -7.783  -4.020
  469    QR   TYR  46           QR       TYR  46  -3.428  -6.732  -4.663
  470    H    ASP  47           H        ASP  47  -0.165  -6.016  -5.731
  471    HA   ASP  47           HA       ASP  47  -0.166  -7.572  -8.293
  472   1HB   ASP  47          2HB       ASP  47   1.971  -6.566  -7.159
  473   2HB   ASP  47          1HB       ASP  47   1.782  -7.890  -6.011
  474    QB   ASP  47           QB       ASP  47   1.877  -7.228  -6.585
  475    H    ASP  48           H        ASP  48  -1.941  -8.934  -7.970
  476    HA   ASP  48           HA       ASP  48  -2.650 -10.103  -5.425
  477   1HB   ASP  48          2HB       ASP  48  -4.128  -9.634  -7.417
  478   2HB   ASP  48          1HB       ASP  48  -3.378 -11.017  -8.218
  479    QB   ASP  48           QB       ASP  48  -3.753 -10.325  -7.818
  480    H    ALA  49           H        ALA  49  -0.039 -10.845  -7.411
  481    HA   ALA  49           HA       ALA  49  -0.101 -13.765  -7.027
  482   1HB   ALA  49          1HB       ALA  49   1.704 -11.727  -8.335
  483   2HB   ALA  49          3HB       ALA  49   2.237 -13.395  -8.124
  484   3HB   ALA  49          2HB       ALA  49   0.806 -13.042  -9.093
  485    QB   ALA  49           QB       ALA  49   1.582 -12.721  -8.518
  486    H    THR  50           H        THR  50   1.350 -10.880  -5.626
  487    HA   THR  50           HA       THR  50   2.537 -12.578  -3.470
  488    HB   THR  50           HB       THR  50   4.535 -11.094  -3.579
  489    HG1  THR  50          1HG       THR  50   3.259 -10.093  -5.906
  490   1HG2  THR  50          3HG2      THR  50   4.185 -13.245  -4.986
  491   2HG2  THR  50          2HG2      THR  50   4.011 -12.142  -6.350
  492   3HG2  THR  50          1HG2      THR  50   5.514 -12.171  -5.426
  493    QG2  THR  50           QG2      THR  50   4.570 -12.519  -5.587
  494    H    LYS  51           H        LYS  51   0.159 -10.516  -4.011
  495    HA   LYS  51           HA       LYS  51  -0.902  -8.799  -2.837
  496   1HB   LYS  51          2HB       LYS  51   0.523 -10.551  -0.865
  497   2HB   LYS  51          1HB       LYS  51  -0.435  -9.182  -0.290
  498   1HG   LYS  51          2HG       LYS  51  -1.991 -10.978  -0.384
  499   2HG   LYS  51          1HG       LYS  51  -2.271 -10.050  -1.857
  500   1HD   LYS  51          2HD       LYS  51  -1.467 -11.656  -3.221
  501   2HD   LYS  51          1HD       LYS  51  -0.236 -12.176  -2.067
  502   1HE   LYS  51          2HE       LYS  51  -1.593 -13.786  -1.185
  503   2HE   LYS  51          1HE       LYS  51  -3.000 -12.705  -1.168
  504   1HZ   LYS  51          3HZ       LYS  51  -1.845 -13.892  -3.634
  505   2HZ   LYS  51          2HZ       LYS  51  -3.182 -14.540  -2.810
  506   3HZ   LYS  51          1HZ       LYS  51  -3.279 -12.994  -3.508
  507    QB   LYS  51           QB       LYS  51   0.044  -9.867  -0.577
  508    QG   LYS  51           QG       LYS  51  -2.131 -10.514  -1.121
  509    QD   LYS  51           QD       LYS  51  -0.851 -11.916  -2.644
  510    QE   LYS  51           QE       LYS  51  -2.296 -13.245  -1.176
  511    QZ   LYS  51           QZ       LYS  51  -2.769 -13.809  -3.317
  512    H    THR  52           H        THR  52   1.414  -7.858  -4.070
  513    HA   THR  52           HA       THR  52   2.537  -5.966  -2.018
  514    HB   THR  52           HB       THR  52   3.792  -6.988  -4.584
  515    HG1  THR  52          1HG       THR  52   4.729  -8.517  -3.389
  516   1HG2  THR  52          1HG2      THR  52   4.807  -5.401  -2.222
  517   2HG2  THR  52          3HG2      THR  52   5.882  -6.198  -3.371
  518   3HG2  THR  52          2HG2      THR  52   4.793  -4.924  -3.920
  519    QG2  THR  52           QG2      THR  52   5.161  -5.507  -3.171
  520    H    PHE  53           H        PHE  53   1.815  -3.897  -2.367
  521    HA   PHE  53           HA       PHE  53   0.630  -3.124  -4.952
  522   1HB   PHE  53          2HB       PHE  53   1.040  -1.777  -2.266
  523   2HB   PHE  53          1HB       PHE  53   0.244  -0.978  -3.624
  524    HD1  PHE  53          2HD       PHE  53   0.049  -3.905  -1.320
  525    HD2  PHE  53          1HD       PHE  53  -2.014  -1.498  -4.228
  526    HE1  PHE  53          2HE       PHE  53  -2.093  -5.020  -0.732
  527    HE2  PHE  53          1HE       PHE  53  -4.141  -2.613  -3.637
  528   1HZ   PHE  53           HZ       PHE  53  -4.180  -4.377  -1.897
  529    QB   PHE  53           QB       PHE  53   0.642  -1.378  -2.945
  530    QG   PHE  53           QD       PHE  53  -0.982  -2.701  -2.774
  531    QZ   PHE  53           QE       PHE  53  -3.117  -3.817  -2.185
  532    QZ   PHE  53           QR       PHE  53  -2.476  -3.482  -2.363
  533    H    THR  54           H        THR  54   1.352  -0.806  -5.803
  534    HA   THR  54           HA       THR  54   4.297  -0.400  -5.462
  535    HB   THR  54           HB       THR  54   3.011  -0.300  -8.182
  536    HG1  THR  54          1HG       THR  54   3.640  -2.530  -8.391
  537   1HG2  THR  54          2HG2      THR  54   5.730  -0.501  -7.000
  538   2HG2  THR  54          1HG2      THR  54   5.462  -1.356  -8.520
  539   3HG2  THR  54          3HG2      THR  54   5.183   0.383  -8.425
  540    QG2  THR  54           QG2      THR  54   5.458  -0.491  -7.982
  541    H    VAL  55           H        VAL  55   3.917   1.557  -4.408
  542    HA   VAL  55           HA       VAL  55   2.150   3.520  -5.747
  543    HB   VAL  55           HB       VAL  55   1.522   3.519  -3.537
  544   1HG1  VAL  55          2HG1      VAL  55   4.389   3.040  -2.745
  545   2HG1  VAL  55          1HG1      VAL  55   3.078   3.301  -1.601
  546   3HG1  VAL  55          3HG1      VAL  55   3.052   1.895  -2.665
  547   1HG2  VAL  55          3HG2      VAL  55   2.541   5.815  -4.244
  548   2HG2  VAL  55          2HG2      VAL  55   2.117   5.552  -2.550
  549   3HG2  VAL  55          1HG2      VAL  55   3.805   5.427  -3.066
  550    QG1  VAL  55           QG1      VAL  55   3.506   2.746  -2.337
  551    QG2  VAL  55           QG2      VAL  55   2.821   5.598  -3.286
  552    QQG  VAL  55           QQG      VAL  55   3.164   4.172  -2.812
  553    H    THR  56           H        THR  56   3.132   4.613  -7.301
  554    HA   THR  56           HA       THR  56   5.973   5.426  -7.070
  555    HB   THR  56           HB       THR  56   3.845   5.132  -9.163
  556    HG1  THR  56          1HG       THR  56   5.469   4.009 -10.149
  557   1HG2  THR  56          3HG2      THR  56   6.252   6.944  -9.522
  558   2HG2  THR  56          2HG2      THR  56   5.223   6.363 -10.832
  559   3HG2  THR  56          1HG2      THR  56   4.556   7.428  -9.593
  560    QG2  THR  56           QG2      THR  56   5.344   6.912  -9.982
  561    H    GLU  57           H        GLU  57   6.381   7.816  -7.745
  562    HA   GLU  57           HA       GLU  57   4.225   9.623  -6.707
  563   1HB   GLU  57          2HB       GLU  57   5.991   9.050  -5.011
  564   2HB   GLU  57          1HB       GLU  57   7.194   9.761  -6.088
  565   1HG   GLU  57          2HG       GLU  57   4.796  11.409  -5.419
  566   2HG   GLU  57          1HG       GLU  57   6.019  11.199  -4.166
  567    QB   GLU  57           QB       GLU  57   6.592   9.406  -5.549
  568    QG   GLU  57           QG       GLU  57   5.407  11.304  -4.793
   
  No H/Q in entry =         568
  Start of MODEL   28
    1   1H    MET   1          1HT       MET   1  -4.610 -12.968   8.630
    2   2H    MET   1          3HT       MET   1  -4.973 -14.524   8.060
    3   3H    MET   1          2HT       MET   1  -4.254 -14.326   9.587
    4    HA   MET   1           HA       MET   1  -2.209 -13.579   8.624
    5   1HB   MET   1          2HB       MET   1  -2.862 -16.024   8.813
    6   2HB   MET   1          1HB       MET   1  -3.294 -15.967   7.103
    7   1HG   MET   1          2HG       MET   1  -0.899 -15.007   6.764
    8   2HG   MET   1          1HG       MET   1  -0.578 -15.665   8.369
    9   1HE   MET   1          2HE       MET   1   1.127 -16.289   6.648
   10   2HE   MET   1          1HE       MET   1   1.313 -17.987   7.082
   11   3HE   MET   1          3HE       MET   1   0.975 -17.529   5.406
   12    QB   MET   1           QB       MET   1  -3.078 -15.996   7.958
   13    QG   MET   1           QG       MET   1  -0.738 -15.336   7.567
   14    QE   MET   1           QE       MET   1   1.138 -17.268   6.379
   15    H    THR   2           H        THR   2  -2.178 -11.708   7.329
   16    HA   THR   2           HA       THR   2  -2.551 -12.154   4.399
   17    HB   THR   2           HB       THR   2  -3.668  -9.863   6.053
   18    HG1  THR   2          1HG       THR   2  -4.934 -11.966   4.634
   19   1HG2  THR   2          1HG2      THR   2  -3.309 -10.326   3.141
   20   2HG2  THR   2          3HG2      THR   2  -4.865  -9.662   3.643
   21   3HG2  THR   2          2HG2      THR   2  -3.373  -8.811   4.041
   22    QG2  THR   2           QG2      THR   2  -3.849  -9.600   3.608
   23    H    THR   3           H        THR   3  -1.817  -9.340   6.493
   24    HA   THR   3           HA       THR   3  -0.016  -7.815   6.433
   25    HB   THR   3           HB       THR   3   1.429 -10.387   5.737
   26    HG1  THR   3          1HG       THR   3   0.784 -10.951   7.635
   27   1HG2  THR   3          3HG2      THR   3   2.313  -7.662   6.305
   28   2HG2  THR   3          2HG2      THR   3   2.978  -8.824   7.455
   29   3HG2  THR   3          1HG2      THR   3   3.244  -9.047   5.727
   30    QG2  THR   3           QG2      THR   3   2.845  -8.511   6.496
   31    H    PHE   4           H        PHE   4  -0.733  -6.666   4.511
   32    HA   PHE   4           HA       PHE   4   0.356  -7.512   1.889
   33   1HB   PHE   4          2HB       PHE   4  -1.612  -5.553   2.985
   34   2HB   PHE   4          1HB       PHE   4  -0.838  -5.130   1.457
   35    HD1  PHE   4          2HD       PHE   4  -0.826  -6.920  -0.405
   36    HD2  PHE   4          1HD       PHE   4  -3.402  -7.082   3.022
   37    HE1  PHE   4          2HE       PHE   4  -2.312  -8.505  -1.600
   38    HE2  PHE   4          1HE       PHE   4  -4.893  -8.662   1.826
   39   1HZ   PHE   4           HZ       PHE   4  -4.347  -9.373  -0.485
   40    QB   PHE   4           QB       PHE   4  -1.225  -5.341   2.221
   41    QG   PHE   4           QD       PHE   4  -2.114  -7.001   1.308
   42    QZ   PHE   4           QE       PHE   4  -3.602  -8.583   0.113
   43    QZ   PHE   4           QR       PHE   4  -3.156  -8.108   0.472
   44    H    LYS   5           H        LYS   5   1.932  -6.236   0.756
   45    HA   LYS   5           HA       LYS   5   3.505  -4.401   2.528
   46   1HB   LYS   5          2HB       LYS   5   4.261  -6.047   0.088
   47   2HB   LYS   5          1HB       LYS   5   5.378  -5.044   1.013
   48   1HG   LYS   5          2HG       LYS   5   5.755  -6.975   2.170
   49   2HG   LYS   5          1HG       LYS   5   4.275  -6.522   3.016
   50   1HD   LYS   5          2HD       LYS   5   3.619  -8.620   2.374
   51   2HD   LYS   5          1HD       LYS   5   3.197  -7.780   0.881
   52   1HE   LYS   5          2HE       LYS   5   5.511  -8.315   0.013
   53   2HE   LYS   5          1HE       LYS   5   5.743  -9.337   1.447
   54   1HZ   LYS   5          2HZ       LYS   5   3.600 -10.430   0.862
   55   2HZ   LYS   5          1HZ       LYS   5   3.619  -9.586  -0.612
   56   3HZ   LYS   5          3HZ       LYS   5   4.842 -10.708  -0.263
   57    QB   LYS   5           QB       LYS   5   4.820  -5.546   0.550
   58    QG   LYS   5           QG       LYS   5   5.015  -6.748   2.593
   59    QD   LYS   5           QD       LYS   5   3.408  -8.200   1.627
   60    QE   LYS   5           QE       LYS   5   5.627  -8.826   0.730
   61    QZ   LYS   5           QZ       LYS   5   4.020 -10.241  -0.004
   62    H    LEU   6           H        LEU   6   4.947  -2.943   0.814
   63    HA   LEU   6           HA       LEU   6   3.351  -1.911  -1.431
   64   1HB   LEU   6          2HB       LEU   6   2.245  -0.952   0.549
   65   2HB   LEU   6          1HB       LEU   6   3.790  -0.332   1.129
   66    HG   LEU   6           HG       LEU   6   3.846   0.833  -1.255
   67   1HD1  LEU   6          2HD1      LEU   6   1.042  -0.086  -0.899
   68   2HD1  LEU   6          1HD1      LEU   6   1.258   1.569  -1.471
   69   3HD1  LEU   6          3HD1      LEU   6   1.946   0.223  -2.381
   70   1HD2  LEU   6          1HD2      LEU   6   3.484   1.714   1.254
   71   2HD2  LEU   6          3HD2      LEU   6   3.327   2.783  -0.138
   72   3HD2  LEU   6          2HD2      LEU   6   1.887   2.093   0.609
   73    QB   LEU   6           QB       LEU   6   3.018  -0.642   0.839
   74    QD1  LEU   6           QD1      LEU   6   1.415   0.569  -1.583
   75    QD2  LEU   6           QD2      LEU   6   2.899   2.197   0.575
   76    QQD  LEU   6           QQD      LEU   6   2.157   1.383  -0.504
   77    H    ILE   7           H        ILE   7   5.067  -1.824  -2.856
   78    HA   ILE   7           HA       ILE   7   7.738  -0.929  -1.973
   79    HB   ILE   7           HB       ILE   7   6.609  -1.751  -4.674
   80   1HG1  ILE   7          2HG1      ILE   7   6.472  -3.563  -3.014
   81   2HG1  ILE   7          1HG1      ILE   7   7.708  -3.923  -4.216
   82   1HG2  ILE   7          3HG2      ILE   7   8.928  -0.380  -4.238
   83   2HG2  ILE   7          2HG2      ILE   7   9.498  -2.043  -4.096
   84   3HG2  ILE   7          1HG2      ILE   7   8.689  -1.512  -5.569
   85   1HD1  ILE   7          1HD1      ILE   7   9.400  -2.916  -2.593
   86   2HD1  ILE   7          3HD1      ILE   7   8.114  -2.925  -1.387
   87   3HD1  ILE   7          2HD1      ILE   7   8.676  -4.443  -2.086
   88    QG1  ILE   7           QG1      ILE   7   7.090  -3.743  -3.615
   89    QG2  ILE   7           QG2      ILE   7   9.038  -1.312  -4.634
   90    QD1  ILE   7           QD1      ILE   7   8.730  -3.428  -2.022
   91    H    ILE   8           H        ILE   8   8.394   1.186  -2.207
   92    HA   ILE   8           HA       ILE   8   6.544   3.008  -3.653
   93    HB   ILE   8           HB       ILE   8   8.865   3.952  -2.004
   94   1HG1  ILE   8          2HG1      ILE   8   7.564   2.132  -0.697
   95   2HG1  ILE   8          1HG1      ILE   8   7.748   3.690   0.077
   96   1HG2  ILE   8          2HG2      ILE   8   6.075   4.941  -2.644
   97   2HG2  ILE   8          1HG2      ILE   8   7.123   5.722  -1.457
   98   3HG2  ILE   8          3HG2      ILE   8   7.621   5.639  -3.145
   99   1HD1  ILE   8          1HD1      ILE   8   5.335   3.508  -1.570
  100   2HD1  ILE   8          3HD1      ILE   8   5.363   2.338  -0.254
  101   3HD1  ILE   8          2HD1      ILE   8   5.519   4.063   0.093
  102    QG1  ILE   8           QG1      ILE   8   7.656   2.911  -0.310
  103    QG2  ILE   8           QG2      ILE   8   6.940   5.434  -2.415
  104    QD1  ILE   8           QD1      ILE   8   5.406   3.303  -0.577
  105    H    ASN   9           H        ASN   9   7.168   3.473  -5.754
  106    HA   ASN   9           HA       ASN   9   9.889   3.003  -6.690
  107   1HB   ASN   9          2HB       ASN   9   7.732   4.562  -8.118
  108   2HB   ASN   9          1HB       ASN   9   9.015   3.599  -8.831
  109   1HD2  ASN   9          2HD2      ASN   9   5.590   1.798  -8.593
  110   2HD2  ASN   9          1HD2      ASN   9   5.902   3.435  -8.924
  111    QB   ASN   9           QB       ASN   9   8.374   4.081  -8.474
  112    QD2  ASN   9           QD2      ASN   9   5.746   2.617  -8.759
  113    H    GLY  10           H        GLY  10   8.055   5.763  -5.622
  114   1HA   GLY  10          2HA       GLY  10   9.725   7.834  -6.677
  115   2HA   GLY  10          1HA       GLY  10   8.638   8.014  -5.300
  116    QA   GLY  10           QA       GLY  10   9.181   7.924  -5.989
  117    H    LYS  11           H        LYS  11  10.711   9.407  -4.789
  118    HA   LYS  11           HA       LYS  11  12.690   7.697  -3.318
  119   1HB   LYS  11          2HB       LYS  11  14.194   9.666  -3.626
  120   2HB   LYS  11          1HB       LYS  11  13.623   9.016  -5.162
  121   1HG   LYS  11          2HG       LYS  11  12.295  10.846  -5.603
  122   2HG   LYS  11          1HG       LYS  11  11.978  11.162  -3.898
  123   1HD   LYS  11          2HD       LYS  11  13.405  12.932  -4.722
  124   2HD   LYS  11          1HD       LYS  11  14.378  11.902  -3.668
  125   1HE   LYS  11          2HE       LYS  11  15.390  10.789  -5.563
  126   2HE   LYS  11          1HE       LYS  11  14.279  11.597  -6.689
  127   1HZ   LYS  11          1HZ       LYS  11  16.169  12.992  -4.868
  128   2HZ   LYS  11          3HZ       LYS  11  16.428  12.752  -6.526
  129   3HZ   LYS  11          2HZ       LYS  11  15.139  13.727  -6.002
  130    QB   LYS  11           QB       LYS  11  13.908   9.341  -4.394
  131    QG   LYS  11           QG       LYS  11  12.137  11.004  -4.750
  132    QD   LYS  11           QD       LYS  11  13.891  12.417  -4.195
  133    QE   LYS  11           QE       LYS  11  14.834  11.193  -6.126
  134    QZ   LYS  11           QZ       LYS  11  15.912  13.157  -5.799
  135    H    THR  12           H        THR  12   9.984   8.803  -2.406
  136    HA   THR  12           HA       THR  12  10.804  10.736  -0.300
  137    HB   THR  12           HB       THR  12   8.086   9.581  -0.995
  138    HG1  THR  12          1HG       THR  12   9.440  11.879  -1.952
  139   1HG2  THR  12          1HG2      THR  12   9.072  11.886   0.669
  140   2HG2  THR  12          3HG2      THR  12   7.457  11.920  -0.040
  141   3HG2  THR  12          2HG2      THR  12   7.896  10.640   1.090
  142    QG2  THR  12           QG2      THR  12   8.142  11.482   0.573
  143    H    LEU  13           H        LEU  13   9.623   7.430  -0.714
  144    HA   LEU  13           HA       LEU  13  10.016   6.961   2.229
  145   1HB   LEU  13          2HB       LEU  13   7.916   6.228   0.254
  146   2HB   LEU  13          1HB       LEU  13   8.337   4.992   1.437
  147    HG   LEU  13           HG       LEU  13   7.613   7.842   2.154
  148   1HD1  LEU  13          3HD1      LEU  13   5.952   5.474   1.541
  149   2HD1  LEU  13          2HD1      LEU  13   5.586   6.237   3.093
  150   3HD1  LEU  13          1HD1      LEU  13   5.505   7.181   1.609
  151   1HD2  LEU  13          2HD2      LEU  13   8.399   5.375   3.645
  152   2HD2  LEU  13          1HD2      LEU  13   8.756   7.064   4.006
  153   3HD2  LEU  13          3HD2      LEU  13   7.163   6.401   4.369
  154    QB   LEU  13           QB       LEU  13   8.126   5.610   0.845
  155    QD1  LEU  13           QD1      LEU  13   5.681   6.297   2.081
  156    QD2  LEU  13           QD2      LEU  13   8.106   6.280   4.007
  157    QQD  LEU  13           QQD      LEU  13   6.894   6.289   3.044
  158    H    LYS  14           H        LYS  14   9.914   5.252  -0.920
  159    HA   LYS  14           HA       LYS  14  11.196   3.451  -1.751
  160   1HB   LYS  14          2HB       LYS  14  13.065   5.119  -0.076
  161   2HB   LYS  14          1HB       LYS  14  13.656   3.665  -0.881
  162   1HG   LYS  14          2HG       LYS  14  12.053   5.655  -2.455
  163   2HG   LYS  14          1HG       LYS  14  13.755   5.986  -2.128
  164   1HD   LYS  14          2HD       LYS  14  12.888   3.315  -3.221
  165   2HD   LYS  14          1HD       LYS  14  13.166   4.685  -4.297
  166   1HE   LYS  14          2HE       LYS  14  15.448   4.699  -3.915
  167   2HE   LYS  14          1HE       LYS  14  15.277   4.079  -2.260
  168   1HZ   LYS  14          3HZ       LYS  14  14.475   1.967  -3.246
  169   2HZ   LYS  14          2HZ       LYS  14  14.871   2.567  -4.785
  170   3HZ   LYS  14          1HZ       LYS  14  16.091   2.313  -3.631
  171    QB   LYS  14           QB       LYS  14  13.360   4.392  -0.478
  172    QG   LYS  14           QG       LYS  14  12.904   5.820  -2.291
  173    QD   LYS  14           QD       LYS  14  13.027   4.000  -3.759
  174    QE   LYS  14           QE       LYS  14  15.362   4.389  -3.088
  175    QZ   LYS  14           QZ       LYS  14  15.146   2.282  -3.887
  176    H    GLY  15           H        GLY  15   9.850   1.883  -0.504
  177   1HA   GLY  15          2HA       GLY  15  11.425   0.062   1.031
  178   2HA   GLY  15          1HA       GLY  15  10.454   1.028   2.141
  179    QA   GLY  15           QA       GLY  15  10.939   0.545   1.586
  180    H    GLU  16           H        GLU  16   9.709  -1.380   2.433
  181    HA   GLU  16           HA       GLU  16   7.515  -2.043   0.501
  182   1HB   GLU  16          2HB       GLU  16   8.928  -3.687   2.631
  183   2HB   GLU  16          1HB       GLU  16   7.744  -4.302   1.481
  184   1HG   GLU  16          2HG       GLU  16   9.461  -4.727   0.078
  185   2HG   GLU  16          1HG       GLU  16   9.643  -2.984  -0.113
  186    QB   GLU  16           QB       GLU  16   8.336  -3.994   2.056
  187    QG   GLU  16           QG       GLU  16   9.552  -3.856  -0.017
  188    H    ILE  17           H        ILE  17   8.242  -2.017   4.009
  189    HA   ILE  17           HA       ILE  17   6.838  -1.716   5.881
  190    HB   ILE  17           HB       ILE  17   5.324  -0.127   3.782
  191   1HG1  ILE  17          2HG1      ILE  17   7.687   0.543   3.959
  192   2HG1  ILE  17          1HG1      ILE  17   6.645   1.787   4.640
  193   1HG2  ILE  17          1HG2      ILE  17   5.279  -0.053   6.811
  194   2HG2  ILE  17          3HG2      ILE  17   4.598   1.215   5.792
  195   3HG2  ILE  17          2HG2      ILE  17   3.932  -0.417   5.732
  196   1HD1  ILE  17          2HD1      ILE  17   7.109   0.256   6.852
  197   2HD1  ILE  17          1HD1      ILE  17   8.626   0.044   5.980
  198   3HD1  ILE  17          3HD1      ILE  17   8.077   1.662   6.413
  199    QG1  ILE  17           QG1      ILE  17   7.166   1.165   4.299
  200    QG2  ILE  17           QG2      ILE  17   4.603   0.249   6.112
  201    QD1  ILE  17           QD1      ILE  17   7.937   0.654   6.415
  202    H    THR  18           H        THR  18   6.219  -4.022   5.830
  203    HA   THR  18           HA       THR  18   3.800  -4.883   4.436
  204    HB   THR  18           HB       THR  18   4.218  -6.966   5.665
  205    HG1  THR  18          1HG       THR  18   6.253  -5.575   7.050
  206   1HG2  THR  18          1HG2      THR  18   6.036  -5.733   3.926
  207   2HG2  THR  18          3HG2      THR  18   7.030  -6.366   5.238
  208   3HG2  THR  18          2HG2      THR  18   5.971  -7.447   4.334
  209    QG2  THR  18           QG2      THR  18   6.346  -6.515   4.500
  210    H    ILE  19           H        ILE  19   1.717  -5.073   5.323
  211    HA   ILE  19           HA       ILE  19   1.342  -4.361   8.200
  212    HB   ILE  19           HB       ILE  19  -0.380  -2.700   7.538
  213   1HG1  ILE  19          2HG1      ILE  19   0.056  -2.057   4.933
  214   2HG1  ILE  19          1HG1      ILE  19   0.267  -3.804   4.858
  215   1HG2  ILE  19          2HG2      ILE  19   2.144  -2.193   7.801
  216   2HG2  ILE  19          1HG2      ILE  19   2.163  -2.070   6.042
  217   3HG2  ILE  19          3HG2      ILE  19   1.148  -0.984   6.991
  218   1HD1  ILE  19          2HD1      ILE  19  -1.948  -3.819   6.303
  219   2HD1  ILE  19          1HD1      ILE  19  -2.168  -2.221   5.589
  220   3HD1  ILE  19          3HD1      ILE  19  -2.030  -3.640   4.549
  221    QG1  ILE  19           QG1      ILE  19   0.161  -2.931   4.896
  222    QG2  ILE  19           QG2      ILE  19   1.818  -1.749   6.945
  223    QD1  ILE  19           QD1      ILE  19  -2.049  -3.227   5.480
  224    H    GLU  20           H        GLU  20  -0.176  -5.643   9.137
  225    HA   GLU  20           HA       GLU  20  -1.517  -7.752   7.700
  226   1HB   GLU  20          2HB       GLU  20  -2.582  -8.127   9.916
  227   2HB   GLU  20          1HB       GLU  20  -0.844  -7.873  10.065
  228   1HG   GLU  20          2HG       GLU  20  -1.784  -5.300  10.250
  229   2HG   GLU  20          1HG       GLU  20  -3.083  -6.202  11.027
  230    QB   GLU  20           QB       GLU  20  -1.713  -8.000   9.991
  231    QG   GLU  20           QG       GLU  20  -2.434  -5.751  10.638
  232    H    ALA  21           H        ALA  21  -3.480  -7.715   6.671
  233    HA   ALA  21           HA       ALA  21  -5.496  -5.656   7.400
  234   1HB   ALA  21          1HB       ALA  21  -3.690  -5.126   5.454
  235   2HB   ALA  21          3HB       ALA  21  -4.907  -5.974   4.500
  236   3HB   ALA  21          2HB       ALA  21  -5.347  -4.524   5.403
  237    QB   ALA  21           QB       ALA  21  -4.648  -5.208   5.119
  238    H    VAL  22           H        VAL  22  -7.622  -6.270   6.768
  239    HA   VAL  22           HA       VAL  22  -8.316  -8.987   6.717
  240    HB   VAL  22           HB       VAL  22  -9.824  -7.116   7.244
  241   1HG1  VAL  22          1HG1      VAL  22  -8.830  -5.723   5.274
  242   2HG1  VAL  22          3HG1      VAL  22 -10.058  -6.529   4.299
  243   3HG1  VAL  22          2HG1      VAL  22 -10.538  -5.526   5.667
  244   1HG2  VAL  22          2HG2      VAL  22 -10.562  -9.412   6.088
  245   2HG2  VAL  22          1HG2      VAL  22 -11.736  -8.150   6.462
  246   3HG2  VAL  22          3HG2      VAL  22 -11.106  -8.310   4.823
  247    QG1  VAL  22           QG1      VAL  22  -9.809  -5.926   5.080
  248    QG2  VAL  22           QG2      VAL  22 -11.135  -8.624   5.791
  249    QQG  VAL  22           QQG      VAL  22 -10.472  -7.275   5.436
  250    H    ASP  23           H        ASP  23  -7.750  -6.785   3.986
  251    HA   ASP  23           HA       ASP  23  -7.169  -9.058   2.213
  252   1HB   ASP  23          2HB       ASP  23  -8.943  -8.355   0.584
  253   2HB   ASP  23          1HB       ASP  23  -9.609  -8.949   2.103
  254    QB   ASP  23           QB       ASP  23  -9.276  -8.652   1.343
  255    H    ALA  24           H        ALA  24  -6.739  -8.028  -0.121
  256    HA   ALA  24           HA       ALA  24  -4.664  -6.076   0.187
  257   1HB   ALA  24          2HB       ALA  24  -5.768  -7.760  -1.829
  258   2HB   ALA  24          1HB       ALA  24  -5.718  -6.127  -2.494
  259   3HB   ALA  24          3HB       ALA  24  -4.245  -6.874  -1.877
  260    QB   ALA  24           QB       ALA  24  -5.244  -6.921  -2.066
  261    H    ALA  25           H        ALA  25  -8.098  -5.805  -0.614
  262    HA   ALA  25           HA       ALA  25  -8.213  -3.150  -1.567
  263   1HB   ALA  25          1HB       ALA  25  -9.980  -5.114  -1.163
  264   2HB   ALA  25          3HB       ALA  25 -10.304  -4.189   0.304
  265   3HB   ALA  25          2HB       ALA  25 -10.500  -3.432  -1.277
  266    QB   ALA  25           QB       ALA  25 -10.261  -4.245  -0.712
  267    H    GLU  26           H        GLU  26  -8.324  -4.387   1.773
  268    HA   GLU  26           HA       GLU  26  -8.554  -1.784   3.033
  269   1HB   GLU  26          2HB       GLU  26  -8.944  -4.332   3.808
  270   2HB   GLU  26          1HB       GLU  26  -7.298  -4.126   4.405
  271   1HG   GLU  26          2HG       GLU  26  -8.328  -1.826   5.312
  272   2HG   GLU  26          1HG       GLU  26  -9.813  -2.779   5.279
  273    QB   GLU  26           QB       GLU  26  -8.121  -4.229   4.106
  274    QG   GLU  26           QG       GLU  26  -9.071  -2.302   5.295
  275    H    ALA  27           H        ALA  27  -5.827  -4.013   2.401
  276    HA   ALA  27           HA       ALA  27  -3.742  -2.528   3.633
  277   1HB   ALA  27          2HB       ALA  27  -3.736  -4.198   1.092
  278   2HB   ALA  27          1HB       ALA  27  -2.300  -3.751   2.015
  279   3HB   ALA  27          3HB       ALA  27  -3.514  -4.812   2.733
  280    QB   ALA  27           QB       ALA  27  -3.184  -4.254   1.947
  281    H    GLU  28           H        GLU  28  -5.040  -2.325   0.304
  282    HA   GLU  28           HA       GLU  28  -3.305  -0.304  -0.698
  283   1HB   GLU  28          2HB       GLU  28  -5.134  -1.786  -1.826
  284   2HB   GLU  28          1HB       GLU  28  -6.242  -0.494  -1.365
  285   1HG   GLU  28          2HG       GLU  28  -4.426   1.065  -2.464
  286   2HG   GLU  28          1HG       GLU  28  -3.944  -0.407  -3.306
  287    QB   GLU  28           QB       GLU  28  -5.688  -1.140  -1.596
  288    QG   GLU  28           QG       GLU  28  -4.185   0.329  -2.885
  289    H    LYS  29           H        LYS  29  -6.299  -0.081   1.225
  290    HA   LYS  29           HA       LYS  29  -6.500   2.813   1.126
  291   1HB   LYS  29          2HB       LYS  29  -7.541   0.672   3.009
  292   2HB   LYS  29          1HB       LYS  29  -8.016   2.366   3.112
  293   1HG   LYS  29          2HG       LYS  29  -8.382   1.791   0.422
  294   2HG   LYS  29          1HG       LYS  29  -8.879   0.296   1.215
  295   1HD   LYS  29          2HD       LYS  29 -10.874   1.398   1.406
  296   2HD   LYS  29          1HD       LYS  29 -10.099   2.094   2.830
  297   1HE   LYS  29          2HE       LYS  29 -10.590   4.098   1.834
  298   2HE   LYS  29          1HE       LYS  29  -9.180   3.747   0.815
  299   1HZ   LYS  29          1HZ       LYS  29 -10.704   2.435  -0.628
  300   2HZ   LYS  29          3HZ       LYS  29 -12.012   3.040   0.267
  301   3HZ   LYS  29          2HZ       LYS  29 -11.030   4.102  -0.624
  302    QB   LYS  29           QB       LYS  29  -7.779   1.519   3.060
  303    QG   LYS  29           QG       LYS  29  -8.630   1.044   0.818
  304    QD   LYS  29           QD       LYS  29 -10.487   1.746   2.118
  305    QE   LYS  29           QE       LYS  29  -9.885   3.922   1.324
  306    QZ   LYS  29           QZ       LYS  29 -11.249   3.192  -0.328
  307    H    ILE  30           H        ILE  30  -5.317   0.539   3.627
  308    HA   ILE  30           HA       ILE  30  -4.326   2.464   5.484
  309    HB   ILE  30           HB       ILE  30  -3.361  -0.341   4.791
  310   1HG1  ILE  30          2HG1      ILE  30  -5.120   0.317   7.123
  311   2HG1  ILE  30          1HG1      ILE  30  -5.856   0.250   5.522
  312   1HG2  ILE  30          3HG2      ILE  30  -2.002   1.377   6.365
  313   2HG2  ILE  30          2HG2      ILE  30  -3.166   0.783   7.546
  314   3HG2  ILE  30          1HG2      ILE  30  -2.098  -0.347   6.716
  315   1HD1  ILE  30          3HD1      ILE  30  -4.017  -1.978   6.239
  316   2HD1  ILE  30          2HD1      ILE  30  -5.571  -1.934   7.071
  317   3HD1  ILE  30          1HD1      ILE  30  -5.515  -2.011   5.310
  318    QG1  ILE  30           QG1      ILE  30  -5.488   0.283   6.323
  319    QG2  ILE  30           QG2      ILE  30  -2.422   0.604   6.876
  320    QD1  ILE  30           QD1      ILE  30  -5.035  -1.974   6.207
  321    H    PHE  31           H        PHE  31  -2.909   1.016   2.587
  322    HA   PHE  31           HA       PHE  31  -0.276   2.238   2.939
  323   1HB   PHE  31          2HB       PHE  31  -1.773   0.658   0.867
  324   2HB   PHE  31          1HB       PHE  31  -0.304   1.505   0.379
  325    HD1  PHE  31          1HD       PHE  31   1.539   1.307   2.513
  326    HD2  PHE  31          2HD       PHE  31  -1.367  -1.593   1.257
  327    HE1  PHE  31          1HE       PHE  31   2.917  -0.502   3.509
  328    HE2  PHE  31          2HE       PHE  31   0.009  -3.403   2.253
  329   1HZ   PHE  31           HZ       PHE  31   2.150  -2.857   3.378
  330    QB   PHE  31           QB       PHE  31  -1.038   1.081   0.623
  331    QG   PHE  31           QD       PHE  31   0.086  -0.143   1.885
  332    QZ   PHE  31           QE       PHE  31   1.463  -1.952   2.881
  333    QZ   PHE  31           QR       PHE  31   1.050  -1.410   2.582
  334    H    LYS  32           H        LYS  32  -3.270   2.954   1.200
  335    HA   LYS  32           HA       LYS  32  -2.248   5.213  -0.267
  336   1HB   LYS  32          2HB       LYS  32  -4.924   4.014   0.335
  337   2HB   LYS  32          1HB       LYS  32  -4.830   5.593  -0.441
  338   1HG   LYS  32          2HG       LYS  32  -3.591   4.724  -2.290
  339   2HG   LYS  32          1HG       LYS  32  -3.305   3.191  -1.466
  340   1HD   LYS  32          2HD       LYS  32  -5.074   2.846  -3.082
  341   2HD   LYS  32          1HD       LYS  32  -5.795   2.808  -1.474
  342   1HE   LYS  32          2HE       LYS  32  -5.825   5.535  -2.290
  343   2HE   LYS  32          1HE       LYS  32  -6.415   4.581  -3.665
  344   1HZ   LYS  32          3HZ       LYS  32  -7.316   4.133  -0.873
  345   2HZ   LYS  32          2HZ       LYS  32  -8.142   5.146  -1.959
  346   3HZ   LYS  32          1HZ       LYS  32  -7.985   3.488  -2.292
  347    QB   LYS  32           QB       LYS  32  -4.877   4.804  -0.053
  348    QG   LYS  32           QG       LYS  32  -3.448   3.958  -1.878
  349    QD   LYS  32           QD       LYS  32  -5.435   2.827  -2.278
  350    QE   LYS  32           QE       LYS  32  -6.120   5.058  -2.977
  351    QZ   LYS  32           QZ       LYS  32  -7.814   4.256  -1.708
  352    H    GLN  33           H        GLN  33  -2.806   4.861   3.031
  353    HA   GLN  33           HA       GLN  33  -3.606   7.746   3.387
  354   1HB   GLN  33          2HB       GLN  33  -3.568   5.271   5.154
  355   2HB   GLN  33          1HB       GLN  33  -3.823   6.889   5.810
  356   1HG   GLN  33          2HG       GLN  33  -5.507   5.741   3.574
  357   2HG   GLN  33          1HG       GLN  33  -5.947   5.599   5.276
  358   1HE2  GLN  33          2HE2      GLN  33  -6.744   9.075   5.627
  359   2HE2  GLN  33          1HE2      GLN  33  -6.266   7.689   6.485
  360    QB   GLN  33           QB       GLN  33  -3.696   6.080   5.482
  361    QG   GLN  33           QG       GLN  33  -5.727   5.670   4.425
  362    QE2  GLN  33           QE2      GLN  33  -6.505   8.382   6.056
  363    H    TYR  34           H        TYR  34  -1.437   5.188   4.315
  364    HA   TYR  34           HA       TYR  34   0.633   6.487   5.717
  365   1HB   TYR  34          2HB       TYR  34   0.546   4.133   5.594
  366   2HB   TYR  34          1HB       TYR  34   0.193   4.150   3.861
  367    HD1  TYR  34          2HD       TYR  34   2.037   4.443   2.231
  368    HD2  TYR  34          1HD       TYR  34   2.821   4.245   6.449
  369    HE1  TYR  34          2HE       TYR  34   4.443   4.065   1.768
  370    HE2  TYR  34          1HE       TYR  34   5.228   3.868   5.985
  371    HH   TYR  34           HH       TYR  34   6.838   4.223   4.239
  372    QB   TYR  34           QB       TYR  34   0.370   4.141   4.728
  373    QG   TYR  34           QD       TYR  34   2.429   4.344   4.340
  374    QZ   TYR  34           QE       TYR  34   4.836   3.967   3.876
  375    QR   TYR  34           QR       TYR  34   3.632   4.155   4.108
  376    H    ALA  35           H        ALA  35  -0.121   6.325   2.272
  377    HA   ALA  35           HA       ALA  35   2.307   7.394   1.147
  378   1HB   ALA  35          3HB       ALA  35  -0.494   6.829   0.386
  379   2HB   ALA  35          2HB       ALA  35   0.220   8.186  -0.494
  380   3HB   ALA  35          1HB       ALA  35   0.989   6.595  -0.543
  381    QB   ALA  35           QB       ALA  35   0.238   7.203  -0.217
  382    H    ASN  36           H        ASN  36  -0.870   8.963   1.632
  383    HA   ASN  36           HA       ASN  36  -0.091  11.654   1.200
  384   1HB   ASN  36          2HB       ASN  36  -2.230  10.350   2.901
  385   2HB   ASN  36          1HB       ASN  36  -2.176  12.087   2.595
  386   1HD2  ASN  36          2HD2      ASN  36  -3.434   9.561  -0.345
  387   2HD2  ASN  36          1HD2      ASN  36  -2.843   8.952   1.125
  388    QB   ASN  36           QB       ASN  36  -2.203  11.218   2.748
  389    QD2  ASN  36           QD2      ASN  36  -3.139   9.257   0.390
  390    H    ASP  37           H        ASP  37  -0.160   9.749   4.209
  391    HA   ASP  37           HA       ASP  37   0.375  11.689   6.144
  392   1HB   ASP  37          2HB       ASP  37  -0.018   9.260   6.506
  393   2HB   ASP  37          1HB       ASP  37   1.602   8.929   5.894
  394    QB   ASP  37           QB       ASP  37   0.792   9.095   6.200
  395    H    ASN  38           H        ASN  38   2.536  10.433   3.729
  396    HA   ASN  38           HA       ASN  38   4.800  11.968   4.862
  397   1HB   ASN  38          2HB       ASN  38   4.436   9.433   3.472
  398   2HB   ASN  38          1HB       ASN  38   5.663  10.424   2.686
  399   1HD2  ASN  38          2HD2      ASN  38   8.036   9.978   5.258
  400   2HD2  ASN  38          1HD2      ASN  38   7.683  10.669   3.749
  401    QB   ASN  38           QB       ASN  38   5.050   9.929   3.079
  402    QD2  ASN  38           QD2      ASN  38   7.859  10.324   4.503
  403    H    GLY  39           H        GLY  39   3.187  11.274   1.766
  404   1HA   GLY  39          2HA       GLY  39   2.567  13.504   0.556
  405   2HA   GLY  39          1HA       GLY  39   4.312  13.781   0.615
  406    QA   GLY  39           QA       GLY  39   3.439  13.642   0.585
  407    H    ILE  40           H        ILE  40   2.044  11.163  -0.253
  408    HA   ILE  40           HA       ILE  40   3.882  10.414  -2.504
  409    HB   ILE  40           HB       ILE  40   1.979   8.966  -0.690
  410   1HG1  ILE  40          2HG1      ILE  40   4.589   9.822  -0.260
  411   2HG1  ILE  40          1HG1      ILE  40   3.744   8.604   0.673
  412   1HG2  ILE  40          2HG2      ILE  40   1.970   7.960  -2.957
  413   2HG2  ILE  40          1HG2      ILE  40   3.716   7.736  -2.833
  414   3HG2  ILE  40          3HG2      ILE  40   2.636   6.879  -1.731
  415   1HD1  ILE  40          3HD1      ILE  40   5.248   7.898  -1.835
  416   2HD1  ILE  40          2HD1      ILE  40   6.053   7.990  -0.265
  417   3HD1  ILE  40          1HD1      ILE  40   4.741   6.836  -0.517
  418    QG1  ILE  40           QG1      ILE  40   4.166   9.213   0.206
  419    QG2  ILE  40           QG2      ILE  40   2.774   7.525  -2.507
  420    QD1  ILE  40           QD1      ILE  40   5.347   7.575  -0.872
  421    H    ASP  41           H        ASP  41   2.987  10.620  -4.533
  422    HA   ASP  41           HA       ASP  41   0.210  10.039  -5.142
  423   1HB   ASP  41          2HB       ASP  41   0.577  12.466  -3.960
  424   2HB   ASP  41          1HB       ASP  41   0.792  12.906  -5.654
  425    QB   ASP  41           QB       ASP  41   0.685  12.686  -4.807
  426    H    GLY  42           H        GLY  42   1.176   8.814  -6.853
  427   1HA   GLY  42          2HA       GLY  42   1.794  10.343  -9.262
  428   2HA   GLY  42          1HA       GLY  42   3.182   9.462  -8.625
  429    QA   GLY  42           QA       GLY  42   2.488   9.903  -8.943
  430    H    GLU  43           H        GLU  43   1.953   7.125  -7.704
  431    HA   GLU  43           HA       GLU  43   0.397   6.000  -9.976
  432   1HB   GLU  43          2HB       GLU  43   2.884   5.949 -10.481
  433   2HB   GLU  43          1HB       GLU  43   3.073   4.867  -9.098
  434   1HG   GLU  43          2HG       GLU  43   1.937   3.124 -10.135
  435   2HG   GLU  43          1HG       GLU  43   1.018   4.205 -11.182
  436    QB   GLU  43           QB       GLU  43   2.979   5.408  -9.790
  437    QG   GLU  43           QG       GLU  43   1.478   3.664 -10.658
  438    H    TRP  44           H        TRP  44  -0.197   3.683  -9.505
  439    HA   TRP  44           HA       TRP  44   0.076   2.625  -6.773
  440   1HB   TRP  44          2HB       TRP  44  -2.383   4.068  -7.758
  441   2HB   TRP  44          1HB       TRP  44  -2.584   2.649  -6.722
  442    HD1  TRP  44           HD       TRP  44  -1.686   6.286  -6.589
  443    HE1  TRP  44          1HE       TRP  44  -1.104   6.917  -4.156
  444    HE3  TRP  44          3HE       TRP  44  -1.503   1.637  -4.543
  445    HZ2  TRP  44          2HZ       TRP  44  -0.621   5.600  -1.656
  446    HZ3  TRP  44          3HZ       TRP  44  -0.981   1.344  -2.125
  447    HH2  TRP  44           HH       TRP  44  -0.538   3.320  -0.693
  448    QB   TRP  44           QB       TRP  44  -2.484   3.359  -7.240
  449    H    THR  45           H        THR  45   0.353   0.487  -7.298
  450    HA   THR  45           HA       THR  45  -1.623  -0.774  -9.149
  451    HB   THR  45           HB       THR  45   0.099  -1.782 -10.461
  452    HG1  THR  45          1HG       THR  45   1.936  -2.222  -9.593
  453   1HG2  THR  45          1HG2      THR  45  -0.295   0.589 -11.006
  454   2HG2  THR  45          3HG2      THR  45   0.966   1.056  -9.863
  455   3HG2  THR  45          2HG2      THR  45   1.384   0.139 -11.314
  456    QG2  THR  45           QG2      THR  45   0.685   0.595 -10.728
  457    H    TYR  46           H        TYR  46  -2.339  -2.657  -8.303
  458    HA   TYR  46           HA       TYR  46  -1.021  -3.710  -5.866
  459   1HB   TYR  46          2HB       TYR  46  -3.396  -3.321  -5.751
  460   2HB   TYR  46          1HB       TYR  46  -3.672  -4.214  -7.250
  461    HD1  TYR  46          2HD       TYR  46  -1.766  -4.860  -4.079
  462    HD2  TYR  46          1HD       TYR  46  -4.680  -6.293  -6.888
  463    HE1  TYR  46          2HE       TYR  46  -1.962  -6.968  -2.798
  464    HE2  TYR  46          1HE       TYR  46  -4.870  -8.410  -5.608
  465    HH   TYR  46           HH       TYR  46  -2.784  -9.552  -3.623
  466    QB   TYR  46           QB       TYR  46  -3.534  -3.768  -6.501
  467    QG   TYR  46           QD       TYR  46  -3.223  -5.576  -5.483
  468    QZ   TYR  46           QE       TYR  46  -3.416  -7.689  -4.203
  469    QR   TYR  46           QR       TYR  46  -3.320  -6.633  -4.843
  470    H    ASP  47           H        ASP  47  -0.216  -5.836  -5.744
  471    HA   ASP  47           HA       ASP  47   0.105  -7.266  -8.361
  472   1HB   ASP  47          2HB       ASP  47   2.075  -6.170  -6.998
  473   2HB   ASP  47          1HB       ASP  47   1.904  -7.595  -5.972
  474    QB   ASP  47           QB       ASP  47   1.989  -6.882  -6.485
  475    H    ASP  48           H        ASP  48  -1.611  -8.737  -8.210
  476    HA   ASP  48           HA       ASP  48  -2.363 -10.101  -5.771
  477   1HB   ASP  48          2HB       ASP  48  -3.782 -11.404  -7.344
  478   2HB   ASP  48          1HB       ASP  48  -3.896  -9.669  -7.637
  479    QB   ASP  48           QB       ASP  48  -3.839 -10.536  -7.490
  480    H    ALA  49           H        ALA  49   0.372 -10.534  -7.683
  481    HA   ALA  49           HA       ALA  49   0.498 -13.473  -7.413
  482   1HB   ALA  49          1HB       ALA  49   1.278 -11.800  -9.355
  483   2HB   ALA  49          3HB       ALA  49   2.752 -11.764  -8.388
  484   3HB   ALA  49          2HB       ALA  49   2.155 -13.295  -9.028
  485    QB   ALA  49           QB       ALA  49   2.062 -12.287  -8.924
  486    H    THR  50           H        THR  50   1.726 -10.537  -5.908
  487    HA   THR  50           HA       THR  50   3.231 -12.242  -3.954
  488    HB   THR  50           HB       THR  50   4.935 -10.425  -3.945
  489    HG1  THR  50          1HG       THR  50   4.435  -8.616  -4.847
  490   1HG2  THR  50          1HG2      THR  50   4.903 -12.444  -5.575
  491   2HG2  THR  50          3HG2      THR  50   4.476 -11.252  -6.802
  492   3HG2  THR  50          2HG2      THR  50   6.001 -11.107  -5.927
  493    QG2  THR  50           QG2      THR  50   5.127 -11.601  -6.101
  494    H    LYS  51           H        LYS  51   0.574 -10.374  -4.281
  495    HA   LYS  51           HA       LYS  51  -0.714  -9.052  -2.812
  496   1HB   LYS  51          2HB       LYS  51   1.156 -10.402  -0.833
  497   2HB   LYS  51          1HB       LYS  51  -0.380  -9.640  -0.426
  498   1HG   LYS  51          2HG       LYS  51  -0.521 -11.640  -2.603
  499   2HG   LYS  51          1HG       LYS  51  -0.107 -12.293  -1.019
  500   1HD   LYS  51          2HD       LYS  51  -2.088 -10.967  -0.103
  501   2HD   LYS  51          1HD       LYS  51  -2.562 -10.699  -1.781
  502   1HE   LYS  51          2HE       LYS  51  -2.018 -13.484  -0.721
  503   2HE   LYS  51          1HE       LYS  51  -3.627 -12.738  -0.625
  504   1HZ   LYS  51          2HZ       LYS  51  -3.402 -12.216  -3.029
  505   2HZ   LYS  51          1HZ       LYS  51  -1.992 -13.163  -3.068
  506   3HZ   LYS  51          3HZ       LYS  51  -3.485 -13.880  -2.701
  507    QB   LYS  51           QB       LYS  51   0.388 -10.021  -0.630
  508    QG   LYS  51           QG       LYS  51  -0.314 -11.967  -1.811
  509    QD   LYS  51           QD       LYS  51  -2.325 -10.833  -0.942
  510    QE   LYS  51           QE       LYS  51  -2.823 -13.111  -0.673
  511    QZ   LYS  51           QZ       LYS  51  -2.960 -13.086  -2.933
  512    H    THR  52           H        THR  52   1.390  -7.660  -4.056
  513    HA   THR  52           HA       THR  52   2.178  -5.748  -1.874
  514    HB   THR  52           HB       THR  52   3.857  -6.661  -4.230
  515    HG1  THR  52          1HG       THR  52   4.734  -8.073  -2.903
  516   1HG2  THR  52          1HG2      THR  52   4.132  -4.317  -3.081
  517   2HG2  THR  52          3HG2      THR  52   4.860  -5.254  -1.776
  518   3HG2  THR  52          2HG2      THR  52   5.560  -5.306  -3.395
  519    QG2  THR  52           QG2      THR  52   4.851  -4.959  -2.751
  520    H    PHE  53           H        PHE  53   1.765  -3.612  -2.376
  521    HA   PHE  53           HA       PHE  53   0.558  -3.008  -5.004
  522   1HB   PHE  53          2HB       PHE  53   0.872  -1.518  -2.388
  523   2HB   PHE  53          1HB       PHE  53   0.086  -0.811  -3.802
  524    HD1  PHE  53          2HD       PHE  53  -0.050  -3.694  -1.431
  525    HD2  PHE  53          1HD       PHE  53  -2.175  -1.345  -4.346
  526    HE1  PHE  53          2HE       PHE  53  -2.165  -4.862  -0.837
  527    HE2  PHE  53          1HE       PHE  53  -4.272  -2.521  -3.752
  528   1HZ   PHE  53           HZ       PHE  53  -4.268  -4.275  -2.005
  529    QB   PHE  53           QB       PHE  53   0.479  -1.164  -3.095
  530    QG   PHE  53           QD       PHE  53  -1.113  -2.519  -2.889
  531    QZ   PHE  53           QE       PHE  53  -3.218  -3.691  -2.295
  532    QZ   PHE  53           QR       PHE  53  -2.586  -3.339  -2.474
  533    H    THR  54           H        THR  54   1.286  -0.399  -5.551
  534    HA   THR  54           HA       THR  54   4.216  -0.102  -5.308
  535    HB   THR  54           HB       THR  54   3.107  -0.136  -8.093
  536    HG1  THR  54          1HG       THR  54   3.585  -2.398  -8.165
  537   1HG2  THR  54          2HG2      THR  54   5.549   0.382  -7.122
  538   2HG2  THR  54          1HG2      THR  54   5.694  -1.367  -7.291
  539   3HG2  THR  54          3HG2      THR  54   5.306  -0.375  -8.696
  540    QG2  THR  54           QG2      THR  54   5.517  -0.453  -7.703
  541    H    VAL  55           H        VAL  55   3.817   1.937  -4.407
  542    HA   VAL  55           HA       VAL  55   2.265   3.845  -6.087
  543    HB   VAL  55           HB       VAL  55   1.359   3.393  -3.860
  544   1HG1  VAL  55          2HG1      VAL  55   4.157   4.149  -2.992
  545   2HG1  VAL  55          1HG1      VAL  55   2.784   4.170  -1.880
  546   3HG1  VAL  55          3HG1      VAL  55   3.268   2.656  -2.650
  547   1HG2  VAL  55          1HG2      VAL  55   2.685   6.108  -4.105
  548   2HG2  VAL  55          3HG2      VAL  55   1.076   5.667  -4.674
  549   3HG2  VAL  55          2HG2      VAL  55   1.413   5.727  -2.941
  550    QG1  VAL  55           QG1      VAL  55   3.403   3.658  -2.507
  551    QG2  VAL  55           QG2      VAL  55   1.725   5.834  -3.907
  552    QQG  VAL  55           QQG      VAL  55   2.564   4.746  -3.207
  553    H    THR  56           H        THR  56   3.141   5.857  -6.590
  554    HA   THR  56           HA       THR  56   5.889   6.486  -5.640
  555    HB   THR  56           HB       THR  56   5.871   5.039  -7.745
  556    HG1  THR  56          1HG       THR  56   7.414   6.450  -8.772
  557   1HG2  THR  56          1HG2      THR  56   3.940   6.804  -8.619
  558   2HG2  THR  56          3HG2      THR  56   5.382   7.344  -9.480
  559   3HG2  THR  56          2HG2      THR  56   4.835   5.673  -9.636
  560    QG2  THR  56           QG2      THR  56   4.719   6.607  -9.245
  561    H    GLU  57           H        GLU  57   6.444   8.711  -7.068
  562    HA   GLU  57           HA       GLU  57   4.053  10.482  -6.653
  563   1HB   GLU  57          2HB       GLU  57   7.021  11.014  -6.263
  564   2HB   GLU  57          1HB       GLU  57   5.734  12.186  -5.981
  565   1HG   GLU  57          2HG       GLU  57   5.753  11.406  -3.847
  566   2HG   GLU  57          1HG       GLU  57   4.865  10.033  -4.502
  567    QB   GLU  57           QB       GLU  57   6.378  11.600  -6.122
  568    QG   GLU  57           QG       GLU  57   5.309  10.720  -4.175
   
  No H/Q in entry =         568
  Start of MODEL   29
    1   1H    MET   1          3HT       MET   1  -3.997 -14.450   7.822
    2   2H    MET   1          2HT       MET   1  -3.842 -15.786   6.785
    3   3H    MET   1          1HT       MET   1  -3.245 -15.867   8.373
    4    HA   MET   1           HA       MET   1  -1.552 -14.234   7.884
    5   1HB   MET   1          2HB       MET   1  -1.895 -16.554   5.961
    6   2HB   MET   1          1HB       MET   1  -0.380 -15.670   6.151
    7   1HG   MET   1          2HG       MET   1  -0.787 -16.168   8.721
    8   2HG   MET   1          1HG       MET   1  -1.766 -17.491   8.085
    9   1HE   MET   1          1HE       MET   1  -0.906 -19.496   8.351
   10   2HE   MET   1          3HE       MET   1   0.775 -20.042   8.286
   11   3HE   MET   1          2HE       MET   1   0.238 -18.987   9.590
   12    QB   MET   1           QB       MET   1  -1.138 -16.112   6.056
   13    QG   MET   1           QG       MET   1  -1.276 -16.829   8.403
   14    QE   MET   1           QE       MET   1   0.035 -19.508   8.743
   15    H    THR   2           H        THR   2  -2.829 -12.295   7.101
   16    HA   THR   2           HA       THR   2  -2.687 -12.027   4.112
   17    HB   THR   2           HB       THR   2  -4.534 -10.683   6.113
   18    HG1  THR   2          1HG       THR   2  -5.070 -12.704   4.201
   19   1HG2  THR   2          1HG2      THR   2  -4.110 -10.463   3.160
   20   2HG2  THR   2          3HG2      THR   2  -5.754 -10.322   3.782
   21   3HG2  THR   2          2HG2      THR   2  -4.504  -9.205   4.330
   22    QG2  THR   2           QG2      THR   2  -4.789  -9.996   3.757
   23    H    THR   3           H        THR   3  -0.372 -11.345   4.666
   24    HA   THR   3           HA       THR   3  -0.201  -8.598   5.826
   25    HB   THR   3           HB       THR   3   1.978 -10.570   5.074
   26    HG1  THR   3          1HG       THR   3   1.541 -11.558   6.860
   27   1HG2  THR   3          1HG2      THR   3   2.243  -7.933   5.597
   28   2HG2  THR   3          3HG2      THR   3   2.278  -8.564   7.244
   29   3HG2  THR   3          2HG2      THR   3   3.456  -9.126   6.058
   30    QG2  THR   3           QG2      THR   3   2.659  -8.541   6.300
   31    H    PHE   4           H        PHE   4  -0.516  -7.086   4.226
   32    HA   PHE   4           HA       PHE   4   0.466  -7.594   1.475
   33   1HB   PHE   4          2HB       PHE   4  -1.249  -5.515   2.846
   34   2HB   PHE   4          1HB       PHE   4  -0.739  -5.336   1.167
   35    HD1  PHE   4          1HD       PHE   4  -1.133  -7.422  -0.377
   36    HD2  PHE   4          2HD       PHE   4  -3.195  -6.718   3.321
   37    HE1  PHE   4          1HE       PHE   4  -2.937  -8.966  -1.092
   38    HE2  PHE   4          2HE       PHE   4  -5.002  -8.252   2.605
   39   1HZ   PHE   4           HZ       PHE   4  -4.873  -9.383   0.402
   40    QB   PHE   4           QB       PHE   4  -0.994  -5.426   2.007
   41    QG   PHE   4           QD       PHE   4  -2.164  -7.070   1.472
   42    QZ   PHE   4           QE       PHE   4  -3.970  -8.609   0.756
   43    QZ   PHE   4           QR       PHE   4  -3.428  -8.148   0.972
   44    H    LYS   5           H        LYS   5   2.149  -6.433   0.547
   45    HA   LYS   5           HA       LYS   5   3.759  -4.714   2.393
   46   1HB   LYS   5          2HB       LYS   5   4.446  -6.177  -0.185
   47   2HB   LYS   5          1HB       LYS   5   5.596  -5.294   0.820
   48   1HG   LYS   5          2HG       LYS   5   5.922  -7.358   1.756
   49   2HG   LYS   5          1HG       LYS   5   4.498  -6.910   2.694
   50   1HD   LYS   5          2HD       LYS   5   3.127  -8.356   1.564
   51   2HD   LYS   5          1HD       LYS   5   3.983  -8.136   0.037
   52   1HE   LYS   5          2HE       LYS   5   5.870  -9.513   0.927
   53   2HE   LYS   5          1HE       LYS   5   4.920  -9.806   2.397
   54   1HZ   LYS   5          2HZ       LYS   5   3.950 -10.357  -0.355
   55   2HZ   LYS   5          1HZ       LYS   5   4.610 -11.538   0.671
   56   3HZ   LYS   5          3HZ       LYS   5   3.170 -10.755   1.101
   57    QB   LYS   5           QB       LYS   5   5.021  -5.736   0.317
   58    QG   LYS   5           QG       LYS   5   5.210  -7.134   2.225
   59    QD   LYS   5           QD       LYS   5   3.555  -8.246   0.801
   60    QE   LYS   5           QE       LYS   5   5.395  -9.659   1.662
   61    QZ   LYS   5           QZ       LYS   5   3.910 -10.883   0.472
   62    H    LEU   6           H        LEU   6   5.230  -3.294   0.512
   63    HA   LEU   6           HA       LEU   6   3.522  -2.081  -1.523
   64   1HB   LEU   6          2HB       LEU   6   2.516  -1.178   0.507
   65   2HB   LEU   6          1HB       LEU   6   4.093  -0.668   1.104
   66    HG   LEU   6           HG       LEU   6   4.248   0.757  -1.041
   67   1HD1  LEU   6          2HD1      LEU   6   1.290   0.102  -1.011
   68   2HD1  LEU   6          1HD1      LEU   6   2.015   1.400  -1.961
   69   3HD1  LEU   6          3HD1      LEU   6   2.440  -0.279  -2.292
   70   1HD2  LEU   6          1HD2      LEU   6   3.445   1.354   1.461
   71   2HD2  LEU   6          3HD2      LEU   6   3.477   2.553   0.168
   72   3HD2  LEU   6          2HD2      LEU   6   1.964   1.752   0.590
   73    QB   LEU   6           QB       LEU   6   3.304  -0.923   0.805
   74    QD1  LEU   6           QD1      LEU   6   1.915   0.408  -1.755
   75    QD2  LEU   6           QD2      LEU   6   2.962   1.887   0.739
   76    QQD  LEU   6           QQD      LEU   6   2.438   1.147  -0.508
   77    H    ILE   7           H        ILE   7   5.192  -2.055  -3.009
   78    HA   ILE   7           HA       ILE   7   7.918  -1.236  -2.282
   79    HB   ILE   7           HB       ILE   7   6.541  -1.832  -4.932
   80   1HG1  ILE   7          2HG1      ILE   7   8.494  -3.656  -3.566
   81   2HG1  ILE   7          1HG1      ILE   7   6.825  -3.627  -2.997
   82   1HG2  ILE   7          2HG2      ILE   7   9.325  -1.090  -4.177
   83   2HG2  ILE   7          1HG2      ILE   7   9.143  -2.377  -5.368
   84   3HG2  ILE   7          3HG2      ILE   7   8.448  -0.787  -5.676
   85   1HD1  ILE   7          1HD1      ILE   7   6.102  -3.979  -5.399
   86   2HD1  ILE   7          3HD1      ILE   7   7.799  -4.256  -5.795
   87   3HD1  ILE   7          2HD1      ILE   7   6.965  -5.340  -4.682
   88    QG1  ILE   7           QG1      ILE   7   7.660  -3.642  -3.282
   89    QG2  ILE   7           QG2      ILE   7   8.972  -1.418  -5.074
   90    QD1  ILE   7           QD1      ILE   7   6.955  -4.525  -5.292
   91    H    ILE   8           H        ILE   8   8.364   0.935  -2.084
   92    HA   ILE   8           HA       ILE   8   6.522   2.879  -3.310
   93    HB   ILE   8           HB       ILE   8   9.012   3.547  -1.745
   94   1HG1  ILE   8          2HG1      ILE   8   7.611   1.767  -0.519
   95   2HG1  ILE   8          1HG1      ILE   8   7.891   3.261   0.351
   96   1HG2  ILE   8          2HG2      ILE   8   6.319   4.842  -2.234
   97   2HG2  ILE   8          1HG2      ILE   8   7.442   5.418  -0.993
   98   3HG2  ILE   8          3HG2      ILE   8   7.920   5.441  -2.692
   99   1HD1  ILE   8          3HD1      ILE   8   5.482   3.406  -1.265
  100   2HD1  ILE   8          2HD1      ILE   8   5.419   2.061  -0.130
  101   3HD1  ILE   8          1HD1      ILE   8   5.686   3.702   0.460
  102    QG1  ILE   8           QG1      ILE   8   7.751   2.514  -0.084
  103    QG2  ILE   8           QG2      ILE   8   7.227   5.234  -1.973
  104    QD1  ILE   8           QD1      ILE   8   5.529   3.056  -0.312
  105    H    ASN   9           H        ASN   9   6.973   3.025  -5.522
  106    HA   ASN   9           HA       ASN   9   9.681   2.963  -6.589
  107   1HB   ASN   9          2HB       ASN   9   7.681   2.147  -7.780
  108   2HB   ASN   9          1HB       ASN   9   7.018   3.775  -7.778
  109   1HD2  ASN   9          2HD2      ASN   9   8.573   4.382 -10.878
  110   2HD2  ASN   9          1HD2      ASN   9   7.159   4.466  -9.940
  111    QB   ASN   9           QB       ASN   9   7.349   2.961  -7.779
  112    QD2  ASN   9           QD2      ASN   9   7.866   4.424 -10.409
  113    H    GLY  10           H        GLY  10   8.022   5.399  -4.954
  114   1HA   GLY  10          2HA       GLY  10   9.056   7.635  -6.570
  115   2HA   GLY  10          1HA       GLY  10   8.097   7.778  -5.095
  116    QA   GLY  10           QA       GLY  10   8.577   7.706  -5.833
  117    H    LYS  11           H        LYS  11  10.411   9.320  -5.453
  118    HA   LYS  11           HA       LYS  11  12.791   8.166  -4.328
  119   1HB   LYS  11          2HB       LYS  11  13.431  10.550  -4.061
  120   2HB   LYS  11          1HB       LYS  11  12.711  10.247  -5.641
  121   1HG   LYS  11          2HG       LYS  11  10.483  10.864  -4.206
  122   2HG   LYS  11          1HG       LYS  11  11.679  11.851  -3.369
  123   1HD   LYS  11          2HD       LYS  11  11.310  11.842  -6.376
  124   2HD   LYS  11          1HD       LYS  11  10.573  13.027  -5.298
  125   1HE   LYS  11          2HE       LYS  11  13.188  13.121  -4.468
  126   2HE   LYS  11          1HE       LYS  11  13.376  12.817  -6.207
  127   1HZ   LYS  11          2HZ       LYS  11  11.666  14.574  -6.569
  128   2HZ   LYS  11          1HZ       LYS  11  11.778  14.962  -4.918
  129   3HZ   LYS  11          3HZ       LYS  11  13.128  15.154  -5.926
  130    QB   LYS  11           QB       LYS  11  13.071  10.399  -4.851
  131    QG   LYS  11           QG       LYS  11  11.081  11.357  -3.788
  132    QD   LYS  11           QD       LYS  11  10.942  12.435  -5.837
  133    QE   LYS  11           QE       LYS  11  13.282  12.969  -5.337
  134    QZ   LYS  11           QZ       LYS  11  12.191  14.897  -5.804
  135    H    THR  12           H        THR  12   9.878   9.488  -2.869
  136    HA   THR  12           HA       THR  12  11.009   9.784  -0.188
  137    HB   THR  12           HB       THR  12   8.113   9.571  -1.056
  138    HG1  THR  12          1HG       THR  12   8.366  11.403  -2.018
  139   1HG2  THR  12          3HG2      THR  12   9.587  10.559   1.346
  140   2HG2  THR  12          2HG2      THR  12   8.132  11.428   0.856
  141   3HG2  THR  12          1HG2      THR  12   8.045   9.709   1.246
  142    QG2  THR  12           QG2      THR  12   8.588  10.565   1.149
  143    H    LEU  13           H        LEU  13  10.408   8.452   1.640
  144    HA   LEU  13           HA       LEU  13  10.099   6.418   2.767
  145   1HB   LEU  13          2HB       LEU  13   8.093   6.494   0.570
  146   2HB   LEU  13          1HB       LEU  13   8.366   4.920   1.314
  147    HG   LEU  13           HG       LEU  13   7.749   7.463   2.844
  148   1HD1  LEU  13          1HD1      LEU  13   6.037   5.231   1.780
  149   2HD1  LEU  13          3HD1      LEU  13   5.595   6.018   3.296
  150   3HD1  LEU  13          2HD1      LEU  13   5.713   6.965   1.817
  151   1HD2  LEU  13          2HD2      LEU  13   8.288   4.599   3.598
  152   2HD2  LEU  13          1HD2      LEU  13   8.889   6.077   4.349
  153   3HD2  LEU  13          3HD2      LEU  13   7.217   5.578   4.601
  154    QB   LEU  13           QB       LEU  13   8.230   5.707   0.942
  155    QD1  LEU  13           QD1      LEU  13   5.782   6.072   2.298
  156    QD2  LEU  13           QD2      LEU  13   8.131   5.418   4.182
  157    QQD  LEU  13           QQD      LEU  13   6.957   5.745   3.240
  158    H    LYS  14           H        LYS  14   9.745   5.103  -0.533
  159    HA   LYS  14           HA       LYS  14  10.991   3.446  -1.661
  160   1HB   LYS  14          2HB       LYS  14  12.951   5.197  -0.236
  161   2HB   LYS  14          1HB       LYS  14  13.565   3.703  -0.941
  162   1HG   LYS  14          2HG       LYS  14  11.749   5.176  -2.727
  163   2HG   LYS  14          1HG       LYS  14  13.206   6.077  -2.311
  164   1HD   LYS  14          2HD       LYS  14  14.312   3.668  -2.810
  165   2HD   LYS  14          1HD       LYS  14  12.914   3.567  -3.879
  166   1HE   LYS  14          2HE       LYS  14  13.794   5.083  -5.332
  167   2HE   LYS  14          1HE       LYS  14  14.288   6.171  -4.020
  168   1HZ   LYS  14          1HZ       LYS  14  15.653   3.613  -4.674
  169   2HZ   LYS  14          3HZ       LYS  14  16.190   5.134  -5.201
  170   3HZ   LYS  14          2HZ       LYS  14  16.153   4.776  -3.540
  171    QB   LYS  14           QB       LYS  14  13.258   4.450  -0.588
  172    QG   LYS  14           QG       LYS  14  12.477   5.627  -2.519
  173    QD   LYS  14           QD       LYS  14  13.613   3.617  -3.344
  174    QE   LYS  14           QE       LYS  14  14.041   5.627  -4.676
  175    QZ   LYS  14           QZ       LYS  14  15.999   4.508  -4.472
  176    H    GLY  15           H        GLY  15  10.233   1.509  -0.799
  177   1HA   GLY  15          2HA       GLY  15  11.844  -0.290   0.511
  178   2HA   GLY  15          1HA       GLY  15  11.065   0.569   1.841
  179    QA   GLY  15           QA       GLY  15  11.455   0.139   1.176
  180    H    GLU  16           H        GLU  16  10.357  -1.908   1.970
  181    HA   GLU  16           HA       GLU  16   7.694  -2.117   0.599
  182   1HB   GLU  16          2HB       GLU  16   9.954  -4.063   0.986
  183   2HB   GLU  16          1HB       GLU  16   8.304  -4.671   0.849
  184   1HG   GLU  16          2HG       GLU  16   8.107  -4.044  -1.353
  185   2HG   GLU  16          1HG       GLU  16   9.160  -2.643  -1.158
  186    QB   GLU  16           QB       GLU  16   9.129  -4.367   0.917
  187    QG   GLU  16           QG       GLU  16   8.634  -3.343  -1.255
  188    H    ILE  17           H        ILE  17   7.285  -0.948   2.840
  189    HA   ILE  17           HA       ILE  17   7.463  -2.398   5.302
  190    HB   ILE  17           HB       ILE  17   7.083   0.031   5.087
  191   1HG1  ILE  17          2HG1      ILE  17   5.125   0.197   6.696
  192   2HG1  ILE  17          1HG1      ILE  17   4.899  -1.539   6.482
  193   1HG2  ILE  17          1HG2      ILE  17   5.217  -0.689   3.163
  194   2HG2  ILE  17          3HG2      ILE  17   4.212  -0.152   4.510
  195   3HG2  ILE  17          2HG2      ILE  17   5.428   0.928   3.832
  196   1HD1  ILE  17          3HD1      ILE  17   7.652  -0.598   7.129
  197   2HD1  ILE  17          2HD1      ILE  17   6.457  -0.542   8.425
  198   3HD1  ILE  17          1HD1      ILE  17   6.822  -2.072   7.628
  199    QG1  ILE  17           QG1      ILE  17   5.012  -0.671   6.589
  200    QG2  ILE  17           QG2      ILE  17   4.952   0.029   3.835
  201    QD1  ILE  17           QD1      ILE  17   6.977  -1.071   7.727
  202    H    THR  18           H        THR  18   6.322  -4.165   5.961
  203    HA   THR  18           HA       THR  18   4.002  -5.080   4.343
  204    HB   THR  18           HB       THR  18   4.416  -7.188   5.591
  205    HG1  THR  18          1HG       THR  18   5.370  -7.003   7.429
  206   1HG2  THR  18          3HG2      THR  18   6.024  -6.054   3.655
  207   2HG2  THR  18          2HG2      THR  18   7.187  -6.500   4.902
  208   3HG2  THR  18          1HG2      THR  18   6.127  -7.725   4.207
  209    QG2  THR  18           QG2      THR  18   6.446  -6.760   4.255
  210    H    ILE  19           H        ILE  19   1.926  -5.139   5.169
  211    HA   ILE  19           HA       ILE  19   1.517  -4.678   8.091
  212    HB   ILE  19           HB       ILE  19  -0.124  -2.897   7.552
  213   1HG1  ILE  19          2HG1      ILE  19   0.372  -2.041   5.024
  214   2HG1  ILE  19          1HG1      ILE  19   0.528  -3.782   4.789
  215   1HG2  ILE  19          3HG2      ILE  19   2.365  -2.462   7.934
  216   2HG2  ILE  19          2HG2      ILE  19   2.503  -2.293   6.185
  217   3HG2  ILE  19          1HG2      ILE  19   1.477  -1.188   7.098
  218   1HD1  ILE  19          1HD1      ILE  19  -1.709  -3.841   6.212
  219   2HD1  ILE  19          3HD1      ILE  19  -1.869  -2.186   5.621
  220   3HD1  ILE  19          2HD1      ILE  19  -1.758  -3.524   4.477
  221    QG1  ILE  19           QG1      ILE  19   0.450  -2.912   4.906
  222    QG2  ILE  19           QG2      ILE  19   2.115  -1.981   7.072
  223    QD1  ILE  19           QD1      ILE  19  -1.779  -3.184   5.437
  224    H    GLU  20           H        GLU  20  -0.123  -5.942   8.874
  225    HA   GLU  20           HA       GLU  20  -1.510  -7.794   7.086
  226   1HB   GLU  20          2HB       GLU  20  -1.601  -7.200  10.060
  227   2HB   GLU  20          1HB       GLU  20  -2.493  -8.524   9.306
  228   1HG   GLU  20          2HG       GLU  20  -0.475  -9.595   8.586
  229   2HG   GLU  20          1HG       GLU  20   0.497  -8.180   8.991
  230    QB   GLU  20           QB       GLU  20  -2.047  -7.862   9.683
  231    QG   GLU  20           QG       GLU  20   0.011  -8.887   8.789
  232    H    ALA  21           H        ALA  21  -3.777  -7.844   6.695
  233    HA   ALA  21           HA       ALA  21  -5.541  -5.756   7.790
  234   1HB   ALA  21          1HB       ALA  21  -4.150  -4.703   5.954
  235   2HB   ALA  21          3HB       ALA  21  -4.894  -5.837   4.827
  236   3HB   ALA  21          2HB       ALA  21  -5.889  -4.646   5.664
  237    QB   ALA  21           QB       ALA  21  -4.978  -5.062   5.482
  238    H    VAL  22           H        VAL  22  -7.793  -6.054   6.945
  239    HA   VAL  22           HA       VAL  22  -8.692  -8.715   6.966
  240    HB   VAL  22           HB       VAL  22 -10.068  -6.724   7.414
  241   1HG1  VAL  22          2HG1      VAL  22  -8.948  -5.444   5.444
  242   2HG1  VAL  22          1HG1      VAL  22 -10.184  -6.209   4.444
  243   3HG1  VAL  22          3HG1      VAL  22 -10.657  -5.143   5.767
  244   1HG2  VAL  22          2HG2      VAL  22 -10.967  -8.984   6.355
  245   2HG2  VAL  22          1HG2      VAL  22 -12.047  -7.609   6.582
  246   3HG2  VAL  22          3HG2      VAL  22 -11.356  -7.933   4.992
  247    QG1  VAL  22           QG1      VAL  22  -9.930  -5.599   5.218
  248    QG2  VAL  22           QG2      VAL  22 -11.457  -8.175   5.976
  249    QQG  VAL  22           QQG      VAL  22 -10.693  -6.887   5.597
  250    H    ASP  23           H        ASP  23  -7.953  -6.625   4.182
  251    HA   ASP  23           HA       ASP  23  -7.490  -8.976   2.470
  252   1HB   ASP  23          2HB       ASP  23  -9.854  -7.118   2.264
  253   2HB   ASP  23          1HB       ASP  23  -9.196  -7.858   0.805
  254    QB   ASP  23           QB       ASP  23  -9.525  -7.488   1.534
  255    H    ALA  24           H        ALA  24  -6.840  -8.094   0.181
  256    HA   ALA  24           HA       ALA  24  -4.742  -6.177   0.470
  257   1HB   ALA  24          1HB       ALA  24  -5.372  -8.022  -1.349
  258   2HB   ALA  24          3HB       ALA  24  -6.087  -6.633  -2.169
  259   3HB   ALA  24          2HB       ALA  24  -4.367  -6.635  -1.774
  260    QB   ALA  24           QB       ALA  24  -5.275  -7.097  -1.764
  261    H    ALA  25           H        ALA  25  -8.125  -5.849  -0.522
  262    HA   ALA  25           HA       ALA  25  -8.147  -3.242  -1.579
  263   1HB   ALA  25          1HB       ALA  25 -10.156  -4.666   0.195
  264   2HB   ALA  25          3HB       ALA  25 -10.519  -3.260  -0.806
  265   3HB   ALA  25          2HB       ALA  25 -10.059  -4.786  -1.561
  266    QB   ALA  25           QB       ALA  25 -10.245  -4.238  -0.724
  267    H    GLU  26           H        GLU  26  -8.554  -4.257   1.827
  268    HA   GLU  26           HA       GLU  26  -8.680  -1.603   2.935
  269   1HB   GLU  26          2HB       GLU  26  -8.898  -4.266   3.789
  270   2HB   GLU  26          1HB       GLU  26  -7.479  -3.667   4.645
  271   1HG   GLU  26          2HG       GLU  26  -9.693  -1.736   4.640
  272   2HG   GLU  26          1HG       GLU  26 -10.120  -3.261   5.412
  273    QB   GLU  26           QB       GLU  26  -8.189  -3.967   4.217
  274    QG   GLU  26           QG       GLU  26  -9.906  -2.499   5.026
  275    H    ALA  27           H        ALA  27  -5.999  -3.885   2.367
  276    HA   ALA  27           HA       ALA  27  -3.874  -2.458   3.594
  277   1HB   ALA  27          1HB       ALA  27  -4.253  -4.501   1.491
  278   2HB   ALA  27          3HB       ALA  27  -2.742  -3.596   1.364
  279   3HB   ALA  27          2HB       ALA  27  -3.121  -4.482   2.844
  280    QB   ALA  27           QB       ALA  27  -3.372  -4.193   1.899
  281    H    GLU  28           H        GLU  28  -5.215  -2.176   0.291
  282    HA   GLU  28           HA       GLU  28  -3.410  -0.200  -0.706
  283   1HB   GLU  28          2HB       GLU  28  -5.278  -1.639  -1.838
  284   2HB   GLU  28          1HB       GLU  28  -6.348  -0.311  -1.386
  285   1HG   GLU  28          2HG       GLU  28  -4.540   1.211  -2.492
  286   2HG   GLU  28          1HG       GLU  28  -3.998  -0.274  -3.278
  287    QB   GLU  28           QB       GLU  28  -5.813  -0.975  -1.612
  288    QG   GLU  28           QG       GLU  28  -4.269   0.469  -2.885
  289    H    LYS  29           H        LYS  29  -6.361   0.046   1.251
  290    HA   LYS  29           HA       LYS  29  -6.574   2.937   1.186
  291   1HB   LYS  29          2HB       LYS  29  -7.480   0.895   3.252
  292   2HB   LYS  29          1HB       LYS  29  -8.093   2.539   3.101
  293   1HG   LYS  29          2HG       LYS  29  -8.253   0.491   0.876
  294   2HG   LYS  29          1HG       LYS  29  -9.555   0.779   2.029
  295   1HD   LYS  29          2HD       LYS  29  -8.337   2.895   0.232
  296   2HD   LYS  29          1HD       LYS  29  -9.856   2.058  -0.083
  297   1HE   LYS  29          2HE       LYS  29 -10.597   2.886   2.253
  298   2HE   LYS  29          1HE       LYS  29  -9.225   4.007   2.140
  299   1HZ   LYS  29          2HZ       LYS  29 -10.042   4.735  -0.017
  300   2HZ   LYS  29          1HZ       LYS  29 -11.371   3.685   0.108
  301   3HZ   LYS  29          3HZ       LYS  29 -11.221   4.990   1.181
  302    QB   LYS  29           QB       LYS  29  -7.786   1.717   3.176
  303    QG   LYS  29           QG       LYS  29  -8.904   0.635   1.453
  304    QD   LYS  29           QD       LYS  29  -9.096   2.476   0.075
  305    QE   LYS  29           QE       LYS  29  -9.911   3.446   2.197
  306    QZ   LYS  29           QZ       LYS  29 -10.878   4.470   0.424
  307    H    ILE  30           H        ILE  30  -5.273   0.629   3.587
  308    HA   ILE  30           HA       ILE  30  -4.188   2.512   5.435
  309    HB   ILE  30           HB       ILE  30  -3.272  -0.272   4.609
  310   1HG1  ILE  30          2HG1      ILE  30  -4.902   0.407   7.044
  311   2HG1  ILE  30          1HG1      ILE  30  -5.699   0.216   5.483
  312   1HG2  ILE  30          3HG2      ILE  30  -2.668   1.410   7.061
  313   2HG2  ILE  30          2HG2      ILE  30  -2.358  -0.324   6.967
  314   3HG2  ILE  30          1HG2      ILE  30  -1.509   0.783   5.888
  315   1HD1  ILE  30          3HD1      ILE  30  -3.736  -1.892   6.219
  316   2HD1  ILE  30          2HD1      ILE  30  -5.236  -1.861   7.148
  317   3HD1  ILE  30          1HD1      ILE  30  -5.289  -2.037   5.395
  318    QG1  ILE  30           QG1      ILE  30  -5.301   0.311   6.263
  319    QG2  ILE  30           QG2      ILE  30  -2.179   0.623   6.639
  320    QD1  ILE  30           QD1      ILE  30  -4.753  -1.930   6.254
  321    H    PHE  31           H        PHE  31  -2.820   1.010   2.522
  322    HA   PHE  31           HA       PHE  31  -0.212   2.266   2.742
  323   1HB   PHE  31          2HB       PHE  31  -1.808   0.801   0.642
  324   2HB   PHE  31          1HB       PHE  31  -0.269   1.552   0.216
  325    HD1  PHE  31          1HD       PHE  31   1.474   1.158   2.433
  326    HD2  PHE  31          2HD       PHE  31  -1.551  -1.493   0.923
  327    HE1  PHE  31          1HE       PHE  31   2.688  -0.777   3.399
  328    HE2  PHE  31          2HE       PHE  31  -0.334  -3.428   1.888
  329   1HZ   PHE  31           HZ       PHE  31   1.784  -3.068   3.127
  330    QB   PHE  31           QB       PHE  31  -1.038   1.177   0.429
  331    QG   PHE  31           QD       PHE  31  -0.038  -0.168   1.678
  332    QZ   PHE  31           QE       PHE  31   1.177  -2.103   2.644
  333    QZ   PHE  31           QR       PHE  31   0.812  -1.522   2.354
  334    H    LYS  32           H        LYS  32  -3.260   3.047   1.103
  335    HA   LYS  32           HA       LYS  32  -2.230   5.336  -0.317
  336   1HB   LYS  32          2HB       LYS  32  -4.932   4.180   0.295
  337   2HB   LYS  32          1HB       LYS  32  -4.783   5.733  -0.528
  338   1HG   LYS  32          2HG       LYS  32  -3.100   3.492  -1.551
  339   2HG   LYS  32          1HG       LYS  32  -4.833   3.419  -1.884
  340   1HD   LYS  32          2HD       LYS  32  -3.166   5.884  -2.436
  341   2HD   LYS  32          1HD       LYS  32  -3.434   4.623  -3.640
  342   1HE   LYS  32          2HE       LYS  32  -5.991   5.010  -2.895
  343   2HE   LYS  32          1HE       LYS  32  -5.352   6.631  -2.550
  344   1HZ   LYS  32          3HZ       LYS  32  -4.300   6.599  -4.761
  345   2HZ   LYS  32          2HZ       LYS  32  -5.065   5.118  -5.092
  346   3HZ   LYS  32          1HZ       LYS  32  -5.992   6.521  -4.853
  347    QB   LYS  32           QB       LYS  32  -4.857   4.956  -0.116
  348    QG   LYS  32           QG       LYS  32  -3.966   3.455  -1.717
  349    QD   LYS  32           QD       LYS  32  -3.300   5.253  -3.038
  350    QE   LYS  32           QE       LYS  32  -5.672   5.821  -2.722
  351    QZ   LYS  32           QZ       LYS  32  -5.119   6.079  -4.902
  352    H    GLN  33           H        GLN  33  -2.749   4.896   2.967
  353    HA   GLN  33           HA       GLN  33  -3.495   7.779   3.433
  354   1HB   GLN  33          2HB       GLN  33  -3.573   5.228   5.078
  355   2HB   GLN  33          1HB       GLN  33  -3.740   6.818   5.825
  356   1HG   GLN  33          2HG       GLN  33  -5.634   7.280   4.220
  357   2HG   GLN  33          1HG       GLN  33  -5.541   5.592   3.721
  358   1HE2  GLN  33          2HE2      GLN  33  -7.820   4.858   6.319
  359   2HE2  GLN  33          1HE2      GLN  33  -7.508   4.827   4.650
  360    QB   GLN  33           QB       GLN  33  -3.656   6.023   5.451
  361    QG   GLN  33           QG       GLN  33  -5.587   6.436   3.971
  362    QE2  GLN  33           QE2      GLN  33  -7.664   4.843   5.485
  363    H    TYR  34           H        TYR  34  -1.363   5.135   4.180
  364    HA   TYR  34           HA       TYR  34   0.706   6.305   5.698
  365   1HB   TYR  34          2HB       TYR  34   0.510   3.968   5.435
  366   2HB   TYR  34          1HB       TYR  34   0.261   4.097   3.693
  367    HD1  TYR  34          1HD       TYR  34   2.880   4.833   6.309
  368    HD2  TYR  34          2HD       TYR  34   2.057   3.520   2.303
  369    HE1  TYR  34          1HE       TYR  34   5.291   4.369   5.967
  370    HE2  TYR  34          2HE       TYR  34   4.469   3.059   1.960
  371    HH   TYR  34           HH       TYR  34   6.609   2.658   4.283
  372    QB   TYR  34           QB       TYR  34   0.385   4.033   4.564
  373    QG   TYR  34           QD       TYR  34   2.468   4.177   4.306
  374    QZ   TYR  34           QE       TYR  34   4.880   3.714   3.963
  375    QR   TYR  34           QR       TYR  34   3.674   3.945   4.135
  376    H    ALA  35           H        ALA  35  -0.170   6.750   2.334
  377    HA   ALA  35           HA       ALA  35   2.457   7.789   1.457
  378   1HB   ALA  35          2HB       ALA  35  -0.152   6.943   0.341
  379   2HB   ALA  35          1HB       ALA  35   0.583   8.322  -0.489
  380   3HB   ALA  35          3HB       ALA  35   1.466   6.796  -0.349
  381    QB   ALA  35           QB       ALA  35   0.632   7.354  -0.166
  382    H    ASN  36           H        ASN  36  -0.882   9.055   1.255
  383    HA   ASN  36           HA       ASN  36  -0.331  11.774   0.845
  384   1HB   ASN  36          2HB       ASN  36  -2.582  10.339   2.266
  385   2HB   ASN  36          1HB       ASN  36  -2.647  12.053   1.852
  386   1HD2  ASN  36          2HD2      ASN  36  -3.117   9.254  -1.074
  387   2HD2  ASN  36          1HD2      ASN  36  -2.718   8.790   0.509
  388    QB   ASN  36           QB       ASN  36  -2.614  11.196   2.059
  389    QD2  ASN  36           QD2      ASN  36  -2.917   9.022  -0.282
  390    H    ASP  37           H        ASP  37  -0.751  10.102   3.977
  391    HA   ASP  37           HA       ASP  37  -0.757  12.212   5.783
  392   1HB   ASP  37          2HB       ASP  37   0.387  10.608   7.318
  393   2HB   ASP  37          1HB       ASP  37  -0.936   9.870   6.423
  394    QB   ASP  37           QB       ASP  37  -0.275  10.239   6.871
  395    H    ASN  38           H        ASN  38   1.932  11.123   3.882
  396    HA   ASN  38           HA       ASN  38   3.737  13.017   5.258
  397   1HB   ASN  38          2HB       ASN  38   4.066  10.432   4.893
  398   2HB   ASN  38          1HB       ASN  38   4.587  10.935   3.282
  399   1HD2  ASN  38          2HD2      ASN  38   7.672  12.260   4.405
  400   2HD2  ASN  38          1HD2      ASN  38   6.625  12.028   3.088
  401    QB   ASN  38           QB       ASN  38   4.327  10.683   4.087
  402    QD2  ASN  38           QD2      ASN  38   7.149  12.144   3.746
  403    H    GLY  39           H        GLY  39   3.214  11.772   1.934
  404   1HA   GLY  39          2HA       GLY  39   2.516  13.987   0.534
  405   2HA   GLY  39          1HA       GLY  39   4.240  14.268   0.783
  406    QA   GLY  39           QA       GLY  39   3.378  14.127   0.658
  407    H    ILE  40           H        ILE  40   2.163  11.478  -0.098
  408    HA   ILE  40           HA       ILE  40   4.192  10.738  -2.183
  409    HB   ILE  40           HB       ILE  40   2.226   9.286  -0.447
  410   1HG1  ILE  40          2HG1      ILE  40   4.764  10.249   0.125
  411   2HG1  ILE  40          1HG1      ILE  40   3.903   9.027   1.041
  412   1HG2  ILE  40          1HG2      ILE  40   4.089   8.103  -2.509
  413   2HG2  ILE  40          3HG2      ILE  40   3.139   7.176  -1.345
  414   3HG2  ILE  40          2HG2      ILE  40   2.326   8.129  -2.589
  415   1HD1  ILE  40          3HD1      ILE  40   5.608   8.314  -1.336
  416   2HD1  ILE  40          2HD1      ILE  40   6.286   8.464   0.289
  417   3HD1  ILE  40          1HD1      ILE  40   5.032   7.263  -0.037
  418    QG1  ILE  40           QG1      ILE  40   4.334   9.638   0.583
  419    QG2  ILE  40           QG2      ILE  40   3.184   7.803  -2.148
  420    QD1  ILE  40           QD1      ILE  40   5.642   8.014  -0.361
  421    H    ASP  41           H        ASP  41   3.412  10.795  -4.298
  422    HA   ASP  41           HA       ASP  41   0.655  10.144  -4.977
  423   1HB   ASP  41          2HB       ASP  41   0.063  12.449  -5.737
  424   2HB   ASP  41          1HB       ASP  41   0.328  12.362  -3.996
  425    QB   ASP  41           QB       ASP  41   0.195  12.405  -4.867
  426    H    GLY  42           H        GLY  42   1.340   8.890  -6.693
  427   1HA   GLY  42          2HA       GLY  42   2.346  10.275  -9.075
  428   2HA   GLY  42          1HA       GLY  42   3.448   9.067  -8.415
  429    QA   GLY  42           QA       GLY  42   2.897   9.671  -8.745
  430    H    GLU  43           H        GLU  43   2.172   6.911  -7.833
  431    HA   GLU  43           HA       GLU  43   0.023   6.285  -9.785
  432   1HB   GLU  43          2HB       GLU  43   2.818   5.100  -9.788
  433   2HB   GLU  43          1HB       GLU  43   1.463   4.396 -10.673
  434   1HG   GLU  43          2HG       GLU  43   1.169   6.740 -11.718
  435   2HG   GLU  43          1HG       GLU  43   2.790   7.072 -11.105
  436    QB   GLU  43           QB       GLU  43   2.140   4.748 -10.230
  437    QG   GLU  43           QG       GLU  43   1.980   6.906 -11.412
  438    H    TRP  44           H        TRP  44  -0.629   3.878  -9.473
  439    HA   TRP  44           HA       TRP  44   0.093   2.668  -6.854
  440   1HB   TRP  44          2HB       TRP  44  -2.508   4.043  -7.512
  441   2HB   TRP  44          1HB       TRP  44  -2.524   2.629  -6.451
  442    HD1  TRP  44           HD       TRP  44  -1.420   6.261  -6.573
  443    HE1  TRP  44          1HE       TRP  44  -0.607   6.952  -4.224
  444    HE3  TRP  44          3HE       TRP  44  -1.488   1.714  -4.289
  445    HZ2  TRP  44          2HZ       TRP  44  -0.058   5.719  -1.697
  446    HZ3  TRP  44          3HZ       TRP  44  -0.820   1.497  -1.903
  447    HH2  TRP  44           HH       TRP  44  -0.099   3.491  -0.618
  448    QB   TRP  44           QB       TRP  44  -2.516   3.336  -6.981
  449    H    THR  45           H        THR  45   0.205   0.512  -7.238
  450    HA   THR  45           HA       THR  45  -1.805  -0.761  -9.037
  451    HB   THR  45           HB       THR  45  -0.134  -1.776 -10.402
  452    HG1  THR  45          1HG       THR  45   1.396  -2.396  -9.002
  453   1HG2  THR  45          2HG2      THR  45  -0.487   0.630 -10.888
  454   2HG2  THR  45          1HG2      THR  45   0.865   1.020  -9.822
  455   3HG2  THR  45          3HG2      THR  45   1.144   0.101 -11.304
  456    QG2  THR  45           QG2      THR  45   0.507   0.584 -10.672
  457    H    TYR  46           H        TYR  46  -2.471  -2.677  -8.179
  458    HA   TYR  46           HA       TYR  46  -1.113  -3.667  -5.735
  459   1HB   TYR  46          2HB       TYR  46  -3.483  -3.336  -5.586
  460   2HB   TYR  46          1HB       TYR  46  -3.767  -4.222  -7.089
  461    HD1  TYR  46          1HD       TYR  46  -1.879  -4.830  -3.899
  462    HD2  TYR  46          2HD       TYR  46  -4.673  -6.357  -6.779
  463    HE1  TYR  46          1HE       TYR  46  -2.026  -6.950  -2.629
  464    HE2  TYR  46          2HE       TYR  46  -4.820  -8.482  -5.505
  465    HH   TYR  46           HH       TYR  46  -2.865  -9.641  -3.630
  466    QB   TYR  46           QB       TYR  46  -3.625  -3.779  -6.337
  467    QG   TYR  46           QD       TYR  46  -3.276  -5.594  -5.339
  468    QZ   TYR  46           QE       TYR  46  -3.423  -7.716  -4.067
  469    QR   TYR  46           QR       TYR  46  -3.349  -6.655  -4.703
  470    H    ASP  47           H        ASP  47  -0.326  -5.812  -5.570
  471    HA   ASP  47           HA       ASP  47   0.028  -7.264  -8.174
  472   1HB   ASP  47          2HB       ASP  47   1.982  -6.050  -6.873
  473   2HB   ASP  47          1HB       ASP  47   1.914  -7.482  -5.844
  474    QB   ASP  47           QB       ASP  47   1.948  -6.766  -6.358
  475    H    ASP  48           H        ASP  48  -1.616  -8.796  -7.938
  476    HA   ASP  48           HA       ASP  48  -2.261 -10.137  -5.462
  477   1HB   ASP  48          2HB       ASP  48  -3.736  -9.763  -7.469
  478   2HB   ASP  48          1HB       ASP  48  -2.796 -10.989  -8.319
  479    QB   ASP  48           QB       ASP  48  -3.266 -10.376  -7.894
  480    H    ALA  49           H        ALA  49   0.449 -10.509  -7.443
  481    HA   ALA  49           HA       ALA  49   0.717 -13.428  -7.110
  482   1HB   ALA  49          2HB       ALA  49   1.441 -11.700  -9.052
  483   2HB   ALA  49          1HB       ALA  49   2.921 -11.673  -8.093
  484   3HB   ALA  49          3HB       ALA  49   2.325 -13.197  -8.752
  485    QB   ALA  49           QB       ALA  49   2.229 -12.190  -8.633
  486    H    THR  50           H        THR  50   1.871 -10.419  -5.693
  487    HA   THR  50           HA       THR  50   3.432 -12.021  -3.695
  488    HB   THR  50           HB       THR  50   5.035 -10.112  -3.710
  489    HG1  THR  50          1HG       THR  50   4.767  -8.508  -5.227
  490   1HG2  THR  50          1HG2      THR  50   5.084 -12.161  -5.326
  491   2HG2  THR  50          3HG2      THR  50   4.653 -10.979  -6.561
  492   3HG2  THR  50          2HG2      THR  50   6.151 -10.795  -5.651
  493    QG2  THR  50           QG2      THR  50   5.296 -11.312  -5.846
  494    H    LYS  51           H        LYS  51   0.680 -10.294  -4.052
  495    HA   LYS  51           HA       LYS  51  -0.679  -9.025  -2.600
  496   1HB   LYS  51          2HB       LYS  51   1.244 -10.267  -0.601
  497   2HB   LYS  51          1HB       LYS  51  -0.331  -9.579  -0.208
  498   1HG   LYS  51          2HG       LYS  51  -0.215 -11.680  -2.334
  499   2HG   LYS  51          1HG       LYS  51  -0.041 -12.189  -0.655
  500   1HD   LYS  51          2HD       LYS  51  -2.139 -10.828  -0.158
  501   2HD   LYS  51          1HD       LYS  51  -2.358 -10.700  -1.904
  502   1HE   LYS  51          2HE       LYS  51  -1.900 -13.400  -1.607
  503   2HE   LYS  51          1HE       LYS  51  -2.815 -13.014  -0.136
  504   1HZ   LYS  51          1HZ       LYS  51  -3.585 -12.085  -2.849
  505   2HZ   LYS  51          3HZ       LYS  51  -4.231 -13.474  -2.119
  506   3HZ   LYS  51          2HZ       LYS  51  -4.492 -11.948  -1.420
  507    QB   LYS  51           QB       LYS  51   0.457  -9.923  -0.405
  508    QG   LYS  51           QG       LYS  51  -0.128 -11.934  -1.495
  509    QD   LYS  51           QD       LYS  51  -2.249 -10.764  -1.031
  510    QE   LYS  51           QE       LYS  51  -2.358 -13.207  -0.872
  511    QZ   LYS  51           QZ       LYS  51  -4.103 -12.502  -2.129
  512    H    THR  52           H        THR  52   1.510  -7.626  -3.822
  513    HA   THR  52           HA       THR  52   2.109  -5.606  -1.677
  514    HB   THR  52           HB       THR  52   3.896  -6.529  -3.951
  515    HG1  THR  52          1HG       THR  52   4.882  -7.770  -2.487
  516   1HG2  THR  52          1HG2      THR  52   4.351  -4.677  -1.597
  517   2HG2  THR  52          3HG2      THR  52   5.631  -5.269  -2.657
  518   3HG2  THR  52          2HG2      THR  52   4.357  -4.235  -3.304
  519    QG2  THR  52           QG2      THR  52   4.779  -4.727  -2.519
  520    H    PHE  53           H        PHE  53   1.734  -3.476  -2.286
  521    HA   PHE  53           HA       PHE  53   0.505  -3.028  -4.936
  522   1HB   PHE  53          2HB       PHE  53   0.794  -1.422  -2.389
  523   2HB   PHE  53          1HB       PHE  53   0.022  -0.773  -3.835
  524    HD1  PHE  53          2HD       PHE  53  -0.111  -3.648  -1.438
  525    HD2  PHE  53          1HD       PHE  53  -2.258  -1.245  -4.294
  526    HE1  PHE  53          2HE       PHE  53  -2.227  -4.786  -0.813
  527    HE2  PHE  53          1HE       PHE  53  -4.360  -2.388  -3.662
  528   1HZ   PHE  53           HZ       PHE  53  -4.347  -4.156  -1.928
  529    QB   PHE  53           QB       PHE  53   0.408  -1.097  -3.112
  530    QG   PHE  53           QD       PHE  53  -1.184  -2.446  -2.866
  531    QZ   PHE  53           QE       PHE  53  -3.294  -3.587  -2.238
  532    QZ   PHE  53           QR       PHE  53  -2.661  -3.245  -2.427
  533    H    THR  54           H        THR  54   1.212  -0.352  -5.480
  534    HA   THR  54           HA       THR  54   4.160  -0.141  -5.371
  535    HB   THR  54           HB       THR  54   2.840  -0.086  -8.073
  536    HG1  THR  54          1HG       THR  54   3.785  -2.415  -6.756
  537   1HG2  THR  54          1HG2      THR  54   5.590  -0.627  -6.965
  538   2HG2  THR  54          3HG2      THR  54   5.164  -1.058  -8.621
  539   3HG2  THR  54          2HG2      THR  54   5.092   0.626  -8.101
  540    QG2  THR  54           QG2      THR  54   5.282  -0.353  -7.896
  541    H    VAL  55           H        VAL  55   4.006   1.900  -4.462
  542    HA   VAL  55           HA       VAL  55   2.333   3.894  -5.912
  543    HB   VAL  55           HB       VAL  55   1.591   3.501  -3.652
  544   1HG1  VAL  55          2HG1      VAL  55   4.488   3.983  -2.890
  545   2HG1  VAL  55          1HG1      VAL  55   3.156   3.941  -1.731
  546   3HG1  VAL  55          3HG1      VAL  55   3.541   2.501  -2.673
  547   1HG2  VAL  55          3HG2      VAL  55   3.177   6.078  -3.843
  548   2HG2  VAL  55          2HG2      VAL  55   1.505   5.836  -4.347
  549   3HG2  VAL  55          1HG2      VAL  55   1.930   5.756  -2.637
  550    QG1  VAL  55           QG1      VAL  55   3.728   3.475  -2.431
  551    QG2  VAL  55           QG2      VAL  55   2.204   5.890  -3.609
  552    QQG  VAL  55           QQG      VAL  55   2.966   4.683  -3.020
  553    H    THR  56           H        THR  56   3.345   5.504  -6.942
  554    HA   THR  56           HA       THR  56   6.182   6.108  -6.197
  555    HB   THR  56           HB       THR  56   5.466   4.771  -8.392
  556    HG1  THR  56          1HG       THR  56   7.317   6.895  -8.596
  557   1HG2  THR  56          2HG2      THR  56   3.931   6.628  -9.167
  558   2HG2  THR  56          1HG2      THR  56   5.371   7.613  -9.424
  559   3HG2  THR  56          3HG2      THR  56   5.149   6.123 -10.342
  560    QG2  THR  56           QG2      THR  56   4.817   6.788  -9.644
  561    H    GLU  57           H        GLU  57   6.715   8.365  -7.424
  562    HA   GLU  57           HA       GLU  57   4.434  10.233  -6.864
  563   1HB   GLU  57          2HB       GLU  57   6.375  10.010  -5.158
  564   2HB   GLU  57          1HB       GLU  57   7.352  10.843  -6.368
  565   1HG   GLU  57          2HG       GLU  57   5.208  12.472  -6.360
  566   2HG   GLU  57          1HG       GLU  57   5.115  11.877  -4.702
  567    QB   GLU  57           QB       GLU  57   6.864  10.426  -5.763
  568    QG   GLU  57           QG       GLU  57   5.161  12.174  -5.531
   
  No H/Q in entry =         568
  Start of MODEL   30
    1   1H    MET   1          2HT       MET   1  -3.807 -14.449   7.538
    2   2H    MET   1          1HT       MET   1  -3.106 -15.758   6.714
    3   3H    MET   1          3HT       MET   1  -2.860 -15.579   8.382
    4    HA   MET   1           HA       MET   1  -1.500 -13.665   8.084
    5   1HB   MET   1          2HB       MET   1  -0.849 -16.180   7.465
    6   2HB   MET   1          1HB       MET   1  -0.624 -15.472   5.864
    7   1HG   MET   1          2HG       MET   1   1.046 -13.987   6.625
    8   2HG   MET   1          1HG       MET   1   0.580 -14.190   8.313
    9   1HE   MET   1          2HE       MET   1   2.834 -14.169   8.718
   10   2HE   MET   1          1HE       MET   1   3.771 -15.638   8.979
   11   3HE   MET   1          3HE       MET   1   3.921 -14.747   7.456
   12    QB   MET   1           QB       MET   1  -0.737 -15.826   6.665
   13    QG   MET   1           QG       MET   1   0.813 -14.088   7.469
   14    QE   MET   1           QE       MET   1   3.509 -14.851   8.384
   15    H    THR   2           H        THR   2  -2.575 -11.834   7.162
   16    HA   THR   2           HA       THR   2  -2.552 -11.684   4.162
   17    HB   THR   2           HB       THR   2  -4.203 -10.169   6.213
   18    HG1  THR   2          1HG       THR   2  -5.131 -12.073   6.238
   19   1HG2  THR   2          2HG2      THR   2  -4.014 -10.142   3.221
   20   2HG2  THR   2          1HG2      THR   2  -5.578  -9.853   3.982
   21   3HG2  THR   2          3HG2      THR   2  -4.216  -8.792   4.338
   22    QG2  THR   2           QG2      THR   2  -4.603  -9.596   3.847
   23    H    THR   3           H        THR   3  -0.154 -11.173   5.582
   24    HA   THR   3           HA       THR   3   0.181  -8.365   6.222
   25    HB   THR   3           HB       THR   3   2.346 -10.274   5.335
   26    HG1  THR   3          1HG       THR   3   1.501 -11.568   6.769
   27   1HG2  THR   3          2HG2      THR   3   2.504  -7.729   6.206
   28   2HG2  THR   3          1HG2      THR   3   2.515  -8.564   7.761
   29   3HG2  THR   3          3HG2      THR   3   3.748  -8.931   6.552
   30    QG2  THR   3           QG2      THR   3   2.922  -8.408   6.840
   31    H    PHE   4           H        PHE   4  -0.590  -7.148   4.419
   32    HA   PHE   4           HA       PHE   4   0.437  -7.634   1.712
   33   1HB   PHE   4          2HB       PHE   4  -1.445  -5.787   3.121
   34   2HB   PHE   4          1HB       PHE   4  -0.810  -5.268   1.558
   35    HD1  PHE   4          1HD       PHE   4  -0.812  -7.163  -0.310
   36    HD2  PHE   4          2HD       PHE   4  -3.369  -7.107   3.140
   37    HE1  PHE   4          1HE       PHE   4  -2.397  -8.677  -1.463
   38    HE2  PHE   4          2HE       PHE   4  -4.957  -8.622   1.982
   39   1HZ   PHE   4           HZ       PHE   4  -4.470  -9.408  -0.318
   40    QB   PHE   4           QB       PHE   4  -1.127  -5.527   2.340
   41    QG   PHE   4           QD       PHE   4  -2.091  -7.135   1.415
   42    QZ   PHE   4           QE       PHE   4  -3.677  -8.649   0.259
   43    QZ   PHE   4           QR       PHE   4  -3.201  -8.195   0.606
   44    H    LYS   5           H        LYS   5   2.099  -6.502   0.714
   45    HA   LYS   5           HA       LYS   5   3.675  -4.636   2.439
   46   1HB   LYS   5          2HB       LYS   5   4.382  -6.186  -0.080
   47   2HB   LYS   5          1HB       LYS   5   5.511  -5.244   0.892
   48   1HG   LYS   5          2HG       LYS   5   5.898  -7.196   1.980
   49   2HG   LYS   5          1HG       LYS   5   4.371  -6.865   2.796
   50   1HD   LYS   5          2HD       LYS   5   3.335  -8.588   1.764
   51   2HD   LYS   5          1HD       LYS   5   3.951  -8.110   0.183
   52   1HE   LYS   5          2HE       LYS   5   6.228  -9.081   1.421
   53   2HE   LYS   5          1HE       LYS   5   4.962 -10.169   2.022
   54   1HZ   LYS   5          2HZ       LYS   5   5.297  -9.393  -0.826
   55   2HZ   LYS   5          1HZ       LYS   5   5.859 -10.853  -0.164
   56   3HZ   LYS   5          3HZ       LYS   5   4.194 -10.527  -0.206
   57    QB   LYS   5           QB       LYS   5   4.947  -5.715   0.406
   58    QG   LYS   5           QG       LYS   5   5.134  -7.031   2.388
   59    QD   LYS   5           QD       LYS   5   3.643  -8.349   0.973
   60    QE   LYS   5           QE       LYS   5   5.595  -9.625   1.721
   61    QZ   LYS   5           QZ       LYS   5   5.116 -10.258  -0.399
   62    H    LEU   6           H        LEU   6   5.074  -3.199   0.627
   63    HA   LEU   6           HA       LEU   6   3.415  -2.129  -1.534
   64   1HB   LEU   6          2HB       LEU   6   2.296  -1.195   0.435
   65   2HB   LEU   6          1HB       LEU   6   3.835  -0.617   1.069
   66    HG   LEU   6           HG       LEU   6   3.840   0.559  -1.399
   67   1HD1  LEU   6          2HD1      LEU   6   1.055  -0.147  -0.746
   68   2HD1  LEU   6          1HD1      LEU   6   1.301   1.554  -1.135
   69   3HD1  LEU   6          3HD1      LEU   6   1.773   0.312  -2.292
   70   1HD2  LEU   6          1HD2      LEU   6   4.069   1.477   1.038
   71   2HD2  LEU   6          3HD2      LEU   6   3.529   2.574  -0.232
   72   3HD2  LEU   6          2HD2      LEU   6   2.356   1.863   0.873
   73    QB   LEU   6           QB       LEU   6   3.065  -0.906   0.752
   74    QD1  LEU   6           QD1      LEU   6   1.376   0.573  -1.391
   75    QD2  LEU   6           QD2      LEU   6   3.318   1.971   0.560
   76    QQD  LEU   6           QQD      LEU   6   2.347   1.272  -0.416
   77    H    ILE   7           H        ILE   7   5.123  -2.001  -2.979
   78    HA   ILE   7           HA       ILE   7   7.788  -1.084  -2.114
   79    HB   ILE   7           HB       ILE   7   6.597  -1.828  -4.814
   80   1HG1  ILE   7          2HG1      ILE   7   8.526  -3.461  -3.165
   81   2HG1  ILE   7          1HG1      ILE   7   6.787  -3.574  -2.892
   82   1HG2  ILE   7          2HG2      ILE   7   9.328  -0.984  -3.917
   83   2HG2  ILE   7          1HG2      ILE   7   9.206  -2.222  -5.169
   84   3HG2  ILE   7          3HG2      ILE   7   8.488  -0.631  -5.428
   85   1HD1  ILE   7          2HD1      ILE   7   8.073  -3.936  -5.609
   86   2HD1  ILE   7          1HD1      ILE   7   7.696  -5.275  -4.525
   87   3HD1  ILE   7          3HD1      ILE   7   6.398  -4.269  -5.167
   88    QG1  ILE   7           QG1      ILE   7   7.656  -3.518  -3.029
   89    QG2  ILE   7           QG2      ILE   7   9.007  -1.279  -4.838
   90    QD1  ILE   7           QD1      ILE   7   7.389  -4.493  -5.101
   91    H    ILE   8           H        ILE   8   8.383   1.054  -2.239
   92    HA   ILE   8           HA       ILE   8   6.422   2.943  -3.377
   93    HB   ILE   8           HB       ILE   8   9.023   3.646  -2.037
   94   1HG1  ILE   8          2HG1      ILE   8   7.813   1.969  -0.611
   95   2HG1  ILE   8          1HG1      ILE   8   7.944   3.547   0.142
   96   1HG2  ILE   8          2HG2      ILE   8   6.352   4.959  -2.488
   97   2HG2  ILE   8          1HG2      ILE   8   7.437   5.525  -1.210
   98   3HG2  ILE   8          3HG2      ILE   8   7.967   5.556  -2.893
   99   1HD1  ILE   8          3HD1      ILE   8   5.546   3.781  -1.160
  100   2HD1  ILE   8          2HD1      ILE   8   5.548   2.070  -0.751
  101   3HD1  ILE   8          1HD1      ILE   8   5.717   3.282   0.519
  102    QG1  ILE   8           QG1      ILE   8   7.879   2.758  -0.235
  103    QG2  ILE   8           QG2      ILE   8   7.252   5.347  -2.197
  104    QD1  ILE   8           QD1      ILE   8   5.604   3.044  -0.464
  105    H    ASN   9           H        ASN   9   6.674   3.431  -5.530
  106    HA   ASN   9           HA       ASN   9   9.395   3.333  -6.743
  107   1HB   ASN   9          2HB       ASN   9   7.480   2.091  -7.735
  108   2HB   ASN   9          1HB       ASN   9   6.624   3.616  -7.948
  109   1HD2  ASN   9          1HD2      ASN   9   7.115   4.844  -9.811
  110   2HD2  ASN   9          2HD2      ASN   9   8.353   4.452 -10.904
  111    QB   ASN   9           QB       ASN   9   7.052   2.853  -7.841
  112    QD2  ASN   9           QD2      ASN   9   7.734   4.648 -10.358
  113    H    GLY  10           H        GLY  10   8.836   5.535  -4.978
  114   1HA   GLY  10          2HA       GLY  10   8.881   7.789  -6.942
  115   2HA   GLY  10          1HA       GLY  10   7.957   7.921  -5.445
  116    QA   GLY  10           QA       GLY  10   8.419   7.855  -6.194
  117    H    LYS  11           H        LYS  11   9.259   9.693  -4.701
  118    HA   LYS  11           HA       LYS  11  12.085   8.968  -4.003
  119   1HB   LYS  11          2HB       LYS  11  12.446  11.431  -4.038
  120   2HB   LYS  11          1HB       LYS  11  11.840  10.834  -5.581
  121   1HG   LYS  11          2HG       LYS  11   9.618  11.615  -5.107
  122   2HG   LYS  11          1HG       LYS  11  10.033  11.963  -3.430
  123   1HD   LYS  11          2HD       LYS  11  11.644  13.295  -5.562
  124   2HD   LYS  11          1HD       LYS  11  10.009  13.889  -5.271
  125   1HE   LYS  11          2HE       LYS  11  10.490  14.459  -3.016
  126   2HE   LYS  11          1HE       LYS  11  11.964  13.469  -2.998
  127   1HZ   LYS  11          3HZ       LYS  11  12.892  14.901  -4.722
  128   2HZ   LYS  11          2HZ       LYS  11  11.498  15.870  -4.690
  129   3HZ   LYS  11          1HZ       LYS  11  12.516  15.798  -3.332
  130    QB   LYS  11           QB       LYS  11  12.143  11.132  -4.809
  131    QG   LYS  11           QG       LYS  11   9.825  11.789  -4.268
  132    QD   LYS  11           QD       LYS  11  10.826  13.592  -5.416
  133    QE   LYS  11           QE       LYS  11  11.227  13.964  -3.007
  134    QZ   LYS  11           QZ       LYS  11  12.302  15.523  -4.248
  135    H    THR  12           H        THR  12   9.011  10.182  -2.782
  136    HA   THR  12           HA       THR  12  10.046  10.859  -0.127
  137    HB   THR  12           HB       THR  12   7.495  10.981   0.277
  138    HG1  THR  12          1HG       THR  12   6.357  11.043  -1.758
  139   1HG2  THR  12          2HG2      THR  12   9.045  12.889  -0.383
  140   2HG2  THR  12          1HG2      THR  12   8.527  12.617  -2.047
  141   3HG2  THR  12          3HG2      THR  12   7.350  13.099  -0.825
  142    QG2  THR  12           QG2      THR  12   8.307  12.868  -1.085
  143    H    LEU  13           H        LEU  13  10.694   9.251   1.203
  144    HA   LEU  13           HA       LEU  13  10.701   7.260   2.422
  145   1HB   LEU  13          2HB       LEU  13   8.667   6.971   3.406
  146   2HB   LEU  13          1HB       LEU  13   8.117   8.269   2.361
  147    HG   LEU  13           HG       LEU  13   7.667   6.345   0.647
  148   1HD1  LEU  13          2HD1      LEU  13   7.862   4.897   3.296
  149   2HD1  LEU  13          1HD1      LEU  13   6.931   4.262   1.937
  150   3HD1  LEU  13          3HD1      LEU  13   8.673   4.492   1.784
  151   1HD2  LEU  13          1HD2      LEU  13   6.037   7.813   2.042
  152   2HD2  LEU  13          3HD2      LEU  13   5.417   6.311   1.360
  153   3HD2  LEU  13          2HD2      LEU  13   5.866   6.387   3.062
  154    QB   LEU  13           QB       LEU  13   8.392   7.620   2.884
  155    QD1  LEU  13           QD1      LEU  13   7.822   4.551   2.339
  156    QD2  LEU  13           QD2      LEU  13   5.773   6.837   2.155
  157    QQD  LEU  13           QQD      LEU  13   6.798   5.694   2.247
  158    H    LYS  14           H        LYS  14  11.144   5.059   1.984
  159    HA   LYS  14           HA       LYS  14  10.285   3.914  -0.572
  160   1HB   LYS  14          2HB       LYS  14  12.649   3.523  -1.245
  161   2HB   LYS  14          1HB       LYS  14  12.272   5.240  -1.108
  162   1HG   LYS  14          2HG       LYS  14  13.228   5.241   1.190
  163   2HG   LYS  14          1HG       LYS  14  13.667   3.544   0.986
  164   1HD   LYS  14          2HD       LYS  14  15.648   4.614   0.372
  165   2HD   LYS  14          1HD       LYS  14  14.859   4.407  -1.192
  166   1HE   LYS  14          2HE       LYS  14  15.450   6.678  -1.265
  167   2HE   LYS  14          1HE       LYS  14  13.802   6.773  -0.614
  168   1HZ   LYS  14          1HZ       LYS  14  16.271   6.573   1.028
  169   2HZ   LYS  14          3HZ       LYS  14  15.408   8.007   0.757
  170   3HZ   LYS  14          2HZ       LYS  14  14.684   6.731   1.614
  171    QB   LYS  14           QB       LYS  14  12.460   4.381  -1.177
  172    QG   LYS  14           QG       LYS  14  13.447   4.393   1.088
  173    QD   LYS  14           QD       LYS  14  15.254   4.510  -0.410
  174    QE   LYS  14           QE       LYS  14  14.626   6.726  -0.940
  175    QZ   LYS  14           QZ       LYS  14  15.454   7.104   1.133
  176    H    GLY  15           H        GLY  15  10.179   1.676  -0.507
  177   1HA   GLY  15          2HA       GLY  15  11.597  -0.262   0.687
  178   2HA   GLY  15          1HA       GLY  15  10.783   0.410   2.101
  179    QA   GLY  15           QA       GLY  15  11.190   0.074   1.394
  180    H    GLU  16           H        GLU  16   9.821  -1.803   2.211
  181    HA   GLU  16           HA       GLU  16   7.596  -2.226   0.252
  182   1HB   GLU  16          2HB       GLU  16   9.303  -3.960   2.017
  183   2HB   GLU  16          1HB       GLU  16   7.724  -4.547   1.494
  184   1HG   GLU  16          2HG       GLU  16   9.243  -5.316  -0.168
  185   2HG   GLU  16          1HG       GLU  16   8.452  -3.912  -0.884
  186    QB   GLU  16           QB       GLU  16   8.514  -4.254   1.756
  187    QG   GLU  16           QG       GLU  16   8.848  -4.614  -0.526
  188    H    ILE  17           H        ILE  17   8.357  -2.236   3.747
  189    HA   ILE  17           HA       ILE  17   6.959  -1.991   5.637
  190    HB   ILE  17           HB       ILE  17   5.347  -0.473   3.553
  191   1HG1  ILE  17          2HG1      ILE  17   6.658   1.427   4.931
  192   2HG1  ILE  17          1HG1      ILE  17   7.826   0.116   5.106
  193   1HG2  ILE  17          2HG2      ILE  17   4.375  -1.091   5.939
  194   2HG2  ILE  17          1HG2      ILE  17   5.444   0.205   6.474
  195   3HG2  ILE  17          3HG2      ILE  17   4.178   0.538   5.294
  196   1HD1  ILE  17          3HD1      ILE  17   6.687   0.546   2.388
  197   2HD1  ILE  17          2HD1      ILE  17   7.825   1.759   2.977
  198   3HD1  ILE  17          1HD1      ILE  17   8.317   0.069   2.862
  199    QG1  ILE  17           QG1      ILE  17   7.242   0.772   5.018
  200    QG2  ILE  17           QG2      ILE  17   4.666  -0.116   5.903
  201    QD1  ILE  17           QD1      ILE  17   7.610   0.791   2.742
  202    H    THR  18           H        THR  18   6.273  -4.163   5.931
  203    HA   THR  18           HA       THR  18   3.948  -5.188   4.417
  204    HB   THR  18           HB       THR  18   4.489  -7.254   5.672
  205    HG1  THR  18          1HG       THR  18   6.061  -7.218   7.220
  206   1HG2  THR  18          2HG2      THR  18   6.066  -6.027   3.755
  207   2HG2  THR  18          1HG2      THR  18   7.228  -6.442   5.016
  208   3HG2  THR  18          3HG2      THR  18   6.224  -7.699   4.293
  209    QG2  THR  18           QG2      THR  18   6.506  -6.723   4.355
  210    H    ILE  19           H        ILE  19   1.877  -5.159   5.220
  211    HA   ILE  19           HA       ILE  19   1.458  -4.832   8.156
  212    HB   ILE  19           HB       ILE  19  -0.131  -2.979   7.696
  213   1HG1  ILE  19          2HG1      ILE  19   0.477  -2.029   5.202
  214   2HG1  ILE  19          1HG1      ILE  19   0.497  -3.766   4.909
  215   1HG2  ILE  19          2HG2      ILE  19   2.441  -2.723   8.055
  216   2HG2  ILE  19          1HG2      ILE  19   2.467  -2.275   6.350
  217   3HG2  ILE  19          3HG2      ILE  19   1.521  -1.327   7.496
  218   1HD1  ILE  19          3HD1      ILE  19  -1.757  -3.704   6.294
  219   2HD1  ILE  19          2HD1      ILE  19  -1.774  -2.015   5.784
  220   3HD1  ILE  19          1HD1      ILE  19  -1.756  -3.301   4.577
  221    QG1  ILE  19           QG1      ILE  19   0.487  -2.897   5.055
  222    QG2  ILE  19           QG2      ILE  19   2.143  -2.108   7.300
  223    QD1  ILE  19           QD1      ILE  19  -1.762  -3.006   5.552
  224    H    GLU  20           H        GLU  20  -0.148  -6.174   8.844
  225    HA   GLU  20           HA       GLU  20  -1.579  -7.898   7.005
  226   1HB   GLU  20          2HB       GLU  20  -1.857  -7.303   9.969
  227   2HB   GLU  20          1HB       GLU  20  -2.666  -8.638   9.145
  228   1HG   GLU  20          2HG       GLU  20  -0.543  -9.630   8.534
  229   2HG   GLU  20          1HG       GLU  20   0.337  -8.231   9.150
  230    QB   GLU  20           QB       GLU  20  -2.261  -7.971   9.557
  231    QG   GLU  20           QG       GLU  20  -0.103  -8.931   8.842
  232    H    ALA  21           H        ALA  21  -3.926  -7.982   6.768
  233    HA   ALA  21           HA       ALA  21  -5.622  -5.791   7.677
  234   1HB   ALA  21          1HB       ALA  21  -4.230  -4.695   5.947
  235   2HB   ALA  21          3HB       ALA  21  -4.719  -5.922   4.779
  236   3HB   ALA  21          2HB       ALA  21  -5.912  -4.795   5.428
  237    QB   ALA  21           QB       ALA  21  -4.954  -5.137   5.385
  238    H    VAL  22           H        VAL  22  -7.854  -6.062   6.835
  239    HA   VAL  22           HA       VAL  22  -8.817  -8.699   6.800
  240    HB   VAL  22           HB       VAL  22 -10.150  -6.675   7.237
  241   1HG1  VAL  22          3HG1      VAL  22  -8.919  -5.543   5.141
  242   2HG1  VAL  22          2HG1      VAL  22 -10.386  -6.077   4.322
  243   3HG1  VAL  22          1HG1      VAL  22 -10.496  -4.989   5.704
  244   1HG2  VAL  22          3HG2      VAL  22 -11.263  -8.782   6.431
  245   2HG2  VAL  22          2HG2      VAL  22 -12.164  -7.318   6.039
  246   3HG2  VAL  22          1HG2      VAL  22 -11.214  -8.126   4.794
  247    QG1  VAL  22           QG1      VAL  22  -9.934  -5.536   5.055
  248    QG2  VAL  22           QG2      VAL  22 -11.547  -8.075   5.755
  249    QQG  VAL  22           QQG      VAL  22 -10.740  -6.806   5.405
  250    H    ASP  23           H        ASP  23  -7.657  -6.703   4.149
  251    HA   ASP  23           HA       ASP  23  -7.269  -8.971   2.388
  252   1HB   ASP  23          2HB       ASP  23  -8.986  -8.248   0.709
  253   2HB   ASP  23          1HB       ASP  23  -9.706  -8.785   2.223
  254    QB   ASP  23           QB       ASP  23  -9.346  -8.516   1.466
  255    H    ALA  24           H        ALA  24  -6.778  -7.972   0.037
  256    HA   ALA  24           HA       ALA  24  -4.665  -6.053   0.365
  257   1HB   ALA  24          1HB       ALA  24  -5.387  -7.866  -1.512
  258   2HB   ALA  24          3HB       ALA  24  -5.970  -6.393  -2.288
  259   3HB   ALA  24          2HB       ALA  24  -4.270  -6.542  -1.844
  260    QB   ALA  24           QB       ALA  24  -5.209  -6.933  -1.881
  261    H    ALA  25           H        ALA  25  -8.082  -5.762  -0.452
  262    HA   ALA  25           HA       ALA  25  -8.173  -3.146  -1.510
  263   1HB   ALA  25          1HB       ALA  25  -9.947  -5.113  -0.912
  264   2HB   ALA  25          3HB       ALA  25 -10.296  -3.980   0.395
  265   3HB   ALA  25          2HB       ALA  25 -10.441  -3.461  -1.285
  266    QB   ALA  25           QB       ALA  25 -10.228  -4.185  -0.601
  267    H    GLU  26           H        GLU  26  -8.264  -4.254   1.872
  268    HA   GLU  26           HA       GLU  26  -8.463  -1.604   3.036
  269   1HB   GLU  26          2HB       GLU  26  -9.121  -3.768   4.116
  270   2HB   GLU  26          1HB       GLU  26  -7.417  -4.218   4.183
  271   1HG   GLU  26          2HG       GLU  26  -7.776  -3.296   6.308
  272   2HG   GLU  26          1HG       GLU  26  -7.117  -1.930   5.407
  273    QB   GLU  26           QB       GLU  26  -8.269  -3.993   4.149
  274    QG   GLU  26           QG       GLU  26  -7.447  -2.613   5.858
  275    H    ALA  27           H        ALA  27  -5.764  -3.879   2.466
  276    HA   ALA  27           HA       ALA  27  -3.637  -2.389   3.606
  277   1HB   ALA  27          1HB       ALA  27  -4.024  -4.475   1.542
  278   2HB   ALA  27          3HB       ALA  27  -2.528  -3.551   1.375
  279   3HB   ALA  27          2HB       ALA  27  -2.872  -4.419   2.875
  280    QB   ALA  27           QB       ALA  27  -3.142  -4.148   1.931
  281    H    GLU  28           H        GLU  28  -5.069  -2.195   0.349
  282    HA   GLU  28           HA       GLU  28  -3.305  -0.249  -0.755
  283   1HB   GLU  28          2HB       GLU  28  -5.193  -1.737  -1.785
  284   2HB   GLU  28          1HB       GLU  28  -6.250  -0.387  -1.374
  285   1HG   GLU  28          2HG       GLU  28  -4.519   1.100  -2.583
  286   2HG   GLU  28          1HG       GLU  28  -3.887  -0.402  -3.263
  287    QB   GLU  28           QB       GLU  28  -5.722  -1.062  -1.580
  288    QG   GLU  28           QG       GLU  28  -4.203   0.349  -2.923
  289    H    LYS  29           H        LYS  29  -6.339   0.155   1.142
  290    HA   LYS  29           HA       LYS  29  -6.253   3.055   0.923
  291   1HB   LYS  29          2HB       LYS  29  -8.258   2.969   2.118
  292   2HB   LYS  29          1HB       LYS  29  -8.233   1.404   1.329
  293   1HG   LYS  29          2HG       LYS  29  -8.496   0.439   3.340
  294   2HG   LYS  29          1HG       LYS  29  -6.920   1.034   3.816
  295   1HD   LYS  29          2HD       LYS  29  -9.520   2.556   4.090
  296   2HD   LYS  29          1HD       LYS  29  -8.652   1.767   5.406
  297   1HE   LYS  29          2HE       LYS  29  -7.264   3.835   3.692
  298   2HE   LYS  29          1HE       LYS  29  -8.261   4.320   5.078
  299   1HZ   LYS  29          1HZ       LYS  29  -6.212   2.189   5.285
  300   2HZ   LYS  29          3HZ       LYS  29  -5.839   3.819   5.568
  301   3HZ   LYS  29          2HZ       LYS  29  -6.985   3.030   6.542
  302    QB   LYS  29           QB       LYS  29  -8.246   2.187   1.724
  303    QG   LYS  29           QG       LYS  29  -7.708   0.736   3.578
  304    QD   LYS  29           QD       LYS  29  -9.086   2.161   4.748
  305    QE   LYS  29           QE       LYS  29  -7.763   4.077   4.385
  306    QZ   LYS  29           QZ       LYS  29  -6.345   3.013   5.798
  307    H    ILE  30           H        ILE  30  -5.039   0.689   3.271
  308    HA   ILE  30           HA       ILE  30  -4.241   2.607   5.294
  309    HB   ILE  30           HB       ILE  30  -3.171  -0.146   4.551
  310   1HG1  ILE  30          2HG1      ILE  30  -5.087   0.479   6.792
  311   2HG1  ILE  30          1HG1      ILE  30  -5.685   0.201   5.156
  312   1HG2  ILE  30          1HG2      ILE  30  -1.647   1.156   6.015
  313   2HG2  ILE  30          3HG2      ILE  30  -2.974   1.413   7.149
  314   3HG2  ILE  30          2HG2      ILE  30  -2.355  -0.215   6.871
  315   1HD1  ILE  30          1HD1      ILE  30  -3.707  -1.767   6.189
  316   2HD1  ILE  30          3HD1      ILE  30  -5.310  -1.803   6.925
  317   3HD1  ILE  30          2HD1      ILE  30  -5.134  -2.025   5.185
  318    QG1  ILE  30           QG1      ILE  30  -5.386   0.340   5.974
  319    QG2  ILE  30           QG2      ILE  30  -2.325   0.785   6.678
  320    QD1  ILE  30           QD1      ILE  30  -4.717  -1.865   6.100
  321    H    PHE  31           H        PHE  31  -2.713   1.102   2.489
  322    HA   PHE  31           HA       PHE  31  -0.133   2.411   2.799
  323   1HB   PHE  31          2HB       PHE  31  -1.609   0.842   0.682
  324   2HB   PHE  31          1HB       PHE  31  -0.077   1.615   0.292
  325    HD1  PHE  31          1HD       PHE  31   1.574   1.319   2.616
  326    HD2  PHE  31          2HD       PHE  31  -1.288  -1.446   0.993
  327    HE1  PHE  31          1HE       PHE  31   2.802  -0.566   3.660
  328    HE2  PHE  31          2HE       PHE  31  -0.061  -3.328   2.039
  329   1HZ   PHE  31           HZ       PHE  31   1.984  -2.889   3.371
  330    QB   PHE  31           QB       PHE  31  -0.843   1.228   0.487
  331    QG   PHE  31           QD       PHE  31   0.143  -0.063   1.804
  332    QZ   PHE  31           QE       PHE  31   1.371  -1.947   2.849
  333    QZ   PHE  31           QR       PHE  31   1.002  -1.382   2.536
  334    H    LYS  32           H        LYS  32  -3.109   3.045   0.952
  335    HA   LYS  32           HA       LYS  32  -2.090   5.308  -0.504
  336   1HB   LYS  32          2HB       LYS  32  -4.791   4.127   0.074
  337   2HB   LYS  32          1HB       LYS  32  -4.643   5.643  -0.810
  338   1HG   LYS  32          2HG       LYS  32  -2.859   3.459  -1.728
  339   2HG   LYS  32          1HG       LYS  32  -4.583   3.207  -2.012
  340   1HD   LYS  32          2HD       LYS  32  -3.123   5.747  -2.781
  341   2HD   LYS  32          1HD       LYS  32  -3.384   4.402  -3.890
  342   1HE   LYS  32          2HE       LYS  32  -5.577   4.942  -4.201
  343   2HE   LYS  32          1HE       LYS  32  -5.828   5.276  -2.476
  344   1HZ   LYS  32          1HZ       LYS  32  -4.369   7.033  -4.381
  345   2HZ   LYS  32          3HZ       LYS  32  -5.932   7.317  -3.790
  346   3HZ   LYS  32          2HZ       LYS  32  -4.607   7.344  -2.727
  347    QB   LYS  32           QB       LYS  32  -4.717   4.885  -0.368
  348    QG   LYS  32           QG       LYS  32  -3.721   3.333  -1.870
  349    QD   LYS  32           QD       LYS  32  -3.253   5.074  -3.336
  350    QE   LYS  32           QE       LYS  32  -5.702   5.109  -3.339
  351    QZ   LYS  32           QZ       LYS  32  -4.969   7.231  -3.632
  352    H    GLN  33           H        GLN  33  -2.821   4.992   2.789
  353    HA   GLN  33           HA       GLN  33  -3.603   7.895   3.033
  354   1HB   GLN  33          2HB       GLN  33  -4.075   5.376   4.555
  355   2HB   GLN  33          1HB       GLN  33  -3.826   6.831   5.516
  356   1HG   GLN  33          2HG       GLN  33  -5.726   6.911   3.196
  357   2HG   GLN  33          1HG       GLN  33  -6.254   6.211   4.726
  358   1HE2  GLN  33          2HE2      GLN  33  -7.043   9.458   5.845
  359   2HE2  GLN  33          1HE2      GLN  33  -7.566   7.863   5.596
  360    QB   GLN  33           QB       GLN  33  -3.951   6.104   5.036
  361    QG   GLN  33           QG       GLN  33  -5.990   6.561   3.961
  362    QE2  GLN  33           QE2      GLN  33  -7.304   8.661   5.721
  363    H    TYR  34           H        TYR  34  -1.586   5.310   4.193
  364    HA   TYR  34           HA       TYR  34   0.323   6.570   5.824
  365   1HB   TYR  34          2HB       TYR  34   0.237   4.224   5.662
  366   2HB   TYR  34          1HB       TYR  34   0.081   4.262   3.901
  367    HD1  TYR  34          2HD       TYR  34   2.430   4.497   6.769
  368    HD2  TYR  34          1HD       TYR  34   2.070   4.361   2.492
  369    HE1  TYR  34          2HE       TYR  34   4.870   4.101   6.577
  370    HE2  TYR  34          1HE       TYR  34   4.511   3.964   2.299
  371    HH   TYR  34           HH       TYR  34   6.648   4.346   4.962
  372    QB   TYR  34           QB       TYR  34   0.159   4.243   4.782
  373    QG   TYR  34           QD       TYR  34   2.250   4.429   4.631
  374    QZ   TYR  34           QE       TYR  34   4.690   4.032   4.438
  375    QR   TYR  34           QR       TYR  34   3.470   4.231   4.534
  376    H    ALA  35           H        ALA  35  -0.054   6.528   2.313
  377    HA   ALA  35           HA       ALA  35   2.552   7.675   1.638
  378   1HB   ALA  35          2HB       ALA  35  -0.047   7.006   0.295
  379   2HB   ALA  35          1HB       ALA  35   1.078   8.084  -0.537
  380   3HB   ALA  35          3HB       ALA  35   1.583   6.453  -0.089
  381    QB   ALA  35           QB       ALA  35   0.871   7.181  -0.111
  382    H    ASN  36           H        ASN  36  -0.800   8.939   1.682
  383    HA   ASN  36           HA       ASN  36  -0.254  11.627   0.967
  384   1HB   ASN  36          2HB       ASN  36  -2.359  10.171   2.524
  385   2HB   ASN  36          1HB       ASN  36  -2.403  11.933   2.460
  386   1HD2  ASN  36          2HD2      ASN  36  -3.007   9.822  -1.021
  387   2HD2  ASN  36          1HD2      ASN  36  -2.184   9.080   0.265
  388    QB   ASN  36           QB       ASN  36  -2.381  11.052   2.492
  389    QD2  ASN  36           QD2      ASN  36  -2.596   9.451  -0.378
  390    H    ASP  37           H        ASP  37  -0.480  10.182   4.232
  391    HA   ASP  37           HA       ASP  37  -0.030  12.470   5.801
  392   1HB   ASP  37          2HB       ASP  37  -0.350   9.799   6.203
  393   2HB   ASP  37          1HB       ASP  37   1.355   9.981   6.615
  394    QB   ASP  37           QB       ASP  37   0.503   9.890   6.409
  395    H    ASN  38           H        ASN  38   2.227  10.719   3.834
  396    HA   ASN  38           HA       ASN  38   4.522  12.180   4.969
  397   1HB   ASN  38          2HB       ASN  38   4.098   9.704   3.328
  398   2HB   ASN  38          1HB       ASN  38   5.684  10.477   3.344
  399   1HD2  ASN  38          2HD2      ASN  38   4.889   8.038   6.324
  400   2HD2  ASN  38          1HD2      ASN  38   4.235   7.957   4.759
  401    QB   ASN  38           QB       ASN  38   4.891  10.091   3.336
  402    QD2  ASN  38           QD2      ASN  38   4.562   7.998   5.542
  403    H    GLY  39           H        GLY  39   2.559  11.872   2.080
  404   1HA   GLY  39          2HA       GLY  39   2.428  13.811   0.550
  405   2HA   GLY  39          1HA       GLY  39   4.154  14.066   0.820
  406    QA   GLY  39           QA       GLY  39   3.291  13.938   0.685
  407    H    ILE  40           H        ILE  40   2.636  10.929   0.276
  408    HA   ILE  40           HA       ILE  40   4.393  10.520  -2.086
  409    HB   ILE  40           HB       ILE  40   2.953   8.914  -0.019
  410   1HG1  ILE  40          2HG1      ILE  40   5.151   7.724  -0.012
  411   2HG1  ILE  40          1HG1      ILE  40   5.700   8.837  -1.264
  412   1HG2  ILE  40          3HG2      ILE  40   2.227   7.891  -2.197
  413   2HG2  ILE  40          2HG2      ILE  40   3.931   7.625  -2.574
  414   3HG2  ILE  40          1HG2      ILE  40   3.194   6.825  -1.181
  415   1HD1  ILE  40          1HD1      ILE  40   4.594   9.733   1.403
  416   2HD1  ILE  40          3HD1      ILE  40   6.321   9.531   1.083
  417   3HD1  ILE  40          2HD1      ILE  40   5.391  10.732   0.181
  418    QG1  ILE  40           QG1      ILE  40   5.425   8.280  -0.638
  419    QG2  ILE  40           QG2      ILE  40   3.117   7.447  -1.984
  420    QD1  ILE  40           QD1      ILE  40   5.436   9.999   0.889
  421    H    ASP  41           H        ASP  41   3.421  11.308  -3.907
  422    HA   ASP  41           HA       ASP  41   0.636  10.380  -4.513
  423   1HB   ASP  41          2HB       ASP  41   0.163  12.675  -5.349
  424   2HB   ASP  41          1HB       ASP  41   0.564  12.668  -3.632
  425    QB   ASP  41           QB       ASP  41   0.363  12.672  -4.491
  426    H    GLY  42           H        GLY  42   0.875   9.129  -6.306
  427   1HA   GLY  42          2HA       GLY  42   1.897  10.253  -8.774
  428   2HA   GLY  42          1HA       GLY  42   2.962   8.998  -8.138
  429    QA   GLY  42           QA       GLY  42   2.429   9.626  -8.456
  430    H    GLU  43           H        GLU  43   2.456   6.913  -8.642
  431    HA   GLU  43           HA       GLU  43  -0.282   6.374  -9.764
  432   1HB   GLU  43          2HB       GLU  43   2.158   6.168 -10.962
  433   2HB   GLU  43          1HB       GLU  43   1.980   4.537 -10.317
  434   1HG   GLU  43          2HG       GLU  43  -0.133   4.244 -11.459
  435   2HG   GLU  43          1HG       GLU  43  -0.143   5.933 -11.968
  436    QB   GLU  43           QB       GLU  43   2.069   5.352 -10.639
  437    QG   GLU  43           QG       GLU  43  -0.138   5.089 -11.713
  438    H    TRP  44           H        TRP  44  -0.815   3.901  -9.530
  439    HA   TRP  44           HA       TRP  44   0.223   2.646  -7.025
  440   1HB   TRP  44          2HB       TRP  44  -2.493   3.869  -7.476
  441   2HB   TRP  44          1HB       TRP  44  -2.359   2.426  -6.463
  442    HD1  TRP  44           HD       TRP  44  -1.298   6.095  -6.604
  443    HE1  TRP  44          1HE       TRP  44  -0.489   6.791  -4.257
  444    HE3  TRP  44          3HE       TRP  44  -1.383   1.559  -4.299
  445    HZ2  TRP  44          2HZ       TRP  44   0.057   5.569  -1.728
  446    HZ3  TRP  44          3HZ       TRP  44  -0.711   1.347  -1.917
  447    HH2  TRP  44           HH       TRP  44   0.013   3.348  -0.640
  448    QB   TRP  44           QB       TRP  44  -2.426   3.148  -6.969
  449    H    THR  45           H        THR  45   0.313   0.470  -7.352
  450    HA   THR  45           HA       THR  45  -1.672  -0.816  -9.172
  451    HB   THR  45           HB       THR  45   0.002  -1.819 -10.524
  452    HG1  THR  45          1HG       THR  45   1.768  -2.414  -9.614
  453   1HG2  THR  45          1HG2      THR  45  -0.279   0.587 -11.004
  454   2HG2  THR  45          3HG2      THR  45   1.032   0.953  -9.883
  455   3HG2  THR  45          2HG2      THR  45   1.361   0.043 -11.360
  456    QG2  THR  45           QG2      THR  45   0.705   0.528 -10.749
  457    H    TYR  46           H        TYR  46  -2.347  -2.732  -8.331
  458    HA   TYR  46           HA       TYR  46  -1.029  -3.701  -5.852
  459   1HB   TYR  46          2HB       TYR  46  -3.397  -3.329  -5.716
  460   2HB   TYR  46          1HB       TYR  46  -3.689  -4.226  -7.210
  461    HD1  TYR  46          2HD       TYR  46  -1.795  -4.847  -4.025
  462    HD2  TYR  46          1HD       TYR  46  -4.664  -6.321  -6.861
  463    HE1  TYR  46          2HE       TYR  46  -1.985  -6.954  -2.736
  464    HE2  TYR  46          1HE       TYR  46  -4.847  -8.433  -5.575
  465    HH   TYR  46           HH       TYR  46  -2.674  -9.425  -3.346
  466    QB   TYR  46           QB       TYR  46  -3.543  -3.777  -6.463
  467    QG   TYR  46           QD       TYR  46  -3.229  -5.584  -5.443
  468    QZ   TYR  46           QE       TYR  46  -3.416  -7.693  -4.156
  469    QR   TYR  46           QR       TYR  46  -3.323  -6.639  -4.799
  470    H    ASP  47           H        ASP  47  -0.193  -5.795  -5.676
  471    HA   ASP  47           HA       ASP  47   0.094  -7.330  -8.239
  472   1HB   ASP  47          2HB       ASP  47   2.115  -6.166  -7.167
  473   2HB   ASP  47          1HB       ASP  47   1.961  -7.333  -5.853
  474    QB   ASP  47           QB       ASP  47   2.038  -6.749  -6.510
  475    H    ASP  48           H        ASP  48  -1.627  -8.781  -7.927
  476    HA   ASP  48           HA       ASP  48  -2.254 -10.056  -5.412
  477   1HB   ASP  48          2HB       ASP  48  -3.721  -9.648  -7.455
  478   2HB   ASP  48          1HB       ASP  48  -2.900 -11.015  -8.207
  479    QB   ASP  48           QB       ASP  48  -3.311 -10.331  -7.831
  480    H    ALA  49           H        ALA  49   0.380 -10.574  -7.466
  481    HA   ALA  49           HA       ALA  49   0.547 -13.493  -7.025
  482   1HB   ALA  49          1HB       ALA  49   2.186 -11.418  -8.507
  483   2HB   ALA  49          3HB       ALA  49   2.658 -13.114  -8.408
  484   3HB   ALA  49          2HB       ALA  49   1.151 -12.663  -9.204
  485    QB   ALA  49           QB       ALA  49   1.998 -12.398  -8.706
  486    H    THR  50           H        THR  50   1.868 -10.463  -5.819
  487    HA   THR  50           HA       THR  50   3.564 -12.020  -3.896
  488    HB   THR  50           HB       THR  50   5.129 -10.090  -4.042
  489    HG1  THR  50          1HG       THR  50   4.616  -8.375  -5.171
  490   1HG2  THR  50          1HG2      THR  50   4.972 -12.149  -5.726
  491   2HG2  THR  50          3HG2      THR  50   4.636 -10.863  -6.884
  492   3HG2  THR  50          2HG2      THR  50   6.144 -10.854  -5.969
  493    QG2  THR  50           QG2      THR  50   5.251 -11.289  -6.193
  494    H    LYS  51           H        LYS  51   0.769 -10.307  -4.092
  495    HA   LYS  51           HA       LYS  51  -0.499  -9.034  -2.560
  496   1HB   LYS  51          2HB       LYS  51   1.542 -10.262  -0.672
  497   2HB   LYS  51          1HB       LYS  51  -0.017  -9.589  -0.198
  498   1HG   LYS  51          2HG       LYS  51  -0.124 -11.629  -2.345
  499   2HG   LYS  51          1HG       LYS  51   0.379 -12.225  -0.764
  500   1HD   LYS  51          2HD       LYS  51  -1.630 -11.167   0.249
  501   2HD   LYS  51          1HD       LYS  51  -2.146 -10.653  -1.357
  502   1HE   LYS  51          2HE       LYS  51  -3.203 -12.654  -1.546
  503   2HE   LYS  51          1HE       LYS  51  -1.602 -13.415  -1.610
  504   1HZ   LYS  51          1HZ       LYS  51  -1.557 -13.379   0.827
  505   2HZ   LYS  51          3HZ       LYS  51  -3.130 -12.745   0.851
  506   3HZ   LYS  51          2HZ       LYS  51  -2.853 -14.306   0.240
  507    QB   LYS  51           QB       LYS  51   0.763  -9.925  -0.435
  508    QG   LYS  51           QG       LYS  51   0.128 -11.927  -1.555
  509    QD   LYS  51           QD       LYS  51  -1.888 -10.910  -0.554
  510    QE   LYS  51           QE       LYS  51  -2.403 -13.034  -1.578
  511    QZ   LYS  51           QZ       LYS  51  -2.514 -13.477   0.639
  512    H    THR  52           H        THR  52   1.665  -7.666  -3.908
  513    HA   THR  52           HA       THR  52   2.360  -5.630  -1.805
  514    HB   THR  52           HB       THR  52   4.071  -6.528  -4.142
  515    HG1  THR  52          1HG       THR  52   5.252  -7.612  -2.485
  516   1HG2  THR  52          3HG2      THR  52   4.271  -4.447  -2.067
  517   2HG2  THR  52          2HG2      THR  52   5.705  -5.463  -2.205
  518   3HG2  THR  52          1HG2      THR  52   5.111  -4.583  -3.612
  519    QG2  THR  52           QG2      THR  52   5.029  -4.831  -2.628
  520    H    PHE  53           H        PHE  53   1.848  -3.542  -2.383
  521    HA   PHE  53           HA       PHE  53   0.602  -3.077  -5.016
  522   1HB   PHE  53          2HB       PHE  53   0.948  -1.477  -2.470
  523   2HB   PHE  53          1HB       PHE  53   0.128  -0.835  -3.893
  524    HD1  PHE  53          2HD       PHE  53   0.084  -3.681  -1.465
  525    HD2  PHE  53          1HD       PHE  53  -2.154  -1.361  -4.315
  526    HE1  PHE  53          2HE       PHE  53  -2.005  -4.842  -0.778
  527    HE2  PHE  53          1HE       PHE  53  -4.227  -2.526  -3.627
  528   1HZ   PHE  53           HZ       PHE  53  -4.154  -4.266  -1.865
  529    QB   PHE  53           QB       PHE  53   0.538  -1.156  -3.182
  530    QG   PHE  53           QD       PHE  53  -1.035  -2.521  -2.890
  531    QZ   PHE  53           QE       PHE  53  -3.116  -3.684  -2.203
  532    QZ   PHE  53           QR       PHE  53  -2.491  -3.335  -2.410
  533    H    THR  54           H        THR  54   1.290  -0.384  -5.542
  534    HA   THR  54           HA       THR  54   4.227  -0.130  -5.493
  535    HB   THR  54           HB       THR  54   2.888  -0.116  -8.184
  536    HG1  THR  54          1HG       THR  54   3.918  -2.433  -6.916
  537   1HG2  THR  54          3HG2      THR  54   5.657  -0.803  -7.170
  538   2HG2  THR  54          2HG2      THR  54   5.165  -0.890  -8.863
  539   3HG2  THR  54          1HG2      THR  54   5.182   0.664  -8.027
  540    QG2  THR  54           QG2      THR  54   5.335  -0.343  -8.020
  541    H    VAL  55           H        VAL  55   3.761   1.814  -4.431
  542    HA   VAL  55           HA       VAL  55   1.997   3.761  -5.771
  543    HB   VAL  55           HB       VAL  55   1.630   3.490  -3.432
  544   1HG1  VAL  55          1HG1      VAL  55   4.623   3.862  -3.136
  545   2HG1  VAL  55          3HG1      VAL  55   3.500   4.009  -1.783
  546   3HG1  VAL  55          2HG1      VAL  55   3.634   2.478  -2.646
  547   1HG2  VAL  55          2HG2      VAL  55   1.609   5.834  -4.303
  548   2HG2  VAL  55          1HG2      VAL  55   1.973   5.733  -2.580
  549   3HG2  VAL  55          3HG2      VAL  55   3.269   6.017  -3.741
  550    QG1  VAL  55           QG1      VAL  55   3.919   3.450  -2.522
  551    QG2  VAL  55           QG2      VAL  55   2.284   5.861  -3.541
  552    QQG  VAL  55           QQG      VAL  55   3.101   4.655  -3.032
  553    H    THR  56           H        THR  56   3.023   4.680  -7.464
  554    HA   THR  56           HA       THR  56   5.835   5.536  -7.338
  555    HB   THR  56           HB       THR  56   3.563   5.433  -9.312
  556    HG1  THR  56          1HG       THR  56   5.235   4.380 -10.504
  557   1HG2  THR  56          1HG2      THR  56   6.076   7.083  -9.691
  558   2HG2  THR  56          3HG2      THR  56   5.014   6.583 -11.008
  559   3HG2  THR  56          2HG2      THR  56   4.407   7.658  -9.747
  560    QG2  THR  56           QG2      THR  56   5.166   7.108 -10.149
  561    H    GLU  57           H        GLU  57   6.247   7.951  -7.926
  562    HA   GLU  57           HA       GLU  57   4.159   9.750  -6.746
  563   1HB   GLU  57          2HB       GLU  57   5.965   9.014  -5.121
  564   2HB   GLU  57          1HB       GLU  57   7.134   9.840  -6.150
  565   1HG   GLU  57          2HG       GLU  57   4.801  11.507  -5.496
  566   2HG   GLU  57          1HG       GLU  57   5.716  11.010  -4.074
  567    QB   GLU  57           QB       GLU  57   6.550   9.427  -5.636
  568    QG   GLU  57           QG       GLU  57   5.259  11.258  -4.785
   
  No H/Q in entry =         568
  Start of MODEL   31
    1   1H    MET   1          1HT       MET   1   0.428 -13.273   7.979
    2   2H    MET   1          3HT       MET   1  -0.685 -12.418   8.930
    3   3H    MET   1          2HT       MET   1  -0.185 -13.972   9.401
    4    HA   MET   1           HA       MET   1  -1.332 -14.995   7.596
    5   1HB   MET   1          2HB       MET   1  -2.424 -13.756   9.754
    6   2HB   MET   1          1HB       MET   1  -3.323 -12.967   8.457
    7   1HG   MET   1          2HG       MET   1  -3.992 -15.148   7.559
    8   2HG   MET   1          1HG       MET   1  -3.045 -15.968   8.800
    9   1HE   MET   1          1HE       MET   1  -4.125 -17.187   9.975
   10   2HE   MET   1          3HE       MET   1  -5.338 -16.828  11.213
   11   3HE   MET   1          2HE       MET   1  -5.840 -17.235   9.574
   12    QB   MET   1           QB       MET   1  -2.874 -13.362   9.105
   13    QG   MET   1           QG       MET   1  -3.519 -15.558   8.179
   14    QE   MET   1           QE       MET   1  -5.101 -17.083  10.254
   15    H    THR   2           H        THR   2  -2.156 -11.501   7.516
   16    HA   THR   2           HA       THR   2  -2.148 -11.666   4.517
   17    HB   THR   2           HB       THR   2  -3.911 -10.006   6.348
   18    HG1  THR   2          1HG       THR   2  -5.106 -11.707   6.440
   19   1HG2  THR   2          2HG2      THR   2  -3.556 -10.237   3.399
   20   2HG2  THR   2          1HG2      THR   2  -5.205 -10.074   4.002
   21   3HG2  THR   2          3HG2      THR   2  -4.005  -8.835   4.370
   22    QG2  THR   2           QG2      THR   2  -4.255  -9.716   3.924
   23    H    THR   3           H        THR   3   0.201 -10.946   5.882
   24    HA   THR   3           HA       THR   3   0.449  -8.107   6.356
   25    HB   THR   3           HB       THR   3   2.615 -10.044   5.505
   26    HG1  THR   3          1HG       THR   3   2.668 -10.721   7.618
   27   1HG2  THR   3          1HG2      THR   3   2.830  -7.420   6.010
   28   2HG2  THR   3          3HG2      THR   3   2.909  -8.016   7.669
   29   3HG2  THR   3          2HG2      THR   3   4.086  -8.569   6.478
   30    QG2  THR   3           QG2      THR   3   3.275  -8.001   6.719
   31    H    PHE   4           H        PHE   4  -0.598  -7.198   4.431
   32    HA   PHE   4           HA       PHE   4   0.379  -7.700   1.752
   33   1HB   PHE   4          2HB       PHE   4  -1.430  -5.798   3.172
   34   2HB   PHE   4          1HB       PHE   4  -0.839  -5.301   1.586
   35    HD1  PHE   4          2HD       PHE   4  -0.946  -7.160  -0.289
   36    HD2  PHE   4          1HD       PHE   4  -3.320  -7.166   3.288
   37    HE1  PHE   4          2HE       PHE   4  -2.574  -8.683  -1.375
   38    HE2  PHE   4          1HE       PHE   4  -4.950  -8.687   2.200
   39   1HZ   PHE   4           HZ       PHE   4  -4.576  -9.447  -0.128
   40    QB   PHE   4           QB       PHE   4  -1.135  -5.549   2.379
   41    QG   PHE   4           QD       PHE   4  -2.133  -7.163   1.499
   42    QZ   PHE   4           QE       PHE   4  -3.762  -8.685   0.413
   43    QZ   PHE   4           QR       PHE   4  -3.273  -8.228   0.739
   44    H    LYS   5           H        LYS   5   2.235  -6.924   0.850
   45    HA   LYS   5           HA       LYS   5   3.866  -4.968   2.344
   46   1HB   LYS   5          2HB       LYS   5   4.243  -6.716  -0.099
   47   2HB   LYS   5          1HB       LYS   5   5.478  -5.578   0.443
   48   1HG   LYS   5          2HG       LYS   5   5.270  -6.709   2.745
   49   2HG   LYS   5          1HG       LYS   5   4.392  -7.988   1.904
   50   1HD   LYS   5          2HD       LYS   5   6.508  -7.794   0.259
   51   2HD   LYS   5          1HD       LYS   5   7.275  -7.252   1.753
   52   1HE   LYS   5          2HE       LYS   5   5.683  -9.829   1.484
   53   2HE   LYS   5          1HE       LYS   5   7.455  -9.728   1.471
   54   1HZ   LYS   5          3HZ       LYS   5   7.281  -8.496   3.608
   55   2HZ   LYS   5          2HZ       LYS   5   5.624  -8.865   3.645
   56   3HZ   LYS   5          1HZ       LYS   5   6.775 -10.111   3.711
   57    QB   LYS   5           QB       LYS   5   4.861  -6.147   0.172
   58    QG   LYS   5           QG       LYS   5   4.831  -7.348   2.324
   59    QD   LYS   5           QD       LYS   5   6.892  -7.523   1.006
   60    QE   LYS   5           QE       LYS   5   6.569  -9.778   1.477
   61    QZ   LYS   5           QZ       LYS   5   6.560  -9.157   3.655
   62    H    LEU   6           H        LEU   6   5.050  -3.312   0.831
   63    HA   LEU   6           HA       LEU   6   3.406  -2.271  -1.388
   64   1HB   LEU   6          2HB       LEU   6   2.261  -1.414   0.596
   65   2HB   LEU   6          1HB       LEU   6   3.784  -0.838   1.266
   66    HG   LEU   6           HG       LEU   6   3.801   0.430  -1.154
   67   1HD1  LEU   6          1HD1      LEU   6   1.018  -0.344  -0.578
   68   2HD1  LEU   6          3HD1      LEU   6   1.242   1.374  -0.908
   69   3HD1  LEU   6          2HD1      LEU   6   1.758   0.177  -2.092
   70   1HD2  LEU   6          2HD2      LEU   6   3.669   1.140   1.515
   71   2HD2  LEU   6          1HD2      LEU   6   3.800   2.273   0.170
   72   3HD2  LEU   6          3HD2      LEU   6   2.219   1.892   0.851
   73    QB   LEU   6           QB       LEU   6   3.022  -1.126   0.931
   74    QD1  LEU   6           QD1      LEU   6   1.339   0.403  -1.192
   75    QD2  LEU   6           QD2      LEU   6   3.229   1.769   0.845
   76    QQD  LEU   6           QQD      LEU   6   2.284   1.086  -0.173
   77    H    ILE   7           H        ILE   7   5.037  -1.948  -2.848
   78    HA   ILE   7           HA       ILE   7   7.704  -1.008  -1.951
   79    HB   ILE   7           HB       ILE   7   6.564  -1.791  -4.662
   80   1HG1  ILE   7          2HG1      ILE   7   8.551  -3.417  -3.109
   81   2HG1  ILE   7          1HG1      ILE   7   6.851  -3.500  -2.649
   82   1HG2  ILE   7          1HG2      ILE   7   9.207  -0.774  -3.755
   83   2HG2  ILE   7          3HG2      ILE   7   9.243  -2.142  -4.870
   84   3HG2  ILE   7          2HG2      ILE   7   8.432  -0.646  -5.335
   85   1HD1  ILE   7          2HD1      ILE   7   6.446  -3.844  -5.216
   86   2HD1  ILE   7          1HD1      ILE   7   8.148  -4.306  -5.238
   87   3HD1  ILE   7          3HD1      ILE   7   7.004  -5.206  -4.243
   88    QG1  ILE   7           QG1      ILE   7   7.701  -3.458  -2.879
   89    QG2  ILE   7           QG2      ILE   7   8.961  -1.188  -4.653
   90    QD1  ILE   7           QD1      ILE   7   7.199  -4.452  -4.899
   91    H    ILE   8           H        ILE   8   7.872   1.209  -1.719
   92    HA   ILE   8           HA       ILE   8   6.046   2.951  -3.239
   93    HB   ILE   8           HB       ILE   8   8.151   3.543  -1.121
   94   1HG1  ILE   8          2HG1      ILE   8   6.112   4.068   0.272
   95   2HG1  ILE   8          1HG1      ILE   8   5.117   3.417  -1.018
   96   1HG2  ILE   8          3HG2      ILE   8   6.118   5.289  -2.538
   97   2HG2  ILE   8          2HG2      ILE   8   6.895   5.761  -1.023
   98   3HG2  ILE   8          1HG2      ILE   8   7.870   5.518  -2.475
   99   1HD1  ILE   8          3HD1      ILE   8   7.325   1.750   0.122
  100   2HD1  ILE   8          2HD1      ILE   8   5.788   1.876   0.981
  101   3HD1  ILE   8          1HD1      ILE   8   5.832   1.245  -0.668
  102    QG1  ILE   8           QG1      ILE   8   5.615   3.743  -0.373
  103    QG2  ILE   8           QG2      ILE   8   6.961   5.523  -2.012
  104    QD1  ILE   8           QD1      ILE   8   6.315   1.624   0.145
  105    H    ASN   9           H        ASN   9   6.706   3.478  -5.306
  106    HA   ASN   9           HA       ASN   9   9.598   3.544  -5.951
  107   1HB   ASN   9          2HB       ASN   9   7.955   2.361  -7.383
  108   2HB   ASN   9          1HB       ASN   9   7.100   3.879  -7.647
  109   1HD2  ASN   9          2HD2      ASN   9   9.391   5.055 -10.074
  110   2HD2  ASN   9          1HD2      ASN   9   8.011   5.398  -9.146
  111    QB   ASN   9           QB       ASN   9   7.528   3.120  -7.515
  112    QD2  ASN   9           QD2      ASN   9   8.701   5.226  -9.610
  113    H    GLY  10           H        GLY  10  10.619   5.436  -6.791
  114   1HA   GLY  10          2HA       GLY  10  10.270   7.799  -7.628
  115   2HA   GLY  10          1HA       GLY  10   9.134   7.986  -6.290
  116    QA   GLY  10           QA       GLY  10   9.702   7.892  -6.959
  117    H    LYS  11           H        LYS  11   9.938   8.748  -4.387
  118    HA   LYS  11           HA       LYS  11  12.673   8.218  -3.506
  119   1HB   LYS  11          2HB       LYS  11  13.391  10.596  -3.686
  120   2HB   LYS  11          1HB       LYS  11  13.034   9.901  -5.266
  121   1HG   LYS  11          2HG       LYS  11  10.926  11.016  -5.393
  122   2HG   LYS  11          1HG       LYS  11  10.972  11.450  -3.684
  123   1HD   LYS  11          2HD       LYS  11  13.276  12.609  -4.513
  124   2HD   LYS  11          1HD       LYS  11  12.330  12.724  -5.997
  125   1HE   LYS  11          2HE       LYS  11  10.864  13.464  -3.527
  126   2HE   LYS  11          1HE       LYS  11  12.173  14.567  -3.998
  127   1HZ   LYS  11          3HZ       LYS  11  11.285  14.530  -6.276
  128   2HZ   LYS  11          2HZ       LYS  11   9.975  13.586  -5.744
  129   3HZ   LYS  11          1HZ       LYS  11  10.171  15.173  -5.170
  130    QB   LYS  11           QB       LYS  11  13.213  10.249  -4.476
  131    QG   LYS  11           QG       LYS  11  10.949  11.233  -4.539
  132    QD   LYS  11           QD       LYS  11  12.803  12.667  -5.255
  133    QE   LYS  11           QE       LYS  11  11.518  14.016  -3.762
  134    QZ   LYS  11           QZ       LYS  11  10.477  14.430  -5.730
  135    H    THR  12           H        THR  12  10.230   7.756  -2.220
  136    HA   THR  12           HA       THR  12  10.502   9.496   0.158
  137    HB   THR  12           HB       THR  12   7.725   9.109  -0.859
  138    HG1  THR  12          1HG       THR  12   8.195  10.049  -2.667
  139   1HG2  THR  12          2HG2      THR  12   9.219  11.396   0.450
  140   2HG2  THR  12          1HG2      THR  12   7.494  11.392   0.087
  141   3HG2  THR  12          3HG2      THR  12   8.152  10.253   1.263
  142    QG2  THR  12           QG2      THR  12   8.288  11.014   0.600
  143    H    LEU  13           H        LEU  13  10.633   8.090   1.808
  144    HA   LEU  13           HA       LEU  13  10.323   6.176   3.116
  145   1HB   LEU  13          2HB       LEU  13   8.139   6.219   3.774
  146   2HB   LEU  13          1HB       LEU  13   7.941   7.471   2.558
  147    HG   LEU  13           HG       LEU  13   7.528   5.360   0.984
  148   1HD1  LEU  13          3HD1      LEU  13   7.862   4.009   3.314
  149   2HD1  LEU  13          2HD1      LEU  13   6.132   4.325   3.406
  150   3HD1  LEU  13          1HD1      LEU  13   6.792   3.437   2.034
  151   1HD2  LEU  13          3HD2      LEU  13   6.019   7.351   1.864
  152   2HD2  LEU  13          2HD2      LEU  13   5.287   5.965   1.057
  153   3HD2  LEU  13          1HD2      LEU  13   5.270   6.072   2.816
  154    QB   LEU  13           QB       LEU  13   8.040   6.845   3.166
  155    QD1  LEU  13           QD1      LEU  13   6.928   3.924   2.918
  156    QD2  LEU  13           QD2      LEU  13   5.525   6.462   1.912
  157    QQD  LEU  13           QQD      LEU  13   6.227   5.193   2.415
  158    H    LYS  14           H        LYS  14  11.206   5.882   0.210
  159    HA   LYS  14           HA       LYS  14  10.225   3.681  -1.164
  160   1HB   LYS  14          2HB       LYS  14  13.098   4.473  -0.608
  161   2HB   LYS  14          1HB       LYS  14  12.588   3.414  -1.923
  162   1HG   LYS  14          2HG       LYS  14  10.930   5.486  -2.381
  163   2HG   LYS  14          1HG       LYS  14  12.265   6.358  -1.627
  164   1HD   LYS  14          2HD       LYS  14  12.600   4.418  -3.932
  165   2HD   LYS  14          1HD       LYS  14  12.475   6.167  -4.125
  166   1HE   LYS  14          2HE       LYS  14  14.517   6.547  -2.936
  167   2HE   LYS  14          1HE       LYS  14  14.557   4.877  -2.336
  168   1HZ   LYS  14          1HZ       LYS  14  14.600   4.149  -4.694
  169   2HZ   LYS  14          3HZ       LYS  14  14.790   5.768  -5.160
  170   3HZ   LYS  14          2HZ       LYS  14  15.989   5.008  -4.227
  171    QB   LYS  14           QB       LYS  14  12.843   3.944  -1.265
  172    QG   LYS  14           QG       LYS  14  11.597   5.922  -2.004
  173    QD   LYS  14           QD       LYS  14  12.538   5.293  -4.029
  174    QE   LYS  14           QE       LYS  14  14.537   5.712  -2.636
  175    QZ   LYS  14           QZ       LYS  14  15.126   4.975  -4.694
  176    H    GLY  15           H        GLY  15   9.592   1.769  -0.209
  177   1HA   GLY  15          2HA       GLY  15  11.490  -0.118   0.759
  178   2HA   GLY  15          1HA       GLY  15  10.701   0.628   2.149
  179    QA   GLY  15           QA       GLY  15  11.096   0.255   1.454
  180    H    GLU  16           H        GLU  16   9.860  -1.609   2.507
  181    HA   GLU  16           HA       GLU  16   7.592  -2.324   0.684
  182   1HB   GLU  16          2HB       GLU  16   9.267  -3.879   2.676
  183   2HB   GLU  16          1HB       GLU  16   7.879  -4.562   1.828
  184   1HG   GLU  16          2HG       GLU  16   8.925  -4.344  -0.290
  185   2HG   GLU  16          1HG       GLU  16  10.154  -3.247   0.340
  186    QB   GLU  16           QB       GLU  16   8.573  -4.221   2.252
  187    QG   GLU  16           QG       GLU  16   9.540  -3.796   0.025
  188    H    ILE  17           H        ILE  17   8.473  -1.697   4.055
  189    HA   ILE  17           HA       ILE  17   7.163  -1.119   5.922
  190    HB   ILE  17           HB       ILE  17   4.836  -1.004   3.978
  191   1HG1  ILE  17          2HG1      ILE  17   6.715   0.311   3.057
  192   2HG1  ILE  17          1HG1      ILE  17   5.441   1.378   3.640
  193   1HG2  ILE  17          1HG2      ILE  17   5.440   0.114   6.700
  194   2HG2  ILE  17          3HG2      ILE  17   4.300   0.937   5.637
  195   3HG2  ILE  17          2HG2      ILE  17   3.994  -0.726   6.140
  196   1HD1  ILE  17          3HD1      ILE  17   7.029   1.039   5.887
  197   2HD1  ILE  17          2HD1      ILE  17   8.207   1.090   4.576
  198   3HD1  ILE  17          1HD1      ILE  17   7.080   2.427   4.801
  199    QG1  ILE  17           QG1      ILE  17   6.078   0.845   3.348
  200    QG2  ILE  17           QG2      ILE  17   4.578   0.108   6.159
  201    QD1  ILE  17           QD1      ILE  17   7.439   1.519   5.088
  202    H    THR  18           H        THR  18   5.016  -3.117   3.842
  203    HA   THR  18           HA       THR  18   3.907  -5.140   4.280
  204    HB   THR  18           HB       THR  18   5.159  -6.788   5.341
  205    HG1  THR  18          1HG       THR  18   5.907  -4.759   7.146
  206   1HG2  THR  18          2HG2      THR  18   6.596  -5.134   3.777
  207   2HG2  THR  18          1HG2      THR  18   7.517  -4.982   5.272
  208   3HG2  THR  18          3HG2      THR  18   7.286  -6.568   4.536
  209    QG2  THR  18           QG2      THR  18   7.133  -5.561   4.528
  210    H    ILE  19           H        ILE  19   1.914  -4.888   5.114
  211    HA   ILE  19           HA       ILE  19   1.645  -4.556   8.067
  212    HB   ILE  19           HB       ILE  19  -0.029  -2.764   7.698
  213   1HG1  ILE  19          2HG1      ILE  19   0.315  -1.785   5.195
  214   2HG1  ILE  19          1HG1      ILE  19   0.492  -3.509   4.864
  215   1HG2  ILE  19          1HG2      ILE  19   2.528  -2.381   7.906
  216   2HG2  ILE  19          3HG2      ILE  19   2.466  -2.007   6.185
  217   3HG2  ILE  19          2HG2      ILE  19   1.537  -1.040   7.330
  218   1HD1  ILE  19          1HD1      ILE  19  -1.682  -3.550   6.496
  219   2HD1  ILE  19          3HD1      ILE  19  -1.904  -1.981   5.721
  220   3HD1  ILE  19          2HD1      ILE  19  -1.790  -3.442   4.739
  221    QG1  ILE  19           QG1      ILE  19   0.404  -2.647   5.029
  222    QG2  ILE  19           QG2      ILE  19   2.177  -1.809   7.140
  223    QD1  ILE  19           QD1      ILE  19  -1.792  -2.991   5.652
  224    H    GLU  20           H        GLU  20   0.086  -5.897   8.866
  225    HA   GLU  20           HA       GLU  20  -1.337  -7.740   7.142
  226   1HB   GLU  20          2HB       GLU  20  -2.319  -8.467   9.316
  227   2HB   GLU  20          1HB       GLU  20  -0.568  -8.297   9.406
  228   1HG   GLU  20          2HG       GLU  20  -0.678  -6.523  10.841
  229   2HG   GLU  20          1HG       GLU  20  -2.112  -5.852  10.065
  230    QB   GLU  20           QB       GLU  20  -1.444  -8.382   9.361
  231    QG   GLU  20           QG       GLU  20  -1.395  -6.188  10.453
  232    H    ALA  21           H        ALA  21  -3.663  -7.890   6.883
  233    HA   ALA  21           HA       ALA  21  -5.441  -5.764   7.790
  234   1HB   ALA  21          2HB       ALA  21  -4.060  -4.663   6.023
  235   2HB   ALA  21          1HB       ALA  21  -4.616  -5.876   4.871
  236   3HB   ALA  21          3HB       ALA  21  -5.765  -4.745   5.585
  237    QB   ALA  21           QB       ALA  21  -4.814  -5.094   5.493
  238    H    VAL  22           H        VAL  22  -7.660  -6.113   6.962
  239    HA   VAL  22           HA       VAL  22  -8.529  -8.783   6.941
  240    HB   VAL  22           HB       VAL  22  -9.922  -6.808   7.406
  241   1HG1  VAL  22          2HG1      VAL  22  -8.801  -5.517   5.439
  242   2HG1  VAL  22          1HG1      VAL  22 -10.053  -6.263   4.446
  243   3HG1  VAL  22          3HG1      VAL  22 -10.501  -5.207   5.786
  244   1HG2  VAL  22          1HG2      VAL  22 -10.875  -9.024   6.468
  245   2HG2  VAL  22          3HG2      VAL  22 -11.921  -7.605   6.423
  246   3HG2  VAL  22          2HG2      VAL  22 -11.091  -8.136   4.960
  247    QG1  VAL  22           QG1      VAL  22  -9.785  -5.662   5.224
  248    QG2  VAL  22           QG2      VAL  22 -11.295  -8.255   5.950
  249    QQG  VAL  22           QQG      VAL  22 -10.540  -6.959   5.587
  250    H    ASP  23           H        ASP  23  -7.761  -6.660   4.192
  251    HA   ASP  23           HA       ASP  23  -7.300  -8.994   2.453
  252   1HB   ASP  23          2HB       ASP  23  -9.684  -7.173   2.308
  253   2HB   ASP  23          1HB       ASP  23  -9.009  -7.803   0.805
  254    QB   ASP  23           QB       ASP  23  -9.346  -7.488   1.557
  255    H    ALA  24           H        ALA  24  -6.775  -8.025   0.116
  256    HA   ALA  24           HA       ALA  24  -4.620  -6.151   0.421
  257   1HB   ALA  24          2HB       ALA  24  -5.399  -7.958  -1.446
  258   2HB   ALA  24          1HB       ALA  24  -5.943  -6.473  -2.228
  259   3HB   ALA  24          3HB       ALA  24  -4.244  -6.666  -1.790
  260    QB   ALA  24           QB       ALA  24  -5.195  -7.032  -1.821
  261    H    ALA  25           H        ALA  25  -8.027  -5.802  -0.430
  262    HA   ALA  25           HA       ALA  25  -8.064  -3.180  -1.478
  263   1HB   ALA  25          2HB       ALA  25 -10.019  -4.725   0.249
  264   2HB   ALA  25          1HB       ALA  25 -10.428  -3.216  -0.568
  265   3HB   ALA  25          3HB       ALA  25  -9.997  -4.642  -1.513
  266    QB   ALA  25           QB       ALA  25 -10.148  -4.194  -0.611
  267    H    GLU  26           H        GLU  26  -8.320  -4.283   1.905
  268    HA   GLU  26           HA       GLU  26  -8.498  -1.659   3.089
  269   1HB   GLU  26          2HB       GLU  26  -8.933  -4.129   3.964
  270   2HB   GLU  26          1HB       GLU  26  -7.243  -4.025   4.456
  271   1HG   GLU  26          2HG       GLU  26  -8.590  -3.276   6.317
  272   2HG   GLU  26          1HG       GLU  26  -7.803  -1.857   5.623
  273    QB   GLU  26           QB       GLU  26  -8.088  -4.077   4.210
  274    QG   GLU  26           QG       GLU  26  -8.196  -2.566   5.970
  275    H    ALA  27           H        ALA  27  -5.779  -3.896   2.516
  276    HA   ALA  27           HA       ALA  27  -3.663  -2.404   3.667
  277   1HB   ALA  27          3HB       ALA  27  -4.054  -4.522   1.653
  278   2HB   ALA  27          2HB       ALA  27  -2.580  -3.583   1.407
  279   3HB   ALA  27          1HB       ALA  27  -2.854  -4.414   2.941
  280    QB   ALA  27           QB       ALA  27  -3.163  -4.173   2.000
  281    H    GLU  28           H        GLU  28  -4.996  -2.266   0.349
  282    HA   GLU  28           HA       GLU  28  -3.264  -0.254  -0.690
  283   1HB   GLU  28          2HB       GLU  28  -5.061  -1.796  -1.795
  284   2HB   GLU  28          1HB       GLU  28  -6.189  -0.502  -1.393
  285   1HG   GLU  28          2HG       GLU  28  -4.359   1.036  -2.514
  286   2HG   GLU  28          1HG       GLU  28  -3.869  -0.460  -3.309
  287    QB   GLU  28           QB       GLU  28  -5.625  -1.149  -1.594
  288    QG   GLU  28           QG       GLU  28  -4.114   0.288  -2.911
  289    H    LYS  29           H        LYS  29  -6.275  -0.026   1.206
  290    HA   LYS  29           HA       LYS  29  -6.543   2.856   1.012
  291   1HB   LYS  29          2HB       LYS  29  -7.527   0.749   2.963
  292   2HB   LYS  29          1HB       LYS  29  -8.033   2.437   3.030
  293   1HG   LYS  29          2HG       LYS  29  -8.454   1.884   0.388
  294   2HG   LYS  29          1HG       LYS  29  -8.797   0.315   1.116
  295   1HD   LYS  29          2HD       LYS  29 -10.877   1.237   1.390
  296   2HD   LYS  29          1HD       LYS  29 -10.131   1.899   2.846
  297   1HE   LYS  29          2HE       LYS  29 -10.843   3.904   1.976
  298   2HE   LYS  29          1HE       LYS  29  -9.381   3.765   0.979
  299   1HZ   LYS  29          1HZ       LYS  29 -10.700   2.467  -0.627
  300   2HZ   LYS  29          3HZ       LYS  29 -12.095   2.767   0.291
  301   3HZ   LYS  29          2HZ       LYS  29 -11.275   4.055  -0.454
  302    QB   LYS  29           QB       LYS  29  -7.780   1.593   2.997
  303    QG   LYS  29           QG       LYS  29  -8.625   1.100   0.752
  304    QD   LYS  29           QD       LYS  29 -10.504   1.568   2.118
  305    QE   LYS  29           QE       LYS  29 -10.112   3.835   1.478
  306    QZ   LYS  29           QZ       LYS  29 -11.357   3.096  -0.263
  307    H    ILE  30           H        ILE  30  -5.287   0.702   3.577
  308    HA   ILE  30           HA       ILE  30  -4.338   2.698   5.379
  309    HB   ILE  30           HB       ILE  30  -3.284  -0.087   4.731
  310   1HG1  ILE  30          2HG1      ILE  30  -5.059   0.563   7.059
  311   2HG1  ILE  30          1HG1      ILE  30  -5.789   0.387   5.463
  312   1HG2  ILE  30          3HG2      ILE  30  -1.941   1.669   6.238
  313   2HG2  ILE  30          2HG2      ILE  30  -3.106   1.144   7.452
  314   3HG2  ILE  30          1HG2      ILE  30  -2.044  -0.034   6.683
  315   1HD1  ILE  30          2HD1      ILE  30  -3.832  -1.721   6.149
  316   2HD1  ILE  30          1HD1      ILE  30  -5.280  -1.703   7.160
  317   3HD1  ILE  30          3HD1      ILE  30  -5.429  -1.861   5.409
  318    QG1  ILE  30           QG1      ILE  30  -5.424   0.475   6.261
  319    QG2  ILE  30           QG2      ILE  30  -2.364   0.926   6.791
  320    QD1  ILE  30           QD1      ILE  30  -4.847  -1.762   6.239
  321    H    PHE  31           H        PHE  31  -2.865   1.137   2.572
  322    HA   PHE  31           HA       PHE  31  -0.272   2.435   2.829
  323   1HB   PHE  31          2HB       PHE  31  -1.776   0.782   0.815
  324   2HB   PHE  31          1HB       PHE  31  -0.289   1.580   0.320
  325    HD1  PHE  31          1HD       PHE  31   1.453   1.420   2.624
  326    HD2  PHE  31          2HD       PHE  31  -1.349  -1.475   1.138
  327    HE1  PHE  31          1HE       PHE  31   2.778  -0.398   3.672
  328    HE2  PHE  31          2HE       PHE  31  -0.028  -3.294   2.187
  329   1HZ   PHE  31           HZ       PHE  31   2.037  -2.755   3.453
  330    QB   PHE  31           QB       PHE  31  -1.033   1.181   0.567
  331    QG   PHE  31           QD       PHE  31   0.052  -0.028   1.881
  332    QZ   PHE  31           QE       PHE  31   1.375  -1.846   2.930
  333    QZ   PHE  31           QR       PHE  31   0.978  -1.300   2.615
  334    H    LYS  32           H        LYS  32  -3.233   3.036   0.940
  335    HA   LYS  32           HA       LYS  32  -2.151   5.270  -0.533
  336   1HB   LYS  32          2HB       LYS  32  -4.882   4.093  -0.080
  337   2HB   LYS  32          1HB       LYS  32  -4.662   5.555  -1.035
  338   1HG   LYS  32          2HG       LYS  32  -2.758   3.473  -1.804
  339   2HG   LYS  32          1HG       LYS  32  -4.428   2.931  -1.966
  340   1HD   LYS  32          2HD       LYS  32  -3.439   5.571  -3.070
  341   2HD   LYS  32          1HD       LYS  32  -3.485   4.085  -4.017
  342   1HE   LYS  32          2HE       LYS  32  -6.035   4.481  -2.681
  343   2HE   LYS  32          1HE       LYS  32  -5.612   5.903  -3.655
  344   1HZ   LYS  32          2HZ       LYS  32  -5.330   3.119  -4.641
  345   2HZ   LYS  32          1HZ       LYS  32  -6.720   4.057  -4.914
  346   3HZ   LYS  32          3HZ       LYS  32  -5.226   4.555  -5.544
  347    QB   LYS  32           QB       LYS  32  -4.772   4.824  -0.558
  348    QG   LYS  32           QG       LYS  32  -3.593   3.202  -1.885
  349    QD   LYS  32           QD       LYS  32  -3.462   4.828  -3.544
  350    QE   LYS  32           QE       LYS  32  -5.823   5.192  -3.168
  351    QZ   LYS  32           QZ       LYS  32  -5.759   3.910  -5.033
  352    H    GLN  33           H        GLN  33  -2.901   5.084   2.721
  353    HA   GLN  33           HA       GLN  33  -3.870   7.948   2.798
  354   1HB   GLN  33          2HB       GLN  33  -5.282   6.139   3.869
  355   2HB   GLN  33          1HB       GLN  33  -3.921   5.770   4.930
  356   1HG   GLN  33          2HG       GLN  33  -4.087   7.804   6.072
  357   2HG   GLN  33          1HG       GLN  33  -4.946   8.590   4.746
  358   1HE2  GLN  33          2HE2      GLN  33  -7.071   6.839   7.663
  359   2HE2  GLN  33          1HE2      GLN  33  -5.400   7.113   7.773
  360    QB   GLN  33           QB       GLN  33  -4.601   5.955   4.399
  361    QG   GLN  33           QG       GLN  33  -4.517   8.197   5.409
  362    QE2  GLN  33           QE2      GLN  33  -6.235   6.976   7.718
  363    H    TYR  34           H        TYR  34  -1.805   5.513   4.179
  364    HA   TYR  34           HA       TYR  34  -0.043   6.957   5.833
  365   1HB   TYR  34          2HB       TYR  34  -0.171   4.578   5.754
  366   2HB   TYR  34          1HB       TYR  34   0.013   4.554   3.998
  367    HD1  TYR  34          1HD       TYR  34   1.951   6.171   6.799
  368    HD2  TYR  34          2HD       TYR  34   2.036   3.490   3.445
  369    HE1  TYR  34          1HE       TYR  34   4.391   5.858   7.114
  370    HE2  TYR  34          2HE       TYR  34   4.476   3.176   3.758
  371    HH   TYR  34           HH       TYR  34   6.397   5.083   5.259
  372    QB   TYR  34           QB       TYR  34  -0.079   4.566   4.876
  373    QG   TYR  34           QD       TYR  34   1.994   4.831   5.122
  374    QZ   TYR  34           QE       TYR  34   4.433   4.517   5.436
  375    QR   TYR  34           QR       TYR  34   3.214   4.674   5.279
  376    H    ALA  35           H        ALA  35  -0.023   6.416   2.313
  377    HA   ALA  35           HA       ALA  35   2.515   7.635   1.671
  378   1HB   ALA  35          2HB       ALA  35  -0.013   6.818   0.314
  379   2HB   ALA  35          1HB       ALA  35   0.999   7.984  -0.543
  380   3HB   ALA  35          3HB       ALA  35   1.658   6.412  -0.084
  381    QB   ALA  35           QB       ALA  35   0.882   7.071  -0.104
  382    H    ASN  36           H        ASN  36  -0.820   8.943   1.395
  383    HA   ASN  36           HA       ASN  36  -0.153  11.595   0.659
  384   1HB   ASN  36          2HB       ASN  36  -2.432  10.255   2.084
  385   2HB   ASN  36          1HB       ASN  36  -2.428  12.008   1.893
  386   1HD2  ASN  36          2HD2      ASN  36  -2.860   9.638  -1.431
  387   2HD2  ASN  36          1HD2      ASN  36  -2.255   8.963   0.003
  388    QB   ASN  36           QB       ASN  36  -2.430  11.132   1.989
  389    QD2  ASN  36           QD2      ASN  36  -2.557   9.301  -0.714
  390    H    ASP  37           H        ASP  37  -0.742  10.280   3.935
  391    HA   ASP  37           HA       ASP  37  -0.331  12.654   5.418
  392   1HB   ASP  37          2HB       ASP  37  -1.171  10.344   6.133
  393   2HB   ASP  37          1HB       ASP  37   0.527   9.878   6.254
  394    QB   ASP  37           QB       ASP  37  -0.322  10.111   6.194
  395    H    ASN  38           H        ASN  38   1.979  10.654   3.795
  396    HA   ASN  38           HA       ASN  38   4.242  11.942   5.177
  397   1HB   ASN  38          2HB       ASN  38   4.069   9.450   4.951
  398   2HB   ASN  38          1HB       ASN  38   4.170   9.650   3.202
  399   1HD2  ASN  38          2HD2      ASN  38   7.522  10.312   5.485
  400   2HD2  ASN  38          1HD2      ASN  38   5.993  10.339   6.221
  401    QB   ASN  38           QB       ASN  38   4.119   9.550   4.076
  402    QD2  ASN  38           QD2      ASN  38   6.758  10.326   5.853
  403    H    GLY  39           H        GLY  39   2.641  11.677   2.066
  404   1HA   GLY  39          2HA       GLY  39   2.853  13.661   0.562
  405   2HA   GLY  39          1HA       GLY  39   4.571  13.676   0.957
  406    QA   GLY  39           QA       GLY  39   3.712  13.669   0.760
  407    H    ILE  40           H        ILE  40   2.717  10.737   0.307
  408    HA   ILE  40           HA       ILE  40   4.467  10.261  -2.068
  409    HB   ILE  40           HB       ILE  40   3.241   8.647   0.117
  410   1HG1  ILE  40          2HG1      ILE  40   5.471   7.469  -0.215
  411   2HG1  ILE  40          1HG1      ILE  40   5.840   8.730  -1.392
  412   1HG2  ILE  40          3HG2      ILE  40   2.310   7.596  -1.977
  413   2HG2  ILE  40          2HG2      ILE  40   3.970   7.340  -2.513
  414   3HG2  ILE  40          1HG2      ILE  40   3.380   6.549  -1.049
  415   1HD1  ILE  40          3HD1      ILE  40   4.812   9.453   1.329
  416   2HD1  ILE  40          2HD1      ILE  40   6.534   9.113   1.091
  417   3HD1  ILE  40          1HD1      ILE  40   5.753  10.432   0.197
  418    QG1  ILE  40           QG1      ILE  40   5.656   8.099  -0.803
  419    QG2  ILE  40           QG2      ILE  40   3.220   7.161  -1.847
  420    QD1  ILE  40           QD1      ILE  40   5.700   9.666   0.872
  421    H    ASP  41           H        ASP  41   3.482  10.720  -3.929
  422    HA   ASP  41           HA       ASP  41   0.742   9.713  -4.461
  423   1HB   ASP  41          2HB       ASP  41   0.670  12.006  -3.336
  424   2HB   ASP  41          1HB       ASP  41   1.412  12.643  -4.803
  425    QB   ASP  41           QB       ASP  41   1.041  12.324  -4.069
  426    H    GLY  42           H        GLY  42   1.330   8.547  -6.286
  427   1HA   GLY  42          2HA       GLY  42   2.107  10.077  -8.671
  428   2HA   GLY  42          1HA       GLY  42   3.263   8.844  -8.177
  429    QA   GLY  42           QA       GLY  42   2.685   9.460  -8.424
  430    H    GLU  43           H        GLU  43   2.754   6.658  -8.530
  431    HA   GLU  43           HA       GLU  43   0.137   6.118  -9.920
  432   1HB   GLU  43          2HB       GLU  43   2.509   6.216 -11.134
  433   2HB   GLU  43          1HB       GLU  43   2.628   4.569 -10.511
  434   1HG   GLU  43          2HG       GLU  43   1.578   4.144 -12.527
  435   2HG   GLU  43          1HG       GLU  43   0.164   4.390 -11.501
  436    QB   GLU  43           QB       GLU  43   2.568   5.393 -10.823
  437    QG   GLU  43           QG       GLU  43   0.871   4.267 -12.014
  438    H    TRP  44           H        TRP  44  -1.058   4.528  -8.932
  439    HA   TRP  44           HA       TRP  44   0.265   2.726  -6.916
  440   1HB   TRP  44          2HB       TRP  44  -2.487   3.868  -7.375
  441   2HB   TRP  44          1HB       TRP  44  -2.288   2.410  -6.396
  442    HD1  TRP  44           HD       TRP  44  -1.418   6.127  -6.443
  443    HE1  TRP  44          1HE       TRP  44  -0.652   6.804  -4.074
  444    HE3  TRP  44          3HE       TRP  44  -1.277   1.533  -4.249
  445    HZ2  TRP  44          2HZ       TRP  44  -0.048   5.546  -1.573
  446    HZ3  TRP  44          3HZ       TRP  44  -0.598   1.299  -1.869
  447    HH2  TRP  44           HH       TRP  44   0.022   3.297  -0.541
  448    QB   TRP  44           QB       TRP  44  -2.388   3.139  -6.886
  449    H    THR  45           H        THR  45   0.256   0.541  -7.231
  450    HA   THR  45           HA       THR  45  -1.569  -0.675  -9.239
  451    HB   THR  45           HB       THR  45   0.200  -1.652 -10.504
  452    HG1  THR  45          1HG       THR  45   2.277  -1.711  -9.809
  453   1HG2  THR  45          1HG2      THR  45  -0.138   0.774 -10.947
  454   2HG2  THR  45          3HG2      THR  45   1.163   1.130  -9.811
  455   3HG2  THR  45          2HG2      THR  45   1.507   0.243 -11.298
  456    QG2  THR  45           QG2      THR  45   0.844   0.715 -10.685
  457    H    TYR  46           H        TYR  46  -2.286  -2.605  -8.459
  458    HA   TYR  46           HA       TYR  46  -1.004  -3.667  -5.987
  459   1HB   TYR  46          2HB       TYR  46  -3.368  -3.195  -5.850
  460   2HB   TYR  46          1HB       TYR  46  -3.689  -4.088  -7.338
  461    HD1  TYR  46          1HD       TYR  46  -1.797  -4.761  -4.160
  462    HD2  TYR  46          2HD       TYR  46  -4.732  -6.143  -6.973
  463    HE1  TYR  46          1HE       TYR  46  -2.053  -6.857  -2.862
  464    HE2  TYR  46          2HE       TYR  46  -4.990  -8.240  -5.672
  465    HH   TYR  46           HH       TYR  46  -3.199  -9.542  -3.913
  466    QB   TYR  46           QB       TYR  46  -3.528  -3.641  -6.594
  467    QG   TYR  46           QD       TYR  46  -3.265  -5.452  -5.567
  468    QZ   TYR  46           QE       TYR  46  -3.522  -7.548  -4.267
  469    QR   TYR  46           QR       TYR  46  -3.393  -6.500  -4.917
  470    H    ASP  47           H        ASP  47  -0.229  -5.796  -5.892
  471    HA   ASP  47           HA       ASP  47  -0.028  -7.248  -8.509
  472   1HB   ASP  47          2HB       ASP  47   1.807  -7.155  -6.089
  473   2HB   ASP  47          1HB       ASP  47   2.094  -8.131  -7.530
  474    QB   ASP  47           QB       ASP  47   1.951  -7.643  -6.809
  475    H    ASP  48           H        ASP  48  -1.798  -8.650  -8.290
  476    HA   ASP  48           HA       ASP  48  -2.526  -9.983  -5.834
  477   1HB   ASP  48          2HB       ASP  48  -4.003  -9.481  -7.796
  478   2HB   ASP  48          1HB       ASP  48  -3.137 -10.714  -8.713
  479    QB   ASP  48           QB       ASP  48  -3.570 -10.098  -8.254
  480    H    ALA  49           H        ALA  49   0.110 -10.524  -7.889
  481    HA   ALA  49           HA       ALA  49   0.198 -13.455  -7.500
  482   1HB   ALA  49          3HB       ALA  49   1.467 -11.376  -9.184
  483   2HB   ALA  49          2HB       ALA  49   2.535 -12.697  -8.712
  484   3HB   ALA  49          1HB       ALA  49   1.043 -13.039  -9.587
  485    QB   ALA  49           QB       ALA  49   1.682 -12.371  -9.161
  486    H    THR  50           H        THR  50   1.585 -10.481  -6.238
  487    HA   THR  50           HA       THR  50   3.269 -12.108  -4.363
  488    HB   THR  50           HB       THR  50   4.821 -10.157  -4.444
  489    HG1  THR  50          1HG       THR  50   4.374  -8.648  -6.174
  490   1HG2  THR  50          1HG2      THR  50   4.796 -12.163  -6.118
  491   2HG2  THR  50          3HG2      THR  50   4.257 -10.955  -7.285
  492   3HG2  THR  50          2HG2      THR  50   5.812 -10.765  -6.473
  493    QG2  THR  50           QG2      THR  50   4.955 -11.294  -6.625
  494    H    LYS  51           H        LYS  51   0.478 -10.346  -4.511
  495    HA   LYS  51           HA       LYS  51  -0.784  -9.126  -2.935
  496   1HB   LYS  51          2HB       LYS  51   1.215 -10.494  -1.098
  497   2HB   LYS  51          1HB       LYS  51  -0.321  -9.796  -0.590
  498   1HG   LYS  51          2HG       LYS  51  -0.501 -11.714  -2.840
  499   2HG   LYS  51          1HG       LYS  51  -0.007 -12.412  -1.297
  500   1HD   LYS  51          2HD       LYS  51  -2.005 -11.000  -0.336
  501   2HD   LYS  51          1HD       LYS  51  -2.571 -11.018  -2.007
  502   1HE   LYS  51          2HE       LYS  51  -1.670 -13.630  -0.873
  503   2HE   LYS  51          1HE       LYS  51  -3.218 -12.984  -0.293
  504   1HZ   LYS  51          2HZ       LYS  51  -3.876 -12.612  -2.599
  505   2HZ   LYS  51          1HZ       LYS  51  -2.416 -13.290  -3.139
  506   3HZ   LYS  51          3HZ       LYS  51  -3.546 -14.254  -2.321
  507    QB   LYS  51           QB       LYS  51   0.447 -10.145  -0.844
  508    QG   LYS  51           QG       LYS  51  -0.254 -12.063  -2.069
  509    QD   LYS  51           QD       LYS  51  -2.288 -11.009  -1.172
  510    QE   LYS  51           QE       LYS  51  -2.444 -13.307  -0.583
  511    QZ   LYS  51           QZ       LYS  51  -3.279 -13.385  -2.686
  512    H    THR  52           H        THR  52   1.416  -7.744  -4.202
  513    HA   THR  52           HA       THR  52   2.169  -5.841  -1.995
  514    HB   THR  52           HB       THR  52   3.830  -6.455  -4.444
  515    HG1  THR  52          1HG       THR  52   3.853  -7.716  -1.905
  516   1HG2  THR  52          3HG2      THR  52   4.167  -4.994  -1.864
  517   2HG2  THR  52          2HG2      THR  52   5.573  -5.837  -2.515
  518   3HG2  THR  52          1HG2      THR  52   4.772  -4.590  -3.471
  519    QG2  THR  52           QG2      THR  52   4.837  -5.140  -2.617
  520    H    PHE  53           H        PHE  53   1.982  -3.649  -2.492
  521    HA   PHE  53           HA       PHE  53   0.568  -2.981  -5.022
  522   1HB   PHE  53          2HB       PHE  53   1.001  -1.612  -2.357
  523   2HB   PHE  53          1HB       PHE  53   0.177  -0.824  -3.703
  524    HD1  PHE  53          2HD       PHE  53   0.058  -3.705  -1.358
  525    HD2  PHE  53          1HD       PHE  53  -2.087  -1.405  -4.296
  526    HE1  PHE  53          2HE       PHE  53  -2.050  -4.868  -0.733
  527    HE2  PHE  53          1HE       PHE  53  -4.180  -2.577  -3.671
  528   1HZ   PHE  53           HZ       PHE  53  -4.162  -4.304  -1.895
  529    QB   PHE  53           QB       PHE  53   0.589  -1.218  -3.030
  530    QG   PHE  53           QD       PHE  53  -1.014  -2.555  -2.827
  531    QZ   PHE  53           QE       PHE  53  -3.115  -3.723  -2.202
  532    QZ   PHE  53           QR       PHE  53  -2.484  -3.372  -2.390
  533    H    THR  54           H        THR  54   1.311  -0.355  -5.509
  534    HA   THR  54           HA       THR  54   4.233  -0.049  -5.310
  535    HB   THR  54           HB       THR  54   3.154  -0.044  -8.099
  536    HG1  THR  54          1HG       THR  54   3.895  -2.430  -6.760
  537   1HG2  THR  54          3HG2      THR  54   5.737  -0.537  -6.680
  538   2HG2  THR  54          2HG2      THR  54   5.503  -1.256  -8.274
  539   3HG2  THR  54          1HG2      THR  54   5.400   0.492  -8.072
  540    QG2  THR  54           QG2      THR  54   5.547  -0.434  -7.675
  541    H    VAL  55           H        VAL  55   3.854   1.973  -4.428
  542    HA   VAL  55           HA       VAL  55   2.083   3.834  -5.930
  543    HB   VAL  55           HB       VAL  55   1.491   3.598  -3.628
  544   1HG1  VAL  55          2HG1      VAL  55   4.423   4.073  -3.030
  545   2HG1  VAL  55          1HG1      VAL  55   3.153   4.138  -1.809
  546   3HG1  VAL  55          3HG1      VAL  55   3.458   2.632  -2.673
  547   1HG2  VAL  55          1HG2      VAL  55   1.493   5.925  -4.516
  548   2HG2  VAL  55          3HG2      VAL  55   1.755   5.868  -2.773
  549   3HG2  VAL  55          2HG2      VAL  55   3.114   6.147  -3.862
  550    QG1  VAL  55           QG1      VAL  55   3.678   3.614  -2.504
  551    QG2  VAL  55           QG2      VAL  55   2.121   5.980  -3.717
  552    QQG  VAL  55           QQG      VAL  55   2.899   4.797  -3.110
  553    H    THR  56           H        THR  56   3.359   4.607  -7.569
  554    HA   THR  56           HA       THR  56   6.101   5.513  -7.184
  555    HB   THR  56           HB       THR  56   4.015   5.347  -9.313
  556    HG1  THR  56          1HG       THR  56   5.574   4.239 -10.276
  557   1HG2  THR  56          3HG2      THR  56   6.321   7.307  -9.532
  558   2HG2  THR  56          2HG2      THR  56   5.328   6.765 -10.885
  559   3HG2  THR  56          1HG2      THR  56   4.602   7.701  -9.576
  560    QG2  THR  56           QG2      THR  56   5.417   7.258  -9.998
  561    H    GLU  57           H        GLU  57   6.593   7.931  -7.671
  562    HA   GLU  57           HA       GLU  57   4.474   9.713  -6.518
  563   1HB   GLU  57          2HB       GLU  57   6.174   8.937  -4.838
  564   2HB   GLU  57          1HB       GLU  57   7.431   9.684  -5.824
  565   1HG   GLU  57          2HG       GLU  57   5.094  11.384  -5.099
  566   2HG   GLU  57          1HG       GLU  57   6.236  10.997  -3.812
  567    QB   GLU  57           QB       GLU  57   6.802   9.311  -5.331
  568    QG   GLU  57           QG       GLU  57   5.665  11.191  -4.456
   
  No H/Q in entry =         568
  Start of MODEL   32
    1   1H    MET   1          2HT       MET   1  -3.060 -14.374   7.618
    2   2H    MET   1          1HT       MET   1  -2.859 -15.674   6.544
    3   3H    MET   1          3HT       MET   1  -2.150 -15.732   8.084
    4    HA   MET   1           HA       MET   1  -0.639 -13.954   7.530
    5   1HB   MET   1          2HB       MET   1  -0.234 -16.387   6.976
    6   2HB   MET   1          1HB       MET   1  -0.797 -16.046   5.339
    7   1HG   MET   1          2HG       MET   1   1.477 -15.721   5.049
    8   2HG   MET   1          1HG       MET   1   0.992 -14.087   5.500
    9   1HE   MET   1          2HE       MET   1   3.443 -14.098   5.591
   10   2HE   MET   1          1HE       MET   1   4.288 -14.121   7.137
   11   3HE   MET   1          3HE       MET   1   4.217 -15.582   6.141
   12    QB   MET   1           QB       MET   1  -0.515 -16.216   6.157
   13    QG   MET   1           QG       MET   1   1.234 -14.904   5.275
   14    QE   MET   1           QE       MET   1   3.983 -14.600   6.290
   15    H    THR   2           H        THR   2  -2.104 -12.099   6.904
   16    HA   THR   2           HA       THR   2  -2.274 -11.762   3.925
   17    HB   THR   2           HB       THR   2  -3.907 -10.414   6.097
   18    HG1  THR   2          1HG       THR   2  -5.247 -12.052   6.005
   19   1HG2  THR   2          2HG2      THR   2  -3.895 -10.439   3.113
   20   2HG2  THR   2          1HG2      THR   2  -5.459 -10.377   3.923
   21   3HG2  THR   2          3HG2      THR   2  -4.262  -9.119   4.223
   22    QG2  THR   2           QG2      THR   2  -4.539  -9.978   3.753
   23    H    THR   3           H        THR   3   0.066 -11.143   5.642
   24    HA   THR   3           HA       THR   3   0.200  -8.323   6.226
   25    HB   THR   3           HB       THR   3   2.452 -10.218   5.493
   26    HG1  THR   3          1HG       THR   3   1.562 -11.310   7.078
   27   1HG2  THR   3          3HG2      THR   3   2.596  -7.574   6.031
   28   2HG2  THR   3          2HG2      THR   3   2.651  -8.212   7.675
   29   3HG2  THR   3          1HG2      THR   3   3.860  -8.715   6.492
   30    QG2  THR   3           QG2      THR   3   3.036  -8.167   6.732
   31    H    PHE   4           H        PHE   4  -0.598  -7.209   4.349
   32    HA   PHE   4           HA       PHE   4   0.492  -7.615   1.690
   33   1HB   PHE   4          2HB       PHE   4  -1.205  -5.561   3.100
   34   2HB   PHE   4          1HB       PHE   4  -0.659  -5.277   1.447
   35    HD1  PHE   4          1HD       PHE   4  -0.992  -7.311  -0.210
   36    HD2  PHE   4          2HD       PHE   4  -3.188  -6.745   3.435
   37    HE1  PHE   4          1HE       PHE   4  -2.783  -8.796  -1.061
   38    HE2  PHE   4          2HE       PHE   4  -4.978  -8.231   2.583
   39   1HZ   PHE   4           HZ       PHE   4  -4.777  -9.258   0.335
   40    QB   PHE   4           QB       PHE   4  -0.932  -5.419   2.273
   41    QG   PHE   4           QD       PHE   4  -2.090  -7.028   1.612
   42    QZ   PHE   4           QE       PHE   4  -3.880  -8.513   0.761
   43    QZ   PHE   4           QR       PHE   4  -3.344  -8.068   1.016
   44    H    LYS   5           H        LYS   5   2.069  -6.362   0.619
   45    HA   LYS   5           HA       LYS   5   3.816  -4.705   2.402
   46   1HB   LYS   5          2HB       LYS   5   4.195  -6.605   0.128
   47   2HB   LYS   5          1HB       LYS   5   5.334  -5.262   0.240
   48   1HG   LYS   5          2HG       LYS   5   5.996  -5.896   2.457
   49   2HG   LYS   5          1HG       LYS   5   4.685  -7.069   2.581
   50   1HD   LYS   5          2HD       LYS   5   6.622  -7.367   0.324
   51   2HD   LYS   5          1HD       LYS   5   7.157  -7.829   1.940
   52   1HE   LYS   5          2HE       LYS   5   5.548  -9.530   2.130
   53   2HE   LYS   5          1HE       LYS   5   4.503  -8.808   0.890
   54   1HZ   LYS   5          2HZ       LYS   5   6.294  -9.194  -0.733
   55   2HZ   LYS   5          1HZ       LYS   5   7.187 -10.010   0.460
   56   3HZ   LYS   5          3HZ       LYS   5   5.705 -10.643  -0.070
   57    QB   LYS   5           QB       LYS   5   4.764  -5.934   0.184
   58    QG   LYS   5           QG       LYS   5   5.341  -6.482   2.519
   59    QD   LYS   5           QD       LYS   5   6.890  -7.598   1.132
   60    QE   LYS   5           QE       LYS   5   5.026  -9.169   1.510
   61    QZ   LYS   5           QZ       LYS   5   6.395  -9.949  -0.114
   62    H    LEU   6           H        LEU   6   5.151  -3.093   0.799
   63    HA   LEU   6           HA       LEU   6   3.503  -1.946  -1.352
   64   1HB   LEU   6          2HB       LEU   6   2.422  -1.150   0.713
   65   2HB   LEU   6          1HB       LEU   6   3.963  -0.516   1.288
   66    HG   LEU   6           HG       LEU   6   3.901   0.749  -1.063
   67   1HD1  LEU   6          1HD1      LEU   6   1.139  -0.225  -0.589
   68   2HD1  LEU   6          3HD1      LEU   6   1.296   1.462  -1.071
   69   3HD1  LEU   6          2HD1      LEU   6   1.945   0.190  -2.102
   70   1HD2  LEU   6          3HD2      LEU   6   3.598   1.478   1.551
   71   2HD2  LEU   6          2HD2      LEU   6   3.550   2.617   0.206
   72   3HD2  LEU   6          1HD2      LEU   6   2.048   1.994   0.886
   73    QB   LEU   6           QB       LEU   6   3.193  -0.833   1.000
   74    QD1  LEU   6           QD1      LEU   6   1.460   0.475  -1.254
   75    QD2  LEU   6           QD2      LEU   6   3.065   2.030   0.881
   76    QQD  LEU   6           QQD      LEU   6   2.263   1.252  -0.187
   77    H    ILE   7           H        ILE   7   5.283  -1.923  -2.741
   78    HA   ILE   7           HA       ILE   7   7.871  -0.799  -1.829
   79    HB   ILE   7           HB       ILE   7   6.862  -1.996  -4.438
   80   1HG1  ILE   7          2HG1      ILE   7   8.921  -3.273  -2.689
   81   2HG1  ILE   7          1HG1      ILE   7   7.241  -3.331  -2.151
   82   1HG2  ILE   7          2HG2      ILE   7   9.457  -0.751  -3.647
   83   2HG2  ILE   7          1HG2      ILE   7   9.534  -2.227  -4.613
   84   3HG2  ILE   7          3HG2      ILE   7   8.672  -0.815  -5.228
   85   1HD1  ILE   7          3HD1      ILE   7   6.886  -4.029  -4.726
   86   2HD1  ILE   7          2HD1      ILE   7   8.527  -4.632  -4.499
   87   3HD1  ILE   7          1HD1      ILE   7   7.222  -5.214  -3.466
   88    QG1  ILE   7           QG1      ILE   7   8.081  -3.302  -2.420
   89    QG2  ILE   7           QG2      ILE   7   9.221  -1.264  -4.496
   90    QD1  ILE   7           QD1      ILE   7   7.545  -4.625  -4.230
   91    H    ILE   8           H        ILE   8   8.068   1.426  -1.924
   92    HA   ILE   8           HA       ILE   8   6.323   2.913  -3.778
   93    HB   ILE   8           HB       ILE   8   8.314   3.856  -1.687
   94   1HG1  ILE   8          2HG1      ILE   8   6.223   4.550  -0.461
   95   2HG1  ILE   8          1HG1      ILE   8   5.280   3.721  -1.680
   96   1HG2  ILE   8          2HG2      ILE   8   7.832   5.447  -3.625
   97   2HG2  ILE   8          1HG2      ILE   8   6.146   5.460  -3.083
   98   3HG2  ILE   8          3HG2      ILE   8   7.427   6.070  -2.026
   99   1HD1  ILE   8          1HD1      ILE   8   7.430   2.236  -0.218
  100   2HD1  ILE   8          3HD1      ILE   8   5.858   2.485   0.547
  101   3HD1  ILE   8          2HD1      ILE   8   5.968   1.617  -0.988
  102    QG1  ILE   8           QG1      ILE   8   5.751   4.136  -1.071
  103    QG2  ILE   8           QG2      ILE   8   7.135   5.659  -2.912
  104    QD1  ILE   8           QD1      ILE   8   6.418   2.113  -0.220
  105    H    ASN   9           H        ASN   9   7.116   3.361  -5.834
  106    HA   ASN   9           HA       ASN   9   9.896   2.879  -6.496
  107   1HB   ASN   9          2HB       ASN   9   7.872   4.338  -8.203
  108   2HB   ASN   9          1HB       ASN   9   9.206   3.329  -8.743
  109   1HD2  ASN   9          2HD2      ASN   9   5.731   1.577  -8.636
  110   2HD2  ASN   9          1HD2      ASN   9   6.070   3.202  -9.009
  111    QB   ASN   9           QB       ASN   9   8.539   3.833  -8.473
  112    QD2  ASN   9           QD2      ASN   9   5.901   2.390  -8.822
  113    H    GLY  10           H        GLY  10   7.961   5.687  -5.811
  114   1HA   GLY  10          2HA       GLY  10   9.765   7.682  -6.809
  115   2HA   GLY  10          1HA       GLY  10   8.509   7.963  -5.602
  116    QA   GLY  10           QA       GLY  10   9.137   7.823  -6.205
  117    H    LYS  11           H        LYS  11  11.087   9.148  -5.466
  118    HA   LYS  11           HA       LYS  11  12.636   7.634  -3.453
  119   1HB   LYS  11          2HB       LYS  11  14.183   9.553  -3.709
  120   2HB   LYS  11          1HB       LYS  11  13.733   8.880  -5.274
  121   1HG   LYS  11          2HG       LYS  11  11.797  10.884  -4.569
  122   2HG   LYS  11          1HG       LYS  11  13.407  11.569  -4.352
  123   1HD   LYS  11          2HD       LYS  11  14.010  10.799  -6.645
  124   2HD   LYS  11          1HD       LYS  11  12.356  10.222  -6.858
  125   1HE   LYS  11          2HE       LYS  11  12.285  12.380  -7.823
  126   2HE   LYS  11          1HE       LYS  11  11.696  12.678  -6.176
  127   1HZ   LYS  11          2HZ       LYS  11  14.041  13.071  -5.522
  128   2HZ   LYS  11          1HZ       LYS  11  14.481  12.990  -7.161
  129   3HZ   LYS  11          3HZ       LYS  11  13.449  14.223  -6.621
  130    QB   LYS  11           QB       LYS  11  13.958   9.216  -4.491
  131    QG   LYS  11           QG       LYS  11  12.602  11.226  -4.461
  132    QD   LYS  11           QD       LYS  11  13.183  10.511  -6.751
  133    QE   LYS  11           QE       LYS  11  11.991  12.529  -7.000
  134    QZ   LYS  11           QZ       LYS  11  13.990  13.428  -6.435
  135    H    THR  12           H        THR  12   9.820   9.131  -3.091
  136    HA   THR  12           HA       THR  12  10.198  11.191  -1.150
  137    HB   THR  12           HB       THR  12   7.802  10.388  -0.532
  138    HG1  THR  12          1HG       THR  12   7.579   8.424  -1.294
  139   1HG2  THR  12          3HG2      THR  12   8.619  11.273  -3.306
  140   2HG2  THR  12          2HG2      THR  12   6.946  11.255  -2.749
  141   3HG2  THR  12          1HG2      THR  12   8.130  12.295  -1.957
  142    QG2  THR  12           QG2      THR  12   7.898  11.608  -2.671
  143    H    LEU  13           H        LEU  13   9.367   7.776  -0.697
  144    HA   LEU  13           HA       LEU  13  10.707   7.880   1.975
  145   1HB   LEU  13          2HB       LEU  13   8.814   6.579   2.862
  146   2HB   LEU  13          1HB       LEU  13   8.232   8.071   2.119
  147    HG   LEU  13           HG       LEU  13   7.968   6.624  -0.021
  148   1HD1  LEU  13          2HD1      LEU  13   8.812   4.645   1.925
  149   2HD1  LEU  13          1HD1      LEU  13   7.179   4.269   1.381
  150   3HD1  LEU  13          3HD1      LEU  13   8.485   4.425   0.208
  151   1HD2  LEU  13          3HD2      LEU  13   6.174   7.632   1.486
  152   2HD2  LEU  13          2HD2      LEU  13   5.685   6.192   0.593
  153   3HD2  LEU  13          1HD2      LEU  13   6.100   6.070   2.302
  154    QB   LEU  13           QB       LEU  13   8.523   7.325   2.491
  155    QD1  LEU  13           QD1      LEU  13   8.159   4.446   1.171
  156    QD2  LEU  13           QD2      LEU  13   5.986   6.631   1.461
  157    QQD  LEU  13           QQD      LEU  13   7.072   5.539   1.316
  158    H    LYS  14           H        LYS  14   9.882   5.999  -0.888
  159    HA   LYS  14           HA       LYS  14  10.476   3.835  -1.601
  160   1HB   LYS  14          2HB       LYS  14  13.008   3.691  -1.666
  161   2HB   LYS  14          1HB       LYS  14  12.314   5.163  -2.331
  162   1HG   LYS  14          2HG       LYS  14  12.872   6.411  -0.343
  163   2HG   LYS  14          1HG       LYS  14  13.357   4.945   0.506
  164   1HD   LYS  14          2HD       LYS  14  14.687   5.796  -2.065
  165   2HD   LYS  14          1HD       LYS  14  15.241   6.381  -0.496
  166   1HE   LYS  14          2HE       LYS  14  15.278   3.864   0.186
  167   2HE   LYS  14          1HE       LYS  14  15.262   3.559  -1.564
  168   1HZ   LYS  14          3HZ       LYS  14  17.115   5.144  -1.777
  169   2HZ   LYS  14          2HZ       LYS  14  17.180   5.283  -0.084
  170   3HZ   LYS  14          1HZ       LYS  14  17.529   3.798  -0.831
  171    QB   LYS  14           QB       LYS  14  12.661   4.427  -1.999
  172    QG   LYS  14           QG       LYS  14  13.115   5.678   0.081
  173    QD   LYS  14           QD       LYS  14  14.964   6.088  -1.281
  174    QE   LYS  14           QE       LYS  14  15.270   3.711  -0.689
  175    QZ   LYS  14           QZ       LYS  14  17.275   4.742  -0.897
  176    H    GLY  15           H        GLY  15   9.640   2.181  -0.373
  177   1HA   GLY  15          2HA       GLY  15  11.415   0.627   1.242
  178   2HA   GLY  15          1HA       GLY  15  10.331   1.532   2.299
  179    QA   GLY  15           QA       GLY  15  10.873   1.079   1.770
  180    H    GLU  16           H        GLU  16   9.960  -1.004   2.628
  181    HA   GLU  16           HA       GLU  16   7.543  -1.740   1.006
  182   1HB   GLU  16          2HB       GLU  16  10.057  -3.187   1.679
  183   2HB   GLU  16          1HB       GLU  16   8.569  -4.132   1.744
  184   1HG   GLU  16          2HG       GLU  16   8.193  -3.956  -0.516
  185   2HG   GLU  16          1HG       GLU  16   8.945  -2.365  -0.625
  186    QB   GLU  16           QB       GLU  16   9.313  -3.660   1.711
  187    QG   GLU  16           QG       GLU  16   8.569  -3.161  -0.570
  188    H    ILE  17           H        ILE  17   6.596  -0.520   2.982
  189    HA   ILE  17           HA       ILE  17   6.755  -1.628   5.630
  190    HB   ILE  17           HB       ILE  17   4.576  -0.027   4.241
  191   1HG1  ILE  17          2HG1      ILE  17   6.781   1.074   4.137
  192   2HG1  ILE  17          1HG1      ILE  17   5.716   1.930   5.245
  193   1HG2  ILE  17          3HG2      ILE  17   5.129  -0.690   7.131
  194   2HG2  ILE  17          2HG2      ILE  17   4.253   0.776   6.689
  195   3HG2  ILE  17          1HG2      ILE  17   3.609  -0.805   6.245
  196   1HD1  ILE  17          1HD1      ILE  17   6.936   0.075   6.897
  197   2HD1  ILE  17          3HD1      ILE  17   8.234   0.524   5.791
  198   3HD1  ILE  17          2HD1      ILE  17   7.413   1.765   6.738
  199    QG1  ILE  17           QG1      ILE  17   6.249   1.502   4.691
  200    QG2  ILE  17           QG2      ILE  17   4.330  -0.239   6.688
  201    QD1  ILE  17           QD1      ILE  17   7.528   0.788   6.476
  202    H    THR  18           H        THR  18   6.156  -3.711   6.060
  203    HA   THR  18           HA       THR  18   4.022  -5.044   4.507
  204    HB   THR  18           HB       THR  18   4.767  -7.014   5.762
  205    HG1  THR  18          1HG       THR  18   6.510  -5.299   7.180
  206   1HG2  THR  18          1HG2      THR  18   6.622  -5.272   4.315
  207   2HG2  THR  18          3HG2      THR  18   7.444  -6.363   5.431
  208   3HG2  THR  18          2HG2      THR  18   6.382  -7.013   4.183
  209    QG2  THR  18           QG2      THR  18   6.816  -6.216   4.643
  210    H    ILE  19           H        ILE  19   1.915  -4.961   5.185
  211    HA   ILE  19           HA       ILE  19   1.372  -4.800   8.126
  212    HB   ILE  19           HB       ILE  19  -0.286  -3.023   7.682
  213   1HG1  ILE  19          2HG1      ILE  19   0.251  -1.980   5.219
  214   2HG1  ILE  19          1HG1      ILE  19   0.414  -3.702   4.879
  215   1HG2  ILE  19          3HG2      ILE  19   2.036  -2.403   8.249
  216   2HG2  ILE  19          2HG2      ILE  19   2.455  -2.410   6.536
  217   3HG2  ILE  19          1HG2      ILE  19   1.310  -1.222   7.159
  218   1HD1  ILE  19          3HD1      ILE  19  -1.852  -3.761   6.345
  219   2HD1  ILE  19          2HD1      ILE  19  -2.000  -2.146   5.652
  220   3HD1  ILE  19          1HD1      ILE  19  -1.856  -3.549   4.594
  221    QG1  ILE  19           QG1      ILE  19   0.332  -2.841   5.049
  222    QG2  ILE  19           QG2      ILE  19   1.934  -2.012   7.315
  223    QD1  ILE  19           QD1      ILE  19  -1.903  -3.152   5.530
  224    H    GLU  20           H        GLU  20  -0.383  -6.021   8.768
  225    HA   GLU  20           HA       GLU  20  -1.640  -7.786   6.770
  226   1HB   GLU  20          2HB       GLU  20  -0.749  -8.136   9.285
  227   2HB   GLU  20          1HB       GLU  20  -2.427  -7.731   9.647
  228   1HG   GLU  20          2HG       GLU  20  -3.114  -9.482   7.953
  229   2HG   GLU  20          1HG       GLU  20  -1.423  -9.976   7.882
  230    QB   GLU  20           QB       GLU  20  -1.588  -7.933   9.466
  231    QG   GLU  20           QG       GLU  20  -2.269  -9.729   7.917
  232    H    ALA  21           H        ALA  21  -4.015  -7.996   6.661
  233    HA   ALA  21           HA       ALA  21  -5.756  -5.983   7.849
  234   1HB   ALA  21          2HB       ALA  21  -4.595  -5.692   5.098
  235   2HB   ALA  21          1HB       ALA  21  -6.249  -5.143   5.375
  236   3HB   ALA  21          3HB       ALA  21  -4.922  -4.449   6.306
  237    QB   ALA  21           QB       ALA  21  -5.255  -5.095   5.593
  238    H    VAL  22           H        VAL  22  -8.014  -6.187   6.871
  239    HA   VAL  22           HA       VAL  22  -8.951  -8.832   6.812
  240    HB   VAL  22           HB       VAL  22 -10.308  -6.810   7.205
  241   1HG1  VAL  22          1HG1      VAL  22  -9.070  -5.549   5.302
  242   2HG1  VAL  22          3HG1      VAL  22 -10.259  -6.292   4.232
  243   3HG1  VAL  22          2HG1      VAL  22 -10.789  -5.219   5.527
  244   1HG2  VAL  22          3HG2      VAL  22 -11.300  -8.995   6.270
  245   2HG2  VAL  22          2HG2      VAL  22 -12.286  -7.542   6.103
  246   3HG2  VAL  22          1HG2      VAL  22 -11.381  -8.157   4.719
  247    QG1  VAL  22           QG1      VAL  22 -10.039  -5.687   5.020
  248    QG2  VAL  22           QG2      VAL  22 -11.656  -8.231   5.697
  249    QQG  VAL  22           QQG      VAL  22 -10.847  -6.959   5.359
  250    H    ASP  23           H        ASP  23  -7.980  -6.743   4.125
  251    HA   ASP  23           HA       ASP  23  -7.435  -9.035   2.390
  252   1HB   ASP  23          2HB       ASP  23  -9.927  -7.405   2.248
  253   2HB   ASP  23          1HB       ASP  23  -9.145  -7.775   0.710
  254    QB   ASP  23           QB       ASP  23  -9.536  -7.590   1.479
  255    H    ALA  24           H        ALA  24  -6.795  -8.068   0.109
  256    HA   ALA  24           HA       ALA  24  -4.745  -6.121   0.493
  257   1HB   ALA  24          1HB       ALA  24  -5.287  -7.921  -1.387
  258   2HB   ALA  24          3HB       ALA  24  -6.045  -6.537  -2.178
  259   3HB   ALA  24          2HB       ALA  24  -4.329  -6.486  -1.765
  260    QB   ALA  24           QB       ALA  24  -5.220  -6.982  -1.777
  261    H    ALA  25           H        ALA  25  -8.141  -5.817  -0.415
  262    HA   ALA  25           HA       ALA  25  -8.234  -3.217  -1.483
  263   1HB   ALA  25          3HB       ALA  25 -10.036  -5.059  -0.004
  264   2HB   ALA  25          2HB       ALA  25 -10.534  -3.367  -0.052
  265   3HB   ALA  25          1HB       ALA  25 -10.283  -4.255  -1.555
  266    QB   ALA  25           QB       ALA  25 -10.284  -4.227  -0.537
  267    H    GLU  26           H        GLU  26  -8.477  -4.213   1.942
  268    HA   GLU  26           HA       GLU  26  -8.574  -1.537   3.022
  269   1HB   GLU  26          2HB       GLU  26  -8.298  -4.334   3.929
  270   2HB   GLU  26          1HB       GLU  26  -7.513  -3.163   4.987
  271   1HG   GLU  26          2HG       GLU  26  -9.856  -1.879   4.553
  272   2HG   GLU  26          1HG       GLU  26 -10.400  -3.550   4.405
  273    QB   GLU  26           QB       GLU  26  -7.906  -3.748   4.458
  274    QG   GLU  26           QG       GLU  26 -10.128  -2.715   4.479
  275    H    ALA  27           H        ALA  27  -5.935  -3.885   2.505
  276    HA   ALA  27           HA       ALA  27  -3.767  -2.457   3.637
  277   1HB   ALA  27          1HB       ALA  27  -4.215  -4.527   1.565
  278   2HB   ALA  27          3HB       ALA  27  -2.682  -3.661   1.426
  279   3HB   ALA  27          2HB       ALA  27  -3.081  -4.522   2.916
  280    QB   ALA  27           QB       ALA  27  -3.326  -4.237   1.969
  281    H    GLU  28           H        GLU  28  -5.140  -2.250   0.346
  282    HA   GLU  28           HA       GLU  28  -3.339  -0.340  -0.753
  283   1HB   GLU  28          2HB       GLU  28  -5.263  -1.756  -1.793
  284   2HB   GLU  28          1HB       GLU  28  -6.303  -0.411  -1.323
  285   1HG   GLU  28          2HG       GLU  28  -4.667   1.116  -2.543
  286   2HG   GLU  28          1HG       GLU  28  -3.937  -0.343  -3.214
  287    QB   GLU  28           QB       GLU  28  -5.783  -1.084  -1.558
  288    QG   GLU  28           QG       GLU  28  -4.302   0.387  -2.878
  289    H    LYS  29           H        LYS  29  -6.320   0.095   1.166
  290    HA   LYS  29           HA       LYS  29  -6.356   2.987   1.030
  291   1HB   LYS  29          2HB       LYS  29  -7.476   0.967   3.003
  292   2HB   LYS  29          1HB       LYS  29  -7.905   2.677   2.993
  293   1HG   LYS  29          2HG       LYS  29  -8.203   1.731   0.319
  294   2HG   LYS  29          1HG       LYS  29  -8.976   0.550   1.374
  295   1HD   LYS  29          2HD       LYS  29 -10.712   2.069   1.032
  296   2HD   LYS  29          1HD       LYS  29 -10.007   2.677   2.530
  297   1HE   LYS  29          2HE       LYS  29  -9.048   4.523   1.490
  298   2HE   LYS  29          1HE       LYS  29  -8.928   3.703  -0.080
  299   1HZ   LYS  29          2HZ       LYS  29 -11.488   4.427   1.244
  300   2HZ   LYS  29          1HZ       LYS  29 -10.759   5.343   0.014
  301   3HZ   LYS  29          3HZ       LYS  29 -11.299   3.768  -0.310
  302    QB   LYS  29           QB       LYS  29  -7.691   1.822   2.998
  303    QG   LYS  29           QG       LYS  29  -8.590   1.140   0.847
  304    QD   LYS  29           QD       LYS  29 -10.360   2.373   1.781
  305    QE   LYS  29           QE       LYS  29  -8.988   4.113   0.705
  306    QZ   LYS  29           QZ       LYS  29 -11.182   4.513   0.316
  307    H    ILE  30           H        ILE  30  -5.236   0.696   3.544
  308    HA   ILE  30           HA       ILE  30  -4.171   2.591   5.388
  309    HB   ILE  30           HB       ILE  30  -3.265  -0.228   4.679
  310   1HG1  ILE  30          2HG1      ILE  30  -5.011   0.463   7.017
  311   2HG1  ILE  30          1HG1      ILE  30  -5.746   0.364   5.418
  312   1HG2  ILE  30          3HG2      ILE  30  -1.908   1.506   6.275
  313   2HG2  ILE  30          2HG2      ILE  30  -3.032   0.822   7.448
  314   3HG2  ILE  30          1HG2      ILE  30  -1.945  -0.236   6.550
  315   1HD1  ILE  30          3HD1      ILE  30  -3.906  -1.856   6.115
  316   2HD1  ILE  30          2HD1      ILE  30  -5.406  -1.789   7.041
  317   3HD1  ILE  30          1HD1      ILE  30  -5.459  -1.899   5.282
  318    QG1  ILE  30           QG1      ILE  30  -5.378   0.413   6.218
  319    QG2  ILE  30           QG2      ILE  30  -2.295   0.697   6.757
  320    QD1  ILE  30           QD1      ILE  30  -4.924  -1.848   6.146
  321    H    PHE  31           H        PHE  31  -2.780   1.039   2.523
  322    HA   PHE  31           HA       PHE  31  -0.136   2.231   2.832
  323   1HB   PHE  31          2HB       PHE  31  -1.670   0.688   0.745
  324   2HB   PHE  31          1HB       PHE  31  -0.126   1.429   0.321
  325    HD1  PHE  31          1HD       PHE  31   1.556   1.136   2.617
  326    HD2  PHE  31          2HD       PHE  31  -1.394  -1.591   1.096
  327    HE1  PHE  31          1HE       PHE  31   2.755  -0.755   3.688
  328    HE2  PHE  31          2HE       PHE  31  -0.195  -3.481   2.167
  329   1HZ   PHE  31           HZ       PHE  31   1.878  -3.064   3.462
  330    QB   PHE  31           QB       PHE  31  -0.898   1.059   0.533
  331    QG   PHE  31           QD       PHE  31   0.081  -0.228   1.857
  332    QZ   PHE  31           QE       PHE  31   1.280  -2.118   2.927
  333    QZ   PHE  31           QR       PHE  31   0.920  -1.551   2.606
  334    H    LYS  32           H        LYS  32  -3.120   3.002   1.090
  335    HA   LYS  32           HA       LYS  32  -1.981   5.249  -0.344
  336   1HB   LYS  32          2HB       LYS  32  -4.706   4.057   0.045
  337   2HB   LYS  32          1HB       LYS  32  -4.515   5.603  -0.776
  338   1HG   LYS  32          2HG       LYS  32  -2.963   4.593  -2.382
  339   2HG   LYS  32          1HG       LYS  32  -3.103   3.039  -1.561
  340   1HD   LYS  32          2HD       LYS  32  -4.612   2.910  -3.399
  341   2HD   LYS  32          1HD       LYS  32  -5.627   3.215  -1.989
  342   1HE   LYS  32          2HE       LYS  32  -4.830   5.769  -2.971
  343   2HE   LYS  32          1HE       LYS  32  -5.364   4.819  -4.371
  344   1HZ   LYS  32          1HZ       LYS  32  -6.850   4.990  -1.804
  345   2HZ   LYS  32          3HZ       LYS  32  -7.215   5.924  -3.173
  346   3HZ   LYS  32          2HZ       LYS  32  -7.368   4.232  -3.234
  347    QB   LYS  32           QB       LYS  32  -4.610   4.830  -0.365
  348    QG   LYS  32           QG       LYS  32  -3.033   3.816  -1.972
  349    QD   LYS  32           QD       LYS  32  -5.119   3.063  -2.694
  350    QE   LYS  32           QE       LYS  32  -5.097   5.294  -3.671
  351    QZ   LYS  32           QZ       LYS  32  -7.144   5.049  -2.737
  352    H    GLN  33           H        GLN  33  -2.582   4.930   2.887
  353    HA   GLN  33           HA       GLN  33  -3.600   7.753   3.195
  354   1HB   GLN  33          2HB       GLN  33  -4.861   5.893   4.324
  355   2HB   GLN  33          1HB       GLN  33  -3.380   5.432   5.164
  356   1HG   GLN  33          2HG       GLN  33  -4.314   6.799   6.774
  357   2HG   GLN  33          1HG       GLN  33  -3.405   8.006   5.862
  358   1HE2  GLN  33          2HE2      GLN  33  -6.305   9.579   4.528
  359   2HE2  GLN  33          1HE2      GLN  33  -4.619   9.427   4.401
  360    QB   GLN  33           QB       GLN  33  -4.120   5.662   4.744
  361    QG   GLN  33           QG       GLN  33  -3.860   7.403   6.318
  362    QE2  GLN  33           QE2      GLN  33  -5.462   9.503   4.465
  363    H    TYR  34           H        TYR  34  -1.322   5.326   4.229
  364    HA   TYR  34           HA       TYR  34   0.567   6.749   5.760
  365   1HB   TYR  34          2HB       TYR  34   0.656   4.400   5.631
  366   2HB   TYR  34          1HB       TYR  34   0.400   4.398   3.881
  367    HD1  TYR  34          1HD       TYR  34   2.924   5.757   6.349
  368    HD2  TYR  34          2HD       TYR  34   2.254   3.731   2.621
  369    HE1  TYR  34          1HE       TYR  34   5.374   5.549   6.021
  370    HE2  TYR  34          2HE       TYR  34   4.703   3.524   2.293
  371    HH   TYR  34           HH       TYR  34   6.766   3.477   3.841
  372    QB   TYR  34           QB       TYR  34   0.528   4.399   4.756
  373    QG   TYR  34           QD       TYR  34   2.589   4.744   4.485
  374    QZ   TYR  34           QE       TYR  34   5.039   4.537   4.157
  375    QR   TYR  34           QR       TYR  34   3.814   4.640   4.321
  376    H    ALA  35           H        ALA  35   0.369   6.248   2.226
  377    HA   ALA  35           HA       ALA  35   2.708   7.689   1.410
  378   1HB   ALA  35          1HB       ALA  35   0.109   6.791   0.237
  379   2HB   ALA  35          3HB       ALA  35   1.019   8.009  -0.657
  380   3HB   ALA  35          2HB       ALA  35   1.756   6.444  -0.295
  381    QB   ALA  35           QB       ALA  35   0.961   7.081  -0.238
  382    H    ASN  36           H        ASN  36  -0.707   8.769   1.579
  383    HA   ASN  36           HA       ASN  36  -0.320  11.478   0.838
  384   1HB   ASN  36          2HB       ASN  36  -2.312   9.948   2.484
  385   2HB   ASN  36          1HB       ASN  36  -2.454  11.700   2.341
  386   1HD2  ASN  36          2HD2      ASN  36  -3.104   9.366  -0.975
  387   2HD2  ASN  36          1HD2      ASN  36  -2.282   8.712   0.358
  388    QB   ASN  36           QB       ASN  36  -2.383  10.824   2.413
  389    QD2  ASN  36           QD2      ASN  36  -2.693   9.039  -0.309
  390    H    ASP  37           H        ASP  37  -0.443  10.076   4.138
  391    HA   ASP  37           HA       ASP  37   0.017  12.462   5.594
  392   1HB   ASP  37          2HB       ASP  37  -0.608  10.054   6.325
  393   2HB   ASP  37          1HB       ASP  37   1.133   9.768   6.357
  394    QB   ASP  37           QB       ASP  37   0.262   9.911   6.341
  395    H    ASN  38           H        ASN  38   2.233  10.435   3.844
  396    HA   ASN  38           HA       ASN  38   4.600  11.778   4.930
  397   1HB   ASN  38          2HB       ASN  38   3.952   9.385   3.275
  398   2HB   ASN  38          1HB       ASN  38   5.554  10.095   3.077
  399   1HD2  ASN  38          2HD2      ASN  38   6.736   8.607   6.029
  400   2HD2  ASN  38          1HD2      ASN  38   7.076   9.243   4.492
  401    QB   ASN  38           QB       ASN  38   4.753   9.740   3.176
  402    QD2  ASN  38           QD2      ASN  38   6.906   8.925   5.260
  403    H    GLY  39           H        GLY  39   2.593  11.745   2.055
  404   1HA   GLY  39          2HA       GLY  39   2.553  13.747   0.619
  405   2HA   GLY  39          1HA       GLY  39   4.287  13.919   0.902
  406    QA   GLY  39           QA       GLY  39   3.420  13.833   0.761
  407    H    ILE  40           H        ILE  40   2.546  10.920   0.134
  408    HA   ILE  40           HA       ILE  40   4.275  10.639  -2.285
  409    HB   ILE  40           HB       ILE  40   3.142   8.888  -0.165
  410   1HG1  ILE  40          2HG1      ILE  40   5.367   7.760  -0.589
  411   2HG1  ILE  40          1HG1      ILE  40   5.690   9.043  -1.756
  412   1HG2  ILE  40          2HG2      ILE  40   2.155   7.911  -2.260
  413   2HG2  ILE  40          1HG2      ILE  40   3.795   7.741  -2.887
  414   3HG2  ILE  40          3HG2      ILE  40   3.302   6.851  -1.445
  415   1HD1  ILE  40          3HD1      ILE  40   4.802   9.673   1.046
  416   2HD1  ILE  40          2HD1      ILE  40   6.513   9.410   0.669
  417   3HD1  ILE  40          1HD1      ILE  40   5.617  10.723  -0.119
  418    QG1  ILE  40           QG1      ILE  40   5.529   8.402  -1.172
  419    QG2  ILE  40           QG2      ILE  40   3.084   7.501  -2.197
  420    QD1  ILE  40           QD1      ILE  40   5.644   9.935   0.532
  421    H    ASP  41           H        ASP  41   3.319  10.694  -4.235
  422    HA   ASP  41           HA       ASP  41   0.580   9.789  -4.723
  423   1HB   ASP  41          2HB       ASP  41   0.645  12.178  -3.567
  424   2HB   ASP  41          1HB       ASP  41   0.997  12.718  -5.209
  425    QB   ASP  41           QB       ASP  41   0.821  12.448  -4.388
  426    H    GLY  42           H        GLY  42   1.168   8.699  -6.591
  427   1HA   GLY  42          2HA       GLY  42   1.753  10.236  -8.982
  428   2HA   GLY  42          1HA       GLY  42   3.136   9.277  -8.458
  429    QA   GLY  42           QA       GLY  42   2.444   9.756  -8.720
  430    H    GLU  43           H        GLU  43   2.299   6.896  -7.763
  431    HA   GLU  43           HA       GLU  43   0.393   5.914  -9.862
  432   1HB   GLU  43          2HB       GLU  43   2.844   5.779 -10.504
  433   2HB   GLU  43          1HB       GLU  43   3.073   4.674  -9.145
  434   1HG   GLU  43          2HG       GLU  43   1.973   2.954 -10.185
  435   2HG   GLU  43          1HG       GLU  43   0.829   4.031 -10.988
  436    QB   GLU  43           QB       GLU  43   2.959   5.227  -9.825
  437    QG   GLU  43           QG       GLU  43   1.401   3.492 -10.587
  438    H    TRP  44           H        TRP  44  -0.376   3.680  -9.372
  439    HA   TRP  44           HA       TRP  44   0.072   2.514  -6.701
  440   1HB   TRP  44          2HB       TRP  44  -2.351   4.166  -7.427
  441   2HB   TRP  44          1HB       TRP  44  -2.556   2.756  -6.381
  442    HD1  TRP  44           HD       TRP  44  -1.343   6.310  -6.335
  443    HE1  TRP  44          1HE       TRP  44  -0.474   6.866  -3.970
  444    HE3  TRP  44          3HE       TRP  44  -1.380   1.647  -4.316
  445    HZ2  TRP  44          2HZ       TRP  44   0.127   5.492  -1.529
  446    HZ3  TRP  44          3HZ       TRP  44  -0.653   1.287  -1.959
  447    HH2  TRP  44           HH       TRP  44   0.101   3.207  -0.576
  448    QB   TRP  44           QB       TRP  44  -2.454   3.461  -6.904
  449    H    THR  45           H        THR  45   0.146   0.394  -7.284
  450    HA   THR  45           HA       THR  45  -2.108  -0.733  -8.873
  451    HB   THR  45           HB       THR  45  -0.582  -1.822 -10.411
  452    HG1  THR  45          1HG       THR  45   1.405  -0.662  -8.769
  453   1HG2  THR  45          2HG2      THR  45  -1.181   0.556 -10.891
  454   2HG2  THR  45          1HG2      THR  45   0.304   1.055 -10.078
  455   3HG2  THR  45          3HG2      THR  45   0.387   0.098 -11.558
  456    QG2  THR  45           QG2      THR  45  -0.163   0.570 -10.842
  457    H    TYR  46           H        TYR  46  -2.743  -2.637  -7.969
  458    HA   TYR  46           HA       TYR  46  -1.169  -3.748  -5.729
  459   1HB   TYR  46          2HB       TYR  46  -3.536  -3.397  -5.428
  460   2HB   TYR  46          1HB       TYR  46  -3.913  -4.272  -6.914
  461    HD1  TYR  46          1HD       TYR  46  -1.842  -4.903  -3.839
  462    HD2  TYR  46          2HD       TYR  46  -4.786  -6.406  -6.579
  463    HE1  TYR  46          1HE       TYR  46  -1.916  -7.038  -2.586
  464    HE2  TYR  46          2HE       TYR  46  -4.863  -8.542  -5.321
  465    HH   TYR  46           HH       TYR  46  -4.198  -9.091  -2.588
  466    QB   TYR  46           QB       TYR  46  -3.725  -3.835  -6.171
  467    QG   TYR  46           QD       TYR  46  -3.314  -5.654  -5.209
  468    QZ   TYR  46           QE       TYR  46  -3.390  -7.790  -3.953
  469    QR   TYR  46           QR       TYR  46  -3.352  -6.722  -4.581
  470    H    ASP  47           H        ASP  47  -0.485  -5.962  -5.685
  471    HA   ASP  47           HA       ASP  47  -0.356  -7.322  -8.356
  472   1HB   ASP  47          2HB       ASP  47   1.720  -7.121  -6.146
  473   2HB   ASP  47          1HB       ASP  47   1.914  -8.060  -7.625
  474    QB   ASP  47           QB       ASP  47   1.817  -7.590  -6.886
  475    H    ASP  48           H        ASP  48  -1.930  -8.893  -8.014
  476    HA   ASP  48           HA       ASP  48  -2.371 -10.246  -5.501
  477   1HB   ASP  48          2HB       ASP  48  -3.998  -9.891  -7.394
  478   2HB   ASP  48          1HB       ASP  48  -3.108 -11.105  -8.312
  479    QB   ASP  48           QB       ASP  48  -3.553 -10.498  -7.853
  480    H    ALA  49           H        ALA  49   0.154 -10.590  -7.730
  481    HA   ALA  49           HA       ALA  49   0.512 -13.495  -7.399
  482   1HB   ALA  49          1HB       ALA  49   2.013 -11.254  -8.783
  483   2HB   ALA  49          3HB       ALA  49   2.586 -12.922  -8.778
  484   3HB   ALA  49          2HB       ALA  49   1.045 -12.521  -9.536
  485    QB   ALA  49           QB       ALA  49   1.881 -12.232  -9.032
  486    H    THR  50           H        THR  50   1.708 -10.458  -6.081
  487    HA   THR  50           HA       THR  50   3.488 -12.011  -4.233
  488    HB   THR  50           HB       THR  50   4.943  -9.985  -4.306
  489    HG1  THR  50          1HG       THR  50   4.415  -8.502  -6.049
  490   1HG2  THR  50          3HG2      THR  50   5.039 -11.979  -5.973
  491   2HG2  THR  50          2HG2      THR  50   4.392 -10.828  -7.142
  492   3HG2  THR  50          1HG2      THR  50   5.944 -10.516  -6.364
  493    QG2  THR  50           QG2      THR  50   5.125 -11.108  -6.493
  494    H    LYS  51           H        LYS  51   0.612 -10.405  -4.358
  495    HA   LYS  51           HA       LYS  51  -0.705  -9.252  -2.777
  496   1HB   LYS  51          2HB       LYS  51   1.363 -10.593  -1.000
  497   2HB   LYS  51          1HB       LYS  51  -0.146  -9.892  -0.417
  498   1HG   LYS  51          2HG       LYS  51  -0.458 -11.772  -2.678
  499   2HG   LYS  51          1HG       LYS  51   0.139 -12.506  -1.190
  500   1HD   LYS  51          2HD       LYS  51  -1.755 -11.690   0.061
  501   2HD   LYS  51          1HD       LYS  51  -2.299 -10.713  -1.303
  502   1HE   LYS  51          2HE       LYS  51  -2.178 -13.193  -2.463
  503   2HE   LYS  51          1HE       LYS  51  -2.671 -13.602  -0.808
  504   1HZ   LYS  51          2HZ       LYS  51  -3.914 -11.495  -2.497
  505   2HZ   LYS  51          1HZ       LYS  51  -4.589 -13.024  -2.190
  506   3HZ   LYS  51          3HZ       LYS  51  -4.387 -11.918  -0.921
  507    QB   LYS  51           QB       LYS  51   0.608 -10.243  -0.709
  508    QG   LYS  51           QG       LYS  51  -0.159 -12.139  -1.934
  509    QD   LYS  51           QD       LYS  51  -2.027 -11.201  -0.621
  510    QE   LYS  51           QE       LYS  51  -2.424 -13.397  -1.635
  511    QZ   LYS  51           QZ       LYS  51  -4.296 -12.146  -1.869
  512    H    THR  52           H        THR  52   1.408  -7.729  -4.030
  513    HA   THR  52           HA       THR  52   1.992  -5.778  -1.813
  514    HB   THR  52           HB       THR  52   3.817  -6.608  -4.091
  515    HG1  THR  52          1HG       THR  52   3.864  -8.267  -2.715
  516   1HG2  THR  52          3HG2      THR  52   3.924  -4.545  -1.947
  517   2HG2  THR  52          2HG2      THR  52   5.415  -5.426  -2.283
  518   3HG2  THR  52          1HG2      THR  52   4.617  -4.521  -3.569
  519    QG2  THR  52           QG2      THR  52   4.652  -4.831  -2.600
  520    H    PHE  53           H        PHE  53   1.840  -3.586  -2.409
  521    HA   PHE  53           HA       PHE  53   0.535  -3.035  -5.031
  522   1HB   PHE  53          2HB       PHE  53   0.900  -1.469  -2.457
  523   2HB   PHE  53          1HB       PHE  53   0.061  -0.837  -3.873
  524    HD1  PHE  53          1HD       PHE  53   0.052  -3.691  -1.455
  525    HD2  PHE  53          2HD       PHE  53  -2.223  -1.317  -4.230
  526    HE1  PHE  53          1HE       PHE  53  -2.034  -4.833  -0.726
  527    HE2  PHE  53          2HE       PHE  53  -4.296  -2.464  -3.497
  528   1HZ   PHE  53           HZ       PHE  53  -4.201  -4.218  -1.753
  529    QB   PHE  53           QB       PHE  53   0.480  -1.153  -3.165
  530    QG   PHE  53           QD       PHE  53  -1.085  -2.504  -2.842
  531    QZ   PHE  53           QE       PHE  53  -3.165  -3.649  -2.112
  532    QZ   PHE  53           QR       PHE  53  -2.540  -3.305  -2.332
  533    H    THR  54           H        THR  54   1.266  -0.758  -5.996
  534    HA   THR  54           HA       THR  54   4.216  -0.376  -5.600
  535    HB   THR  54           HB       THR  54   3.243  -0.045  -8.369
  536    HG1  THR  54          1HG       THR  54   3.245  -2.607  -7.150
  537   1HG2  THR  54          3HG2      THR  54   5.634  -0.065  -7.509
  538   2HG2  THR  54          2HG2      THR  54   5.445  -1.802  -7.272
  539   3HG2  THR  54          1HG2      THR  54   5.318  -1.114  -8.891
  540    QG2  THR  54           QG2      THR  54   5.465  -0.994  -7.891
  541    H    VAL  55           H        VAL  55   4.243   1.664  -4.797
  542    HA   VAL  55           HA       VAL  55   2.453   3.678  -6.072
  543    HB   VAL  55           HB       VAL  55   1.617   3.594  -3.915
  544   1HG1  VAL  55          3HG1      VAL  55   4.368   2.707  -3.111
  545   2HG1  VAL  55          2HG1      VAL  55   3.253   3.323  -1.891
  546   3HG1  VAL  55          1HG1      VAL  55   2.818   1.909  -2.853
  547   1HG2  VAL  55          3HG2      VAL  55   2.558   5.897  -4.262
  548   2HG2  VAL  55          2HG2      VAL  55   2.433   5.437  -2.561
  549   3HG2  VAL  55          1HG2      VAL  55   4.007   5.395  -3.376
  550    QG1  VAL  55           QG1      VAL  55   3.480   2.646  -2.619
  551    QG2  VAL  55           QG2      VAL  55   2.999   5.576  -3.400
  552    QQG  VAL  55           QQG      VAL  55   3.240   4.111  -3.009
  553    H    THR  56           H        THR  56   3.275   5.806  -6.385
  554    HA   THR  56           HA       THR  56   6.098   6.384  -5.845
  555    HB   THR  56           HB       THR  56   5.960   4.822  -7.876
  556    HG1  THR  56          1HG       THR  56   7.473   6.161  -9.027
  557   1HG2  THR  56          1HG2      THR  56   4.018   6.582  -8.744
  558   2HG2  THR  56          3HG2      THR  56   5.430   7.046  -9.693
  559   3HG2  THR  56          2HG2      THR  56   4.845   5.381  -9.737
  560    QG2  THR  56           QG2      THR  56   4.764   6.336  -9.391
  561    H    GLU  57           H        GLU  57   6.513   8.506  -7.521
  562    HA   GLU  57           HA       GLU  57   4.132  10.278  -7.063
  563   1HB   GLU  57          2HB       GLU  57   6.139  10.431  -5.455
  564   2HB   GLU  57          1HB       GLU  57   7.036  11.099  -6.819
  565   1HG   GLU  57          2HG       GLU  57   5.351  12.885  -7.058
  566   2HG   GLU  57          1HG       GLU  57   4.453  12.221  -5.692
  567    QB   GLU  57           QB       GLU  57   6.588  10.765  -6.137
  568    QG   GLU  57           QG       GLU  57   4.902  12.553  -6.375
   
  No H/Q in entry =         568
  Start of MODEL   33
    1   1H    MET   1          1HT       MET   1  -0.070 -12.407   8.478
    2   2H    MET   1          3HT       MET   1  -1.555 -12.074   9.226
    3   3H    MET   1          2HT       MET   1  -0.627 -13.402   9.737
    4    HA   MET   1           HA       MET   1  -1.043 -14.600   7.751
    5   1HB   MET   1          2HB       MET   1  -3.183 -13.305   9.329
    6   2HB   MET   1          1HB       MET   1  -3.727 -14.028   7.815
    7   1HG   MET   1          2HG       MET   1  -2.770 -16.172   8.429
    8   2HG   MET   1          1HG       MET   1  -2.037 -15.474   9.873
    9   1HE   MET   1          2HE       MET   1  -2.628 -16.729  11.403
   10   2HE   MET   1          1HE       MET   1  -3.562 -15.589  12.369
   11   3HE   MET   1          3HE       MET   1  -4.208 -17.200  12.025
   12    QB   MET   1           QB       MET   1  -3.455 -13.666   8.572
   13    QG   MET   1           QG       MET   1  -2.403 -15.823   9.151
   14    QE   MET   1           QE       MET   1  -3.466 -16.506  11.932
   15    H    THR   2           H        THR   2  -2.396 -11.297   7.572
   16    HA   THR   2           HA       THR   2  -2.295 -11.504   4.578
   17    HB   THR   2           HB       THR   2  -4.067  -9.809   6.369
   18    HG1  THR   2          1HG       THR   2  -4.829 -11.805   6.607
   19   1HG2  THR   2          3HG2      THR   2  -3.685 -10.077   3.426
   20   2HG2  THR   2          2HG2      THR   2  -5.340  -9.905   4.011
   21   3HG2  THR   2          1HG2      THR   2  -4.143  -8.663   4.376
   22    QG2  THR   2           QG2      THR   2  -4.389  -9.548   3.938
   23    H    THR   3           H        THR   3  -0.041 -10.705   6.244
   24    HA   THR   3           HA       THR   3   0.230  -7.866   6.506
   25    HB   THR   3           HB       THR   3   2.418  -9.863   5.871
   26    HG1  THR   3          1HG       THR   3   1.889 -10.839   7.630
   27   1HG2  THR   3          1HG2      THR   3   2.601  -7.197   6.297
   28   2HG2  THR   3          3HG2      THR   3   2.667  -7.772   7.964
   29   3HG2  THR   3          2HG2      THR   3   3.854  -8.338   6.788
   30    QG2  THR   3           QG2      THR   3   3.041  -7.769   7.016
   31    H    PHE   4           H        PHE   4  -0.671  -7.003   4.502
   32    HA   PHE   4           HA       PHE   4   0.437  -7.655   1.900
   33   1HB   PHE   4          2HB       PHE   4  -1.430  -5.682   3.129
   34   2HB   PHE   4          1HB       PHE   4  -0.735  -5.243   1.568
   35    HD1  PHE   4          2HD       PHE   4  -0.825  -7.034  -0.306
   36    HD2  PHE   4          1HD       PHE   4  -3.269  -7.151   3.222
   37    HE1  PHE   4          2HE       PHE   4  -2.398  -8.568  -1.450
   38    HE2  PHE   4          1HE       PHE   4  -4.848  -8.681   2.070
   39   1HZ   PHE   4           HZ       PHE   4  -4.411  -9.393  -0.260
   40    QB   PHE   4           QB       PHE   4  -1.083  -5.462   2.348
   41    QG   PHE   4           QD       PHE   4  -2.047  -7.093   1.458
   42    QZ   PHE   4           QE       PHE   4  -3.623  -8.624   0.310
   43    QZ   PHE   4           QR       PHE   4  -3.150  -8.165   0.655
   44    H    LYS   5           H        LYS   5   2.176  -6.716   0.857
   45    HA   LYS   5           HA       LYS   5   3.825  -4.785   2.417
   46   1HB   LYS   5          2HB       LYS   5   4.274  -6.672   0.093
   47   2HB   LYS   5          1HB       LYS   5   5.490  -5.489   0.573
   48   1HG   LYS   5          2HG       LYS   5   6.064  -6.649   2.440
   49   2HG   LYS   5          1HG       LYS   5   4.391  -7.057   2.818
   50   1HD   LYS   5          2HD       LYS   5   4.658  -8.604   0.665
   51   2HD   LYS   5          1HD       LYS   5   6.362  -8.522   1.112
   52   1HE   LYS   5          2HE       LYS   5   5.871  -9.371   3.347
   53   2HE   LYS   5          1HE       LYS   5   4.129  -9.335   3.008
   54   1HZ   LYS   5          1HZ       LYS   5   6.131 -10.863   1.430
   55   2HZ   LYS   5          3HZ       LYS   5   5.113 -11.542   2.605
   56   3HZ   LYS   5          2HZ       LYS   5   4.448 -10.865   1.196
   57    QB   LYS   5           QB       LYS   5   4.882  -6.081   0.333
   58    QG   LYS   5           QG       LYS   5   5.228  -6.853   2.629
   59    QD   LYS   5           QD       LYS   5   5.510  -8.563   0.889
   60    QE   LYS   5           QE       LYS   5   5.000  -9.353   3.178
   61    QZ   LYS   5           QZ       LYS   5   5.231 -11.090   1.744
   62    H    LEU   6           H        LEU   6   5.129  -3.273   0.753
   63    HA   LEU   6           HA       LEU   6   3.565  -2.334  -1.549
   64   1HB   LEU   6          2HB       LEU   6   2.518  -1.502   0.681
   65   2HB   LEU   6          1HB       LEU   6   3.925  -0.458   0.795
   66    HG   LEU   6           HG       LEU   6   1.538  -0.247  -0.955
   67   1HD1  LEU   6          1HD1      LEU   6   3.335   1.441   0.650
   68   2HD1  LEU   6          3HD1      LEU   6   2.785   2.204  -0.840
   69   3HD1  LEU   6          2HD1      LEU   6   1.612   1.612   0.329
   70   1HD2  LEU   6          1HD2      LEU   6   3.246  -0.746  -2.697
   71   2HD2  LEU   6          3HD2      LEU   6   2.720   0.936  -2.778
   72   3HD2  LEU   6          2HD2      LEU   6   4.272   0.532  -2.048
   73    QB   LEU   6           QB       LEU   6   3.221  -0.980   0.738
   74    QD1  LEU   6           QD1      LEU   6   2.577   1.752   0.046
   75    QD2  LEU   6           QD2      LEU   6   3.413   0.240  -2.508
   76    QQD  LEU   6           QQD      LEU   6   2.995   0.996  -1.231
   77    H    ILE   7           H        ILE   7   5.191  -1.849  -2.964
   78    HA   ILE   7           HA       ILE   7   7.825  -0.904  -1.963
   79    HB   ILE   7           HB       ILE   7   6.767  -1.618  -4.725
   80   1HG1  ILE   7          2HG1      ILE   7   8.638  -3.222  -2.969
   81   2HG1  ILE   7          1HG1      ILE   7   6.889  -3.453  -2.937
   82   1HG2  ILE   7          2HG2      ILE   7   8.728  -0.067  -4.723
   83   2HG2  ILE   7          1HG2      ILE   7   9.624  -1.253  -3.773
   84   3HG2  ILE   7          3HG2      ILE   7   9.107  -1.647  -5.412
   85   1HD1  ILE   7          3HD1      ILE   7   8.238  -3.442  -5.602
   86   2HD1  ILE   7          2HD1      ILE   7   8.444  -4.867  -4.582
   87   3HD1  ILE   7          1HD1      ILE   7   6.827  -4.352  -5.063
   88    QG1  ILE   7           QG1      ILE   7   7.764  -3.338  -2.953
   89    QG2  ILE   7           QG2      ILE   7   9.153  -0.989  -4.636
   90    QD1  ILE   7           QD1      ILE   7   7.836  -4.221  -5.082
   91    H    ILE   8           H        ILE   8   7.940   1.327  -1.660
   92    HA   ILE   8           HA       ILE   8   6.140   3.056  -3.220
   93    HB   ILE   8           HB       ILE   8   8.131   3.647  -1.003
   94   1HG1  ILE   8          2HG1      ILE   8   5.931   4.159   0.217
   95   2HG1  ILE   8          1HG1      ILE   8   5.117   3.349  -1.115
   96   1HG2  ILE   8          3HG2      ILE   8   6.238   5.390  -2.588
   97   2HG2  ILE   8          2HG2      ILE   8   6.723   5.831  -0.950
   98   3HG2  ILE   8          1HG2      ILE   8   7.941   5.678  -2.218
   99   1HD1  ILE   8          2HD1      ILE   8   7.381   1.982   0.279
  100   2HD1  ILE   8          1HD1      ILE   8   5.775   1.975   1.009
  101   3HD1  ILE   8          3HD1      ILE   8   6.016   1.287  -0.597
  102    QG1  ILE   8           QG1      ILE   8   5.524   3.754  -0.449
  103    QG2  ILE   8           QG2      ILE   8   6.967   5.633  -1.919
  104    QD1  ILE   8           QD1      ILE   8   6.391   1.748   0.230
  105    H    ASN   9           H        ASN   9   6.819   3.847  -5.172
  106    HA   ASN   9           HA       ASN   9   9.747   3.982  -5.743
  107   1HB   ASN   9          2HB       ASN   9   8.263   2.657  -7.217
  108   2HB   ASN   9          1HB       ASN   9   7.287   4.092  -7.522
  109   1HD2  ASN   9          2HD2      ASN   9   9.466   5.345  -9.992
  110   2HD2  ASN   9          1HD2      ASN   9   7.990   5.506  -9.169
  111    QB   ASN   9           QB       ASN   9   7.775   3.375  -7.370
  112    QD2  ASN   9           QD2      ASN   9   8.728   5.425  -9.580
  113    H    GLY  10           H        GLY  10   9.150   6.024  -4.099
  114   1HA   GLY  10          2HA       GLY  10   9.116   8.388  -5.908
  115   2HA   GLY  10          1HA       GLY  10   8.024   8.368  -4.524
  116    QA   GLY  10           QA       GLY  10   8.570   8.378  -5.216
  117    H    LYS  11           H        LYS  11   9.751  10.410  -4.508
  118    HA   LYS  11           HA       LYS  11  12.326   9.870  -3.314
  119   1HB   LYS  11          2HB       LYS  11  12.354  12.304  -2.999
  120   2HB   LYS  11          1HB       LYS  11  11.694  11.916  -4.586
  121   1HG   LYS  11          2HG       LYS  11   9.384  12.117  -3.605
  122   2HG   LYS  11          1HG       LYS  11  10.123  12.667  -2.101
  123   1HD   LYS  11          2HD       LYS  11  11.010  14.624  -3.136
  124   2HD   LYS  11          1HD       LYS  11  10.671  14.009  -4.754
  125   1HE   LYS  11          2HE       LYS  11   8.417  14.526  -4.628
  126   2HE   LYS  11          1HE       LYS  11   8.361  14.300  -2.868
  127   1HZ   LYS  11          1HZ       LYS  11   9.792  16.274  -2.649
  128   2HZ   LYS  11          3HZ       LYS  11   9.685  16.527  -4.322
  129   3HZ   LYS  11          2HZ       LYS  11   8.293  16.642  -3.356
  130    QB   LYS  11           QB       LYS  11  12.024  12.110  -3.792
  131    QG   LYS  11           QG       LYS  11   9.754  12.392  -2.853
  132    QD   LYS  11           QD       LYS  11  10.840  14.317  -3.945
  133    QE   LYS  11           QE       LYS  11   8.389  14.413  -3.748
  134    QZ   LYS  11           QZ       LYS  11   9.257  16.481  -3.442
  135    H    THR  12           H        THR  12   9.149  10.755  -1.947
  136    HA   THR  12           HA       THR  12  10.119  10.851   0.802
  137    HB   THR  12           HB       THR  12   7.537  10.804   1.152
  138    HG1  THR  12          1HG       THR  12   6.520  11.424  -0.895
  139   1HG2  THR  12          1HG2      THR  12   9.157  12.878  -0.288
  140   2HG2  THR  12          3HG2      THR  12   7.439  13.158  -0.009
  141   3HG2  THR  12          2HG2      THR  12   8.525  12.905   1.358
  142    QG2  THR  12           QG2      THR  12   8.374  12.980   0.353
  143    H    LEU  13           H        LEU  13  10.737   9.043   1.845
  144    HA   LEU  13           HA       LEU  13  10.771   6.844   2.635
  145   1HB   LEU  13          2HB       LEU  13   8.724   6.368   3.511
  146   2HB   LEU  13          1HB       LEU  13   8.164   7.819   2.696
  147    HG   LEU  13           HG       LEU  13   7.780   6.249   0.663
  148   1HD1  LEU  13          3HD1      LEU  13   8.928   4.389   2.351
  149   2HD1  LEU  13          2HD1      LEU  13   7.208   4.063   2.555
  150   3HD1  LEU  13          1HD1      LEU  13   7.933   3.993   0.950
  151   1HD2  LEU  13          2HD2      LEU  13   6.092   7.337   2.327
  152   2HD2  LEU  13          1HD2      LEU  13   5.532   6.001   1.319
  153   3HD2  LEU  13          3HD2      LEU  13   5.963   5.713   3.005
  154    QB   LEU  13           QB       LEU  13   8.444   7.093   3.103
  155    QD1  LEU  13           QD1      LEU  13   8.023   4.148   1.952
  156    QD2  LEU  13           QD2      LEU  13   5.862   6.350   2.217
  157    QQD  LEU  13           QQD      LEU  13   6.943   5.249   2.085
  158    H    LYS  14           H        LYS  14  10.872   4.605   1.838
  159    HA   LYS  14           HA       LYS  14  10.130   3.906  -0.849
  160   1HB   LYS  14          2HB       LYS  14  12.447   3.872  -1.770
  161   2HB   LYS  14          1HB       LYS  14  11.933   5.501  -1.335
  162   1HG   LYS  14          2HG       LYS  14  13.774   5.665  -0.043
  163   2HG   LYS  14          1HG       LYS  14  13.074   4.443   1.017
  164   1HD   LYS  14          2HD       LYS  14  15.291   3.712   0.321
  165   2HD   LYS  14          1HD       LYS  14  14.083   2.673  -0.438
  166   1HE   LYS  14          2HE       LYS  14  14.615   3.398  -2.539
  167   2HE   LYS  14          1HE       LYS  14  14.799   5.082  -2.010
  168   1HZ   LYS  14          2HZ       LYS  14  16.879   4.479  -0.932
  169   2HZ   LYS  14          1HZ       LYS  14  16.715   2.875  -1.465
  170   3HZ   LYS  14          3HZ       LYS  14  16.946   4.121  -2.592
  171    QB   LYS  14           QB       LYS  14  12.190   4.686  -1.553
  172    QG   LYS  14           QG       LYS  14  13.424   5.054   0.487
  173    QD   LYS  14           QD       LYS  14  14.687   3.193  -0.059
  174    QE   LYS  14           QE       LYS  14  14.707   4.240  -2.274
  175    QZ   LYS  14           QZ       LYS  14  16.846   3.825  -1.663
  176    H    GLY  15           H        GLY  15   9.889   1.720  -0.786
  177   1HA   GLY  15          2HA       GLY  15  11.341  -0.400  -0.421
  178   2HA   GLY  15          1HA       GLY  15  11.466   0.191   1.237
  179    QA   GLY  15           QA       GLY  15  11.404  -0.105   0.408
  180    H    GLU  16           H        GLU  16  10.415  -1.838   1.875
  181    HA   GLU  16           HA       GLU  16   7.479  -1.950   1.273
  182   1HB   GLU  16          2HB       GLU  16   9.661  -3.911   1.863
  183   2HB   GLU  16          1HB       GLU  16   8.026  -4.326   2.378
  184   1HG   GLU  16          2HG       GLU  16   7.867  -5.137   0.244
  185   2HG   GLU  16          1HG       GLU  16   7.503  -3.453  -0.132
  186    QB   GLU  16           QB       GLU  16   8.843  -4.118   2.121
  187    QG   GLU  16           QG       GLU  16   7.685  -4.295   0.056
  188    H    ILE  17           H        ILE  17   6.018  -2.035   3.022
  189    HA   ILE  17           HA       ILE  17   7.173  -1.393   5.714
  190    HB   ILE  17           HB       ILE  17   4.495  -0.722   4.453
  191   1HG1  ILE  17          2HG1      ILE  17   6.386   0.491   3.422
  192   2HG1  ILE  17          1HG1      ILE  17   5.381   1.585   4.368
  193   1HG2  ILE  17          3HG2      ILE  17   4.425  -0.951   6.931
  194   2HG2  ILE  17          2HG2      ILE  17   5.719   0.240   7.056
  195   3HG2  ILE  17          1HG2      ILE  17   4.149   0.709   6.404
  196   1HD1  ILE  17          3HD1      ILE  17   7.002   1.223   6.298
  197   2HD1  ILE  17          2HD1      ILE  17   8.059   0.406   5.147
  198   3HD1  ILE  17          1HD1      ILE  17   7.658   2.107   4.920
  199    QG1  ILE  17           QG1      ILE  17   5.883   1.038   3.895
  200    QG2  ILE  17           QG2      ILE  17   4.764  -0.001   6.797
  201    QD1  ILE  17           QD1      ILE  17   7.573   1.245   5.455
  202    H    THR  18           H        THR  18   5.262  -3.671   3.930
  203    HA   THR  18           HA       THR  18   3.954  -5.524   4.563
  204    HB   THR  18           HB       THR  18   5.102  -6.865   6.285
  205    HG1  THR  18          1HG       THR  18   6.729  -5.967   7.486
  206   1HG2  THR  18          1HG2      THR  18   6.496  -5.511   4.067
  207   2HG2  THR  18          3HG2      THR  18   7.560  -6.240   5.269
  208   3HG2  THR  18          2HG2      THR  18   6.364  -7.230   4.435
  209    QG2  THR  18           QG2      THR  18   6.807  -6.327   4.590
  210    H    ILE  19           H        ILE  19   1.913  -4.703   5.162
  211    HA   ILE  19           HA       ILE  19   1.522  -4.299   8.112
  212    HB   ILE  19           HB       ILE  19  -0.139  -2.574   7.556
  213   1HG1  ILE  19          2HG1      ILE  19   0.113  -1.857   4.967
  214   2HG1  ILE  19          1HG1      ILE  19   0.337  -3.597   4.795
  215   1HG2  ILE  19          1HG2      ILE  19   2.512  -2.197   6.133
  216   2HG2  ILE  19          3HG2      ILE  19   1.407  -0.894   6.571
  217   3HG2  ILE  19          2HG2      ILE  19   2.181  -1.855   7.831
  218   1HD1  ILE  19          2HD1      ILE  19  -1.802  -3.507   6.498
  219   2HD1  ILE  19          1HD1      ILE  19  -2.086  -2.066   5.519
  220   3HD1  ILE  19          3HD1      ILE  19  -1.938  -3.645   4.745
  221    QG1  ILE  19           QG1      ILE  19   0.225  -2.727   4.881
  222    QG2  ILE  19           QG2      ILE  19   2.034  -1.649   6.845
  223    QD1  ILE  19           QD1      ILE  19  -1.942  -3.073   5.587
  224    H    GLU  20           H        GLU  20  -0.238  -5.355   9.011
  225    HA   GLU  20           HA       GLU  20  -1.471  -7.510   7.466
  226   1HB   GLU  20          2HB       GLU  20  -1.849  -6.452  10.285
  227   2HB   GLU  20          1HB       GLU  20  -2.547  -7.957   9.684
  228   1HG   GLU  20          2HG       GLU  20   0.385  -7.571   9.297
  229   2HG   GLU  20          1HG       GLU  20  -0.174  -7.893  10.938
  230    QB   GLU  20           QB       GLU  20  -2.198  -7.204   9.985
  231    QG   GLU  20           QG       GLU  20   0.105  -7.732  10.117
  232    H    ALA  21           H        ALA  21  -3.724  -7.714   7.016
  233    HA   ALA  21           HA       ALA  21  -5.636  -5.606   7.657
  234   1HB   ALA  21          1HB       ALA  21  -4.331  -5.820   4.932
  235   2HB   ALA  21          3HB       ALA  21  -5.870  -4.993   5.176
  236   3HB   ALA  21          2HB       ALA  21  -4.415  -4.403   5.981
  237    QB   ALA  21           QB       ALA  21  -4.872  -5.072   5.363
  238    H    VAL  22           H        VAL  22  -7.787  -6.151   6.805
  239    HA   VAL  22           HA       VAL  22  -8.469  -8.882   6.845
  240    HB   VAL  22           HB       VAL  22 -10.006  -6.998   7.244
  241   1HG1  VAL  22          2HG1      VAL  22  -8.948  -5.671   5.270
  242   2HG1  VAL  22          1HG1      VAL  22 -10.116  -6.533   4.269
  243   3HG1  VAL  22          3HG1      VAL  22 -10.676  -5.485   5.572
  244   1HG2  VAL  22          1HG2      VAL  22 -10.858  -9.251   6.460
  245   2HG2  VAL  22          3HG2      VAL  22 -11.939  -7.898   6.119
  246   3HG2  VAL  22          2HG2      VAL  22 -10.941  -8.577   4.832
  247    QG1  VAL  22           QG1      VAL  22  -9.913  -5.897   5.037
  248    QG2  VAL  22           QG2      VAL  22 -11.246  -8.575   5.804
  249    QQG  VAL  22           QQG      VAL  22 -10.580  -7.236   5.420
  250    H    ASP  23           H        ASP  23  -7.789  -6.765   4.079
  251    HA   ASP  23           HA       ASP  23  -7.116  -9.078   2.390
  252   1HB   ASP  23          2HB       ASP  23  -8.850  -8.476   0.697
  253   2HB   ASP  23          1HB       ASP  23  -9.569  -8.972   2.226
  254    QB   ASP  23           QB       ASP  23  -9.209  -8.724   1.462
  255    H    ALA  24           H        ALA  24  -6.648  -8.070   0.026
  256    HA   ALA  24           HA       ALA  24  -4.615  -6.073   0.370
  257   1HB   ALA  24          3HB       ALA  24  -5.298  -7.904  -1.529
  258   2HB   ALA  24          2HB       ALA  24  -5.843  -6.415  -2.306
  259   3HB   ALA  24          1HB       ALA  24  -4.157  -6.585  -1.808
  260    QB   ALA  24           QB       ALA  24  -5.100  -6.968  -1.881
  261    H    ALA  25           H        ALA  25  -8.039  -5.900  -0.423
  262    HA   ALA  25           HA       ALA  25  -8.236  -3.311  -1.523
  263   1HB   ALA  25          2HB       ALA  25  -9.933  -5.317  -0.849
  264   2HB   ALA  25          1HB       ALA  25 -10.288  -4.173   0.446
  265   3HB   ALA  25          3HB       ALA  25 -10.487  -3.689  -1.239
  266    QB   ALA  25           QB       ALA  25 -10.236  -4.393  -0.547
  267    H    GLU  26           H        GLU  26  -8.445  -4.296   1.908
  268    HA   GLU  26           HA       GLU  26  -8.588  -1.614   2.968
  269   1HB   GLU  26          2HB       GLU  26  -8.374  -4.389   3.887
  270   2HB   GLU  26          1HB       GLU  26  -7.456  -3.286   4.911
  271   1HG   GLU  26          2HG       GLU  26 -10.307  -2.701   4.094
  272   2HG   GLU  26          1HG       GLU  26  -9.922  -3.643   5.536
  273    QB   GLU  26           QB       GLU  26  -7.915  -3.837   4.399
  274    QG   GLU  26           QG       GLU  26 -10.115  -3.172   4.815
  275    H    ALA  27           H        ALA  27  -5.919  -3.912   2.427
  276    HA   ALA  27           HA       ALA  27  -3.774  -2.445   3.568
  277   1HB   ALA  27          2HB       ALA  27  -4.205  -4.584   1.598
  278   2HB   ALA  27          1HB       ALA  27  -2.728  -3.665   1.305
  279   3HB   ALA  27          3HB       ALA  27  -2.982  -4.460   2.861
  280    QB   ALA  27           QB       ALA  27  -3.305  -4.236   1.921
  281    H    GLU  28           H        GLU  28  -5.097  -2.317   0.240
  282    HA   GLU  28           HA       GLU  28  -3.338  -0.336  -0.815
  283   1HB   GLU  28          2HB       GLU  28  -5.171  -1.855  -1.903
  284   2HB   GLU  28          1HB       GLU  28  -6.270  -0.534  -1.507
  285   1HG   GLU  28          2HG       GLU  28  -4.778   1.038  -2.742
  286   2HG   GLU  28          1HG       GLU  28  -3.758  -0.325  -3.209
  287    QB   GLU  28           QB       GLU  28  -5.720  -1.194  -1.705
  288    QG   GLU  28           QG       GLU  28  -4.268   0.356  -2.975
  289    H    LYS  29           H        LYS  29  -6.345  -0.056   1.073
  290    HA   LYS  29           HA       LYS  29  -6.574   2.828   0.887
  291   1HB   LYS  29          2HB       LYS  29  -7.594   0.696   2.782
  292   2HB   LYS  29          1HB       LYS  29  -8.031   2.395   2.956
  293   1HG   LYS  29          2HG       LYS  29  -8.344   1.353   0.213
  294   2HG   LYS  29          1HG       LYS  29  -9.395   0.580   1.399
  295   1HD   LYS  29          2HD       LYS  29 -10.554   2.513   0.502
  296   2HD   LYS  29          1HD       LYS  29 -10.103   2.862   2.172
  297   1HE   LYS  29          2HE       LYS  29  -8.445   4.383   1.550
  298   2HE   LYS  29          1HE       LYS  29  -8.218   3.636  -0.045
  299   1HZ   LYS  29          1HZ       LYS  29 -10.726   4.974   0.814
  300   2HZ   LYS  29          3HZ       LYS  29  -9.521   5.742  -0.099
  301   3HZ   LYS  29          2HZ       LYS  29 -10.348   4.404  -0.742
  302    QB   LYS  29           QB       LYS  29  -7.812   1.546   2.869
  303    QG   LYS  29           QG       LYS  29  -8.870   0.967   0.806
  304    QD   LYS  29           QD       LYS  29 -10.328   2.687   1.337
  305    QE   LYS  29           QE       LYS  29  -8.332   4.010   0.752
  306    QZ   LYS  29           QZ       LYS  29 -10.198   5.040  -0.009
  307    H    ILE  30           H        ILE  30  -5.348   0.653   3.453
  308    HA   ILE  30           HA       ILE  30  -4.368   2.654   5.238
  309    HB   ILE  30           HB       ILE  30  -3.386  -0.164   4.628
  310   1HG1  ILE  30          2HG1      ILE  30  -5.279   0.811   6.788
  311   2HG1  ILE  30          1HG1      ILE  30  -5.809   0.074   5.277
  312   1HG2  ILE  30          2HG2      ILE  30  -2.710   1.829   6.760
  313   2HG2  ILE  30          1HG2      ILE  30  -2.807   0.126   7.211
  314   3HG2  ILE  30          3HG2      ILE  30  -1.673   0.644   5.964
  315   1HD1  ILE  30          2HD1      ILE  30  -3.955  -1.752   6.111
  316   2HD1  ILE  30          1HD1      ILE  30  -4.585  -1.183   7.657
  317   3HD1  ILE  30          3HD1      ILE  30  -5.681  -1.871   6.459
  318    QG1  ILE  30           QG1      ILE  30  -5.544   0.443   6.033
  319    QG2  ILE  30           QG2      ILE  30  -2.396   0.866   6.645
  320    QD1  ILE  30           QD1      ILE  30  -4.740  -1.602   6.742
  321    H    PHE  31           H        PHE  31  -2.922   1.054   2.436
  322    HA   PHE  31           HA       PHE  31  -0.302   2.300   2.700
  323   1HB   PHE  31          2HB       PHE  31  -1.830   0.662   0.698
  324   2HB   PHE  31          1HB       PHE  31  -0.346   1.453   0.181
  325    HD1  PHE  31          1HD       PHE  31   1.450   1.301   2.409
  326    HD2  PHE  31          2HD       PHE  31  -1.439  -1.591   1.096
  327    HE1  PHE  31          1HE       PHE  31   2.780  -0.505   3.469
  328    HE2  PHE  31          2HE       PHE  31  -0.109  -3.400   2.154
  329   1HZ   PHE  31           HZ       PHE  31   2.000  -2.856   3.340
  330    QB   PHE  31           QB       PHE  31  -1.088   1.057   0.439
  331    QG   PHE  31           QD       PHE  31   0.006  -0.145   1.753
  332    QZ   PHE  31           QE       PHE  31   1.336  -1.952   2.811
  333    QZ   PHE  31           QR       PHE  31   0.936  -1.410   2.494
  334    H    LYS  32           H        LYS  32  -3.264   2.963   0.861
  335    HA   LYS  32           HA       LYS  32  -2.167   5.179  -0.629
  336   1HB   LYS  32          2HB       LYS  32  -4.901   4.040  -0.118
  337   2HB   LYS  32          1HB       LYS  32  -4.696   5.525  -1.044
  338   1HG   LYS  32          2HG       LYS  32  -2.892   3.320  -1.843
  339   2HG   LYS  32          1HG       LYS  32  -4.605   3.020  -2.141
  340   1HD   LYS  32          2HD       LYS  32  -3.131   5.519  -3.021
  341   2HD   LYS  32          1HD       LYS  32  -3.468   4.140  -4.067
  342   1HE   LYS  32          2HE       LYS  32  -5.948   4.468  -3.404
  343   2HE   LYS  32          1HE       LYS  32  -5.439   6.063  -2.818
  344   1HZ   LYS  32          2HZ       LYS  32  -4.762   5.014  -5.511
  345   2HZ   LYS  32          1HZ       LYS  32  -6.102   6.013  -5.213
  346   3HZ   LYS  32          3HZ       LYS  32  -4.534   6.595  -4.932
  347    QB   LYS  32           QB       LYS  32  -4.799   4.783  -0.581
  348    QG   LYS  32           QG       LYS  32  -3.749   3.170  -1.992
  349    QD   LYS  32           QD       LYS  32  -3.300   4.829  -3.544
  350    QE   LYS  32           QE       LYS  32  -5.693   5.265  -3.111
  351    QZ   LYS  32           QZ       LYS  32  -5.133   5.874  -5.218
  352    H    GLN  33           H        GLN  33  -2.866   4.951   2.644
  353    HA   GLN  33           HA       GLN  33  -3.701   7.850   2.810
  354   1HB   GLN  33          2HB       GLN  33  -5.213   6.175   3.880
  355   2HB   GLN  33          1HB       GLN  33  -3.851   5.551   4.811
  356   1HG   GLN  33          2HG       GLN  33  -3.559   7.890   5.751
  357   2HG   GLN  33          1HG       GLN  33  -5.099   8.302   4.997
  358   1HE2  GLN  33          2HE2      GLN  33  -6.654   7.203   7.975
  359   2HE2  GLN  33          1HE2      GLN  33  -6.370   8.500   6.916
  360    QB   GLN  33           QB       GLN  33  -4.532   5.863   4.345
  361    QG   GLN  33           QG       GLN  33  -4.329   8.096   5.374
  362    QE2  GLN  33           QE2      GLN  33  -6.512   7.852   7.445
  363    H    TYR  34           H        TYR  34  -1.719   5.285   4.092
  364    HA   TYR  34           HA       TYR  34   0.143   6.621   5.738
  365   1HB   TYR  34          2HB       TYR  34   0.048   4.265   5.698
  366   2HB   TYR  34          1HB       TYR  34  -0.048   4.213   3.933
  367    HD1  TYR  34          1HD       TYR  34   2.043   4.604   2.585
  368    HD2  TYR  34          2HD       TYR  34   2.152   4.223   6.863
  369    HE1  TYR  34          1HE       TYR  34   4.487   4.197   2.486
  370    HE2  TYR  34          2HE       TYR  34   4.596   3.815   6.763
  371    HH   TYR  34           HH       TYR  34   6.473   4.254   5.270
  372    QB   TYR  34           QB       TYR  34   0.000   4.239   4.816
  373    QG   TYR  34           QD       TYR  34   2.097   4.413   4.724
  374    QZ   TYR  34           QE       TYR  34   4.542   4.006   4.625
  375    QR   TYR  34           QR       TYR  34   3.319   4.210   4.674
  376    H    ALA  35           H        ALA  35   0.048   6.135   2.220
  377    HA   ALA  35           HA       ALA  35   2.605   7.265   1.538
  378   1HB   ALA  35          3HB       ALA  35  -0.011   6.712   0.160
  379   2HB   ALA  35          2HB       ALA  35   1.254   7.599  -0.688
  380   3HB   ALA  35          1HB       ALA  35   1.565   5.964  -0.108
  381    QB   ALA  35           QB       ALA  35   0.936   6.758  -0.212
  382    H    ASN  36           H        ASN  36  -0.688   8.667   1.343
  383    HA   ASN  36           HA       ASN  36  -0.002  11.303   0.587
  384   1HB   ASN  36          2HB       ASN  36  -2.234   9.958   2.045
  385   2HB   ASN  36          1HB       ASN  36  -2.203  11.720   2.009
  386   1HD2  ASN  36          2HD2      ASN  36  -2.334   9.914  -1.691
  387   2HD2  ASN  36          1HD2      ASN  36  -1.301   9.282  -0.502
  388    QB   ASN  36           QB       ASN  36  -2.219  10.839   2.027
  389    QD2  ASN  36           QD2      ASN  36  -1.817   9.598  -1.096
  390    H    ASP  37           H        ASP  37  -0.443   9.984   3.882
  391    HA   ASP  37           HA       ASP  37   0.001  12.292   5.411
  392   1HB   ASP  37          2HB       ASP  37  -0.651  10.004   6.197
  393   2HB   ASP  37          1HB       ASP  37   1.023   9.495   5.970
  394    QB   ASP  37           QB       ASP  37   0.186   9.749   6.083
  395    H    ASN  38           H        ASN  38   2.308  10.420   3.615
  396    HA   ASN  38           HA       ASN  38   4.570  11.926   4.766
  397   1HB   ASN  38          2HB       ASN  38   4.158   9.313   3.388
  398   2HB   ASN  38          1HB       ASN  38   5.733  10.089   3.216
  399   1HD2  ASN  38          2HD2      ASN  38   6.668   9.567   6.610
  400   2HD2  ASN  38          1HD2      ASN  38   7.022  10.415   5.183
  401    QB   ASN  38           QB       ASN  38   4.946   9.701   3.302
  402    QD2  ASN  38           QD2      ASN  38   6.845   9.991   5.896
  403    H    GLY  39           H        GLY  39   2.722  11.460   1.831
  404   1HA   GLY  39          2HA       GLY  39   2.700  13.315   0.188
  405   2HA   GLY  39          1HA       GLY  39   4.429  13.510   0.481
  406    QA   GLY  39           QA       GLY  39   3.564  13.412   0.335
  407    H    ILE  40           H        ILE  40   2.947  10.345   0.194
  408    HA   ILE  40           HA       ILE  40   4.576   9.854  -2.249
  409    HB   ILE  40           HB       ILE  40   3.402   8.238   0.006
  410   1HG1  ILE  40          2HG1      ILE  40   5.862   7.435  -0.066
  411   2HG1  ILE  40          1HG1      ILE  40   6.111   8.808  -1.148
  412   1HG2  ILE  40          2HG2      ILE  40   3.779   7.276  -2.718
  413   2HG2  ILE  40          1HG2      ILE  40   4.795   6.403  -1.572
  414   3HG2  ILE  40          3HG2      ILE  40   3.049   6.465  -1.331
  415   1HD1  ILE  40          1HD1      ILE  40   4.669   9.192   1.455
  416   2HD1  ILE  40          3HD1      ILE  40   6.435   9.163   1.420
  417   3HD1  ILE  40          2HD1      ILE  40   5.547  10.372   0.483
  418    QG1  ILE  40           QG1      ILE  40   5.987   8.122  -0.607
  419    QG2  ILE  40           QG2      ILE  40   3.874   6.715  -1.874
  420    QD1  ILE  40           QD1      ILE  40   5.550   9.576   1.119
  421    H    ASP  41           H        ASP  41   2.585  11.367  -2.949
  422    HA   ASP  41           HA       ASP  41   0.228   9.702  -3.728
  423   1HB   ASP  41          2HB       ASP  41   0.253  12.027  -2.506
  424   2HB   ASP  41          1HB       ASP  41   0.505  12.667  -4.130
  425    QB   ASP  41           QB       ASP  41   0.379  12.347  -3.318
  426    H    GLY  42           H        GLY  42   0.830   8.639  -5.630
  427   1HA   GLY  42          2HA       GLY  42   1.023  10.273  -8.042
  428   2HA   GLY  42          1HA       GLY  42   2.488   9.363  -7.695
  429    QA   GLY  42           QA       GLY  42   1.756   9.818  -7.869
  430    H    GLU  43           H        GLU  43   2.512   7.527  -8.978
  431    HA   GLU  43           HA       GLU  43   0.084   6.337 -10.043
  432   1HB   GLU  43          2HB       GLU  43   2.913   6.201 -10.395
  433   2HB   GLU  43          1HB       GLU  43   2.357   4.558 -10.093
  434   1HG   GLU  43          2HG       GLU  43   0.797   4.659 -11.916
  435   2HG   GLU  43          1HG       GLU  43   1.047   6.395 -12.111
  436    QB   GLU  43           QB       GLU  43   2.635   5.379 -10.244
  437    QG   GLU  43           QG       GLU  43   0.922   5.527 -12.013
  438    H    TRP  44           H        TRP  44  -0.404   3.939  -9.670
  439    HA   TRP  44           HA       TRP  44   0.315   2.773  -7.034
  440   1HB   TRP  44          2HB       TRP  44  -2.291   4.133  -7.690
  441   2HB   TRP  44          1HB       TRP  44  -2.340   2.661  -6.713
  442    HD1  TRP  44           HD       TRP  44  -1.329   6.308  -6.566
  443    HE1  TRP  44          1HE       TRP  44  -0.616   6.865  -4.148
  444    HE3  TRP  44          3HE       TRP  44  -1.300   1.624  -4.593
  445    HZ2  TRP  44          2HZ       TRP  44  -0.100   5.482  -1.688
  446    HZ3  TRP  44          3HZ       TRP  44  -0.698   1.259  -2.207
  447    HH2  TRP  44           HH       TRP  44  -0.096   3.181  -0.762
  448    QB   TRP  44           QB       TRP  44  -2.316   3.397  -7.201
  449    H    THR  45           H        THR  45   0.369   0.585  -7.354
  450    HA   THR  45           HA       THR  45  -1.568  -0.672  -9.238
  451    HB   THR  45           HB       THR  45   0.139  -1.707 -10.541
  452    HG1  THR  45          1HG       THR  45   1.961  -2.204  -9.675
  453   1HG2  THR  45          2HG2      THR  45  -0.167   0.703 -11.043
  454   2HG2  THR  45          1HG2      THR  45   1.155   1.077  -9.935
  455   3HG2  THR  45          3HG2      THR  45   1.469   0.150 -11.405
  456    QG2  THR  45           QG2      THR  45   0.819   0.643 -10.794
  457    H    TYR  46           H        TYR  46  -2.274  -2.591  -8.413
  458    HA   TYR  46           HA       TYR  46  -0.954  -3.606  -5.943
  459   1HB   TYR  46          2HB       TYR  46  -3.315  -3.132  -5.768
  460   2HB   TYR  46          1HB       TYR  46  -3.664  -4.039  -7.242
  461    HD1  TYR  46          1HD       TYR  46  -1.651  -4.737  -4.145
  462    HD2  TYR  46          2HD       TYR  46  -4.781  -6.040  -6.781
  463    HE1  TYR  46          1HE       TYR  46  -1.900  -6.819  -2.822
  464    HE2  TYR  46          2HE       TYR  46  -5.028  -8.122  -5.456
  465    HH   TYR  46           HH       TYR  46  -3.192  -9.473  -3.794
  466    QB   TYR  46           QB       TYR  46  -3.490  -3.586  -6.505
  467    QG   TYR  46           QD       TYR  46  -3.216  -5.388  -5.463
  468    QZ   TYR  46           QE       TYR  46  -3.464  -7.470  -4.139
  469    QR   TYR  46           QR       TYR  46  -3.340  -6.429  -4.801
  470    H    ASP  47           H        ASP  47  -0.163  -5.729  -5.831
  471    HA   ASP  47           HA       ASP  47  -0.034  -7.238  -8.420
  472   1HB   ASP  47          2HB       ASP  47   1.853  -7.112  -6.041
  473   2HB   ASP  47          1HB       ASP  47   2.098  -8.127  -7.460
  474    QB   ASP  47           QB       ASP  47   1.975  -7.619  -6.750
  475    H    ASP  48           H        ASP  48  -1.837  -8.593  -8.118
  476    HA   ASP  48           HA       ASP  48  -2.521  -9.868  -5.627
  477   1HB   ASP  48          2HB       ASP  48  -4.049 -11.167  -7.099
  478   2HB   ASP  48          1HB       ASP  48  -4.106  -9.440  -7.450
  479    QB   ASP  48           QB       ASP  48  -4.078 -10.303  -7.274
  480    H    ALA  49           H        ALA  49   0.053 -10.508  -7.740
  481    HA   ALA  49           HA       ALA  49   0.113 -13.424  -7.264
  482   1HB   ALA  49          1HB       ALA  49   0.803 -11.856  -9.363
  483   2HB   ALA  49          3HB       ALA  49   2.360 -11.945  -8.540
  484   3HB   ALA  49          2HB       ALA  49   1.553 -13.424  -9.063
  485    QB   ALA  49           QB       ALA  49   1.572 -12.408  -8.989
  486    H    THR  50           H        THR  50   1.602 -10.439  -6.137
  487    HA   THR  50           HA       THR  50   3.305 -12.045  -4.259
  488    HB   THR  50           HB       THR  50   4.858 -10.096  -4.402
  489    HG1  THR  50          1HG       THR  50   4.407  -8.534  -5.985
  490   1HG2  THR  50          3HG2      THR  50   4.782 -12.129  -6.053
  491   2HG2  THR  50          2HG2      THR  50   4.237 -10.926  -7.222
  492   3HG2  THR  50          1HG2      THR  50   5.807 -10.746  -6.436
  493    QG2  THR  50           QG2      THR  50   4.942 -11.267  -6.570
  494    H    LYS  51           H        LYS  51   0.521 -10.262  -4.379
  495    HA   LYS  51           HA       LYS  51  -0.700  -9.018  -2.790
  496   1HB   LYS  51          2HB       LYS  51   1.324 -10.355  -0.958
  497   2HB   LYS  51          1HB       LYS  51  -0.224  -9.676  -0.457
  498   1HG   LYS  51          2HG       LYS  51  -0.004 -11.851  -2.549
  499   2HG   LYS  51          1HG       LYS  51  -0.193 -12.201  -0.831
  500   1HD   LYS  51          2HD       LYS  51  -2.250 -10.732  -0.848
  501   2HD   LYS  51          1HD       LYS  51  -2.103 -10.660  -2.605
  502   1HE   LYS  51          2HE       LYS  51  -2.607 -12.934  -2.875
  503   2HE   LYS  51          1HE       LYS  51  -2.130 -13.335  -1.212
  504   1HZ   LYS  51          3HZ       LYS  51  -3.973 -12.005  -0.395
  505   2HZ   LYS  51          2HZ       LYS  51  -4.440 -11.630  -1.984
  506   3HZ   LYS  51          1HZ       LYS  51  -4.543 -13.230  -1.420
  507    QB   LYS  51           QB       LYS  51   0.550 -10.016  -0.707
  508    QG   LYS  51           QG       LYS  51  -0.099 -12.026  -1.690
  509    QD   LYS  51           QD       LYS  51  -2.177 -10.696  -1.726
  510    QE   LYS  51           QE       LYS  51  -2.369 -13.134  -2.044
  511    QZ   LYS  51           QZ       LYS  51  -4.319 -12.288  -1.266
  512    H    THR  52           H        THR  52   1.460  -7.651  -4.122
  513    HA   THR  52           HA       THR  52   2.263  -5.720  -1.955
  514    HB   THR  52           HB       THR  52   3.877  -6.516  -4.394
  515    HG1  THR  52          1HG       THR  52   4.977  -7.875  -3.037
  516   1HG2  THR  52          2HG2      THR  52   4.541  -5.015  -1.847
  517   2HG2  THR  52          1HG2      THR  52   5.726  -5.497  -3.062
  518   3HG2  THR  52          3HG2      THR  52   4.462  -4.338  -3.474
  519    QG2  THR  52           QG2      THR  52   4.910  -4.950  -2.794
  520    H    PHE  53           H        PHE  53   2.050  -3.534  -2.493
  521    HA   PHE  53           HA       PHE  53   0.658  -2.930  -5.051
  522   1HB   PHE  53          2HB       PHE  53   1.072  -1.467  -2.434
  523   2HB   PHE  53          1HB       PHE  53   0.236  -0.748  -3.809
  524    HD1  PHE  53          2HD       PHE  53   0.172  -3.638  -1.444
  525    HD2  PHE  53          1HD       PHE  53  -2.039  -1.285  -4.288
  526    HE1  PHE  53          2HE       PHE  53  -1.929  -4.798  -0.778
  527    HE2  PHE  53          1HE       PHE  53  -4.122  -2.446  -3.621
  528   1HZ   PHE  53           HZ       PHE  53  -4.068  -4.200  -1.871
  529    QB   PHE  53           QB       PHE  53   0.654  -1.108  -3.121
  530    QG   PHE  53           QD       PHE  53  -0.934  -2.461  -2.866
  531    QZ   PHE  53           QE       PHE  53  -3.025  -3.622  -2.200
  532    QZ   PHE  53           QR       PHE  53  -2.397  -3.273  -2.400
  533    H    THR  54           H        THR  54   1.404  -0.297  -5.589
  534    HA   THR  54           HA       THR  54   4.330  -0.011  -5.398
  535    HB   THR  54           HB       THR  54   3.143  -0.136  -8.159
  536    HG1  THR  54          1HG       THR  54   2.733  -2.163  -7.834
  537   1HG2  THR  54          3HG2      THR  54   5.867  -0.527  -6.924
  538   2HG2  THR  54          2HG2      THR  54   5.520  -0.970  -8.595
  539   3HG2  THR  54          1HG2      THR  54   5.360   0.707  -8.077
  540    QG2  THR  54           QG2      THR  54   5.582  -0.263  -7.865
  541    H    VAL  55           H        VAL  55   4.052   2.063  -4.608
  542    HA   VAL  55           HA       VAL  55   2.289   3.876  -6.166
  543    HB   VAL  55           HB       VAL  55   1.651   3.690  -3.866
  544   1HG1  VAL  55          2HG1      VAL  55   4.559   4.248  -3.224
  545   2HG1  VAL  55          1HG1      VAL  55   3.259   4.279  -2.032
  546   3HG1  VAL  55          3HG1      VAL  55   3.637   2.777  -2.876
  547   1HG2  VAL  55          2HG2      VAL  55   3.207   6.251  -4.313
  548   2HG2  VAL  55          1HG2      VAL  55   1.522   5.960  -4.735
  549   3HG2  VAL  55          3HG2      VAL  55   2.008   6.017  -3.040
  550    QG1  VAL  55           QG1      VAL  55   3.818   3.768  -2.710
  551    QG2  VAL  55           QG2      VAL  55   2.246   6.076  -4.029
  552    QQG  VAL  55           QQG      VAL  55   3.032   4.922  -3.370
  553    H    THR  56           H        THR  56   3.384   4.902  -7.694
  554    HA   THR  56           HA       THR  56   6.197   5.741  -7.279
  555    HB   THR  56           HB       THR  56   4.324   5.107  -9.488
  556    HG1  THR  56          1HG       THR  56   5.921   3.786  -9.601
  557   1HG2  THR  56          2HG2      THR  56   6.232   7.436  -9.753
  558   2HG2  THR  56          1HG2      THR  56   5.779   6.450 -11.144
  559   3HG2  THR  56          3HG2      THR  56   4.539   7.339 -10.252
  560    QG2  THR  56           QG2      THR  56   5.516   7.075 -10.383
  561    H    GLU  57           H        GLU  57   6.064   7.554  -5.894
  562    HA   GLU  57           HA       GLU  57   4.054   9.570  -5.908
  563   1HB   GLU  57          2HB       GLU  57   5.969   9.011  -4.249
  564   2HB   GLU  57          1HB       GLU  57   6.975  10.036  -5.273
  565   1HG   GLU  57          2HG       GLU  57   4.322  10.986  -4.186
  566   2HG   GLU  57          1HG       GLU  57   5.825  11.179  -3.282
  567    QB   GLU  57           QB       GLU  57   6.472   9.524  -4.761
  568    QG   GLU  57           QG       GLU  57   5.074  11.082  -3.734
   
  No H/Q in entry =         568
  Start of MODEL   34
    1   1H    MET   1          1HT       MET   1  -2.818 -15.810   6.713
    2   2H    MET   1          3HT       MET   1  -1.141 -15.895   6.474
    3   3H    MET   1          2HT       MET   1  -1.796 -16.212   8.009
    4    HA   MET   1           HA       MET   1  -2.444 -13.939   8.298
    5   1HB   MET   1          2HB       MET   1   0.307 -14.750   7.474
    6   2HB   MET   1          1HB       MET   1   0.023 -13.028   7.723
    7   1HG   MET   1          2HG       MET   1  -0.950 -14.985   9.780
    8   2HG   MET   1          1HG       MET   1   0.754 -14.536   9.755
    9   1HE   MET   1          2HE       MET   1  -1.422 -14.455  11.717
   10   2HE   MET   1          1HE       MET   1  -0.583 -13.220  12.653
   11   3HE   MET   1          3HE       MET   1  -2.235 -12.936  12.088
   12    QB   MET   1           QB       MET   1   0.165 -13.889   7.598
   13    QG   MET   1           QG       MET   1  -0.098 -14.761   9.767
   14    QE   MET   1           QE       MET   1  -1.413 -13.537  12.153
   15    H    THR   2           H        THR   2  -2.318 -11.703   7.385
   16    HA   THR   2           HA       THR   2  -2.448 -11.673   4.386
   17    HB   THR   2           HB       THR   2  -4.142 -10.115   6.364
   18    HG1  THR   2          1HG       THR   2  -4.762 -12.209   6.526
   19   1HG2  THR   2          1HG2      THR   2  -4.016 -10.342   3.374
   20   2HG2  THR   2          3HG2      THR   2  -5.562 -10.011   4.154
   21   3HG2  THR   2          2HG2      THR   2  -4.208  -8.902   4.374
   22    QG2  THR   2           QG2      THR   2  -4.595  -9.751   3.968
   23    H    THR   3           H        THR   3  -0.108 -11.024   5.934
   24    HA   THR   3           HA       THR   3   0.127  -8.184   6.424
   25    HB   THR   3           HB       THR   3   2.350 -10.106   5.709
   26    HG1  THR   3          1HG       THR   3   1.934 -11.199   7.442
   27   1HG2  THR   3          2HG2      THR   3   2.566  -7.537   6.304
   28   2HG2  THR   3          1HG2      THR   3   2.376  -8.128   7.955
   29   3HG2  THR   3          3HG2      THR   3   3.710  -8.707   6.959
   30    QG2  THR   3           QG2      THR   3   2.884  -8.124   7.073
   31    H    PHE   4           H        PHE   4  -0.737  -7.212   4.454
   32    HA   PHE   4           HA       PHE   4   0.433  -7.748   1.842
   33   1HB   PHE   4          2HB       PHE   4  -1.487  -5.820   3.093
   34   2HB   PHE   4          1HB       PHE   4  -0.824  -5.419   1.509
   35    HD1  PHE   4          1HD       PHE   4  -0.829  -7.400  -0.244
   36    HD2  PHE   4          2HD       PHE   4  -3.383  -7.180   3.200
   37    HE1  PHE   4          1HE       PHE   4  -2.403  -8.987  -1.312
   38    HE2  PHE   4          2HE       PHE   4  -4.960  -8.764   2.127
   39   1HZ   PHE   4           HZ       PHE   4  -4.470  -9.671  -0.127
   40    QB   PHE   4           QB       PHE   4  -1.156  -5.619   2.301
   41    QG   PHE   4           QD       PHE   4  -2.106  -7.290   1.478
   42    QZ   PHE   4           QE       PHE   4  -3.681  -8.876   0.407
   43    QZ   PHE   4           QR       PHE   4  -3.209  -8.400   0.728
   44    H    LYS   5           H        LYS   5   2.096  -6.631   0.821
   45    HA   LYS   5           HA       LYS   5   3.604  -4.652   2.488
   46   1HB   LYS   5          2HB       LYS   5   4.409  -6.379   0.118
   47   2HB   LYS   5          1HB       LYS   5   5.499  -5.346   1.042
   48   1HG   LYS   5          2HG       LYS   5   5.872  -7.182   2.322
   49   2HG   LYS   5          1HG       LYS   5   4.293  -6.840   3.029
   50   1HD   LYS   5          2HD       LYS   5   4.043  -9.066   2.366
   51   2HD   LYS   5          1HD       LYS   5   3.386  -8.203   0.974
   52   1HE   LYS   5          2HE       LYS   5   5.257  -8.650  -0.356
   53   2HE   LYS   5          1HE       LYS   5   6.324  -8.864   1.048
   54   1HZ   LYS   5          2HZ       LYS   5   4.935 -10.814   1.659
   55   2HZ   LYS   5          1HZ       LYS   5   4.135 -10.669   0.167
   56   3HZ   LYS   5          3HZ       LYS   5   5.794 -11.020   0.207
   57    QB   LYS   5           QB       LYS   5   4.954  -5.863   0.580
   58    QG   LYS   5           QG       LYS   5   5.082  -7.011   2.675
   59    QD   LYS   5           QD       LYS   5   3.714  -8.635   1.670
   60    QE   LYS   5           QE       LYS   5   5.791  -8.757   0.346
   61    QZ   LYS   5           QZ       LYS   5   4.955 -10.835   0.678
   62    H    LEU   6           H        LEU   6   4.954  -3.145   0.834
   63    HA   LEU   6           HA       LEU   6   3.408  -2.338  -1.547
   64   1HB   LEU   6          2HB       LEU   6   2.414  -1.367   0.672
   65   2HB   LEU   6          1HB       LEU   6   3.825  -0.322   0.660
   66    HG   LEU   6           HG       LEU   6   1.398  -0.254  -1.060
   67   1HD1  LEU   6          2HD1      LEU   6   2.459   1.416   0.738
   68   2HD1  LEU   6          1HD1      LEU   6   3.278   2.028  -0.695
   69   3HD1  LEU   6          3HD1      LEU   6   1.518   1.998  -0.633
   70   1HD2  LEU   6          2HD2      LEU   6   4.121   0.492  -2.200
   71   2HD2  LEU   6          1HD2      LEU   6   3.100  -0.823  -2.778
   72   3HD2  LEU   6          3HD2      LEU   6   2.564   0.847  -2.947
   73    QB   LEU   6           QB       LEU   6   3.119  -0.844   0.666
   74    QD1  LEU   6           QD1      LEU   6   2.418   1.814  -0.197
   75    QD2  LEU   6           QD2      LEU   6   3.262   0.172  -2.642
   76    QQD  LEU   6           QQD      LEU   6   2.840   0.993  -1.419
   77    H    ILE   7           H        ILE   7   5.099  -2.050  -2.984
   78    HA   ILE   7           HA       ILE   7   7.737  -1.111  -2.073
   79    HB   ILE   7           HB       ILE   7   6.560  -1.643  -4.829
   80   1HG1  ILE   7          2HG1      ILE   7   6.599  -3.653  -3.391
   81   2HG1  ILE   7          1HG1      ILE   7   7.784  -3.786  -4.686
   82   1HG2  ILE   7          3HG2      ILE   7   9.218  -0.728  -3.865
   83   2HG2  ILE   7          2HG2      ILE   7   9.235  -1.989  -5.101
   84   3HG2  ILE   7          1HG2      ILE   7   8.424  -0.454  -5.419
   85   1HD1  ILE   7          2HD1      ILE   7   9.539  -2.967  -3.084
   86   2HD1  ILE   7          1HD1      ILE   7   8.331  -3.028  -1.800
   87   3HD1  ILE   7          3HD1      ILE   7   8.828  -4.512  -2.615
   88    QG1  ILE   7           QG1      ILE   7   7.192  -3.719  -4.038
   89    QG2  ILE   7           QG2      ILE   7   8.959  -1.057  -4.795
   90    QD1  ILE   7           QD1      ILE   7   8.899  -3.502  -2.500
   91    H    ILE   8           H        ILE   8   8.120   1.069  -1.859
   92    HA   ILE   8           HA       ILE   8   6.133   2.945  -2.943
   93    HB   ILE   8           HB       ILE   8   8.641   3.609  -1.408
   94   1HG1  ILE   8          2HG1      ILE   8   7.223   1.781  -0.261
   95   2HG1  ILE   8          1HG1      ILE   8   7.549   3.224   0.678
   96   1HG2  ILE   8          1HG2      ILE   8   6.160   4.995  -2.224
   97   2HG2  ILE   8          3HG2      ILE   8   6.677   5.290  -0.562
   98   3HG2  ILE   8          2HG2      ILE   8   7.771   5.647  -1.898
   99   1HD1  ILE   8          3HD1      ILE   8   5.110   3.482  -0.902
  100   2HD1  ILE   8          2HD1      ILE   8   5.044   2.108   0.201
  101   3HD1  ILE   8          1HD1      ILE   8   5.358   3.729   0.827
  102    QG1  ILE   8           QG1      ILE   8   7.386   2.503   0.208
  103    QG2  ILE   8           QG2      ILE   8   6.869   5.311  -1.561
  104    QD1  ILE   8           QD1      ILE   8   5.171   3.106   0.042
  105    H    ASN   9           H        ASN   9   6.420   3.556  -5.052
  106    HA   ASN   9           HA       ASN   9   9.174   3.815  -6.159
  107   1HB   ASN   9          2HB       ASN   9   7.329   2.520  -7.292
  108   2HB   ASN   9          1HB       ASN   9   6.451   4.038  -7.484
  109   1HD2  ASN   9          2HD2      ASN   9   8.553   5.237 -10.099
  110   2HD2  ASN   9          1HD2      ASN   9   7.384   5.671  -8.947
  111    QB   ASN   9           QB       ASN   9   6.890   3.279  -7.388
  112    QD2  ASN   9           QD2      ASN   9   7.969   5.454  -9.523
  113    H    GLY  10           H        GLY  10   9.837   5.825  -7.156
  114   1HA   GLY  10          2HA       GLY  10   9.097   8.153  -7.833
  115   2HA   GLY  10          1HA       GLY  10   8.236   8.205  -6.295
  116    QA   GLY  10           QA       GLY  10   8.667   8.179  -7.064
  117    H    LYS  11           H        LYS  11   9.380   9.894  -5.334
  118    HA   LYS  11           HA       LYS  11  12.248   9.311  -4.694
  119   1HB   LYS  11          2HB       LYS  11  12.685  11.734  -5.068
  120   2HB   LYS  11          1HB       LYS  11  12.094  10.941  -6.528
  121   1HG   LYS  11          2HG       LYS  11   9.799  11.744  -6.009
  122   2HG   LYS  11          1HG       LYS  11  10.432  12.589  -4.596
  123   1HD   LYS  11          2HD       LYS  11  11.832  13.142  -7.152
  124   2HD   LYS  11          1HD       LYS  11  10.181  13.750  -7.039
  125   1HE   LYS  11          2HE       LYS  11  11.158  14.470  -4.583
  126   2HE   LYS  11          1HE       LYS  11  12.603  14.644  -5.601
  127   1HZ   LYS  11          1HZ       LYS  11   9.931  15.672  -6.380
  128   2HZ   LYS  11          3HZ       LYS  11  11.085  16.624  -5.583
  129   3HZ   LYS  11          2HZ       LYS  11  11.423  15.997  -7.125
  130    QB   LYS  11           QB       LYS  11  12.390  11.338  -5.798
  131    QG   LYS  11           QG       LYS  11  10.115  12.166  -5.302
  132    QD   LYS  11           QD       LYS  11  11.007  13.446  -7.096
  133    QE   LYS  11           QE       LYS  11  11.881  14.557  -5.092
  134    QZ   LYS  11           QZ       LYS  11  10.813  16.097  -6.363
  135    H    THR  12           H        THR  12   9.514   9.200  -3.214
  136    HA   THR  12           HA       THR  12  10.387  10.809  -0.841
  137    HB   THR  12           HB       THR  12   7.513  10.320  -1.624
  138    HG1  THR  12          1HG       THR  12   7.667  12.466  -2.539
  139   1HG2  THR  12          2HG2      THR  12   7.993  11.097   0.667
  140   2HG2  THR  12          1HG2      THR  12   8.891  12.466   0.015
  141   3HG2  THR  12          3HG2      THR  12   7.153  12.341  -0.258
  142    QG2  THR  12           QG2      THR  12   8.012  11.968   0.141
  143    H    LEU  13           H        LEU  13  11.003   9.283   0.614
  144    HA   LEU  13           HA       LEU  13  10.933   7.430   2.029
  145   1HB   LEU  13          2HB       LEU  13   8.916   7.332   3.084
  146   2HB   LEU  13          1HB       LEU  13   8.432   8.589   1.960
  147    HG   LEU  13           HG       LEU  13   7.801   6.565   0.413
  148   1HD1  LEU  13          1HD1      LEU  13   7.918   5.346   3.175
  149   2HD1  LEU  13          3HD1      LEU  13   6.912   4.677   1.886
  150   3HD1  LEU  13          2HD1      LEU  13   8.666   4.743   1.696
  151   1HD2  LEU  13          3HD2      LEU  13   6.372   8.292   1.876
  152   2HD2  LEU  13          2HD2      LEU  13   5.607   6.949   1.025
  153   3HD2  LEU  13          1HD2      LEU  13   5.961   6.815   2.747
  154    QB   LEU  13           QB       LEU  13   8.674   7.961   2.522
  155    QD1  LEU  13           QD1      LEU  13   7.832   4.922   2.252
  156    QD2  LEU  13           QD2      LEU  13   5.980   7.352   1.883
  157    QQD  LEU  13           QQD      LEU  13   6.906   6.137   2.068
  158    H    LYS  14           H        LYS  14  11.433   5.273   1.747
  159    HA   LYS  14           HA       LYS  14  10.392   3.865  -0.625
  160   1HB   LYS  14          2HB       LYS  14  12.723   3.218  -1.204
  161   2HB   LYS  14          1HB       LYS  14  12.487   4.965  -1.265
  162   1HG   LYS  14          2HG       LYS  14  13.466   5.201   0.971
  163   2HG   LYS  14          1HG       LYS  14  13.652   3.451   1.092
  164   1HD   LYS  14          2HD       LYS  14  15.787   4.275   0.418
  165   2HD   LYS  14          1HD       LYS  14  15.058   3.594  -1.038
  166   1HE   LYS  14          2HE       LYS  14  14.324   5.849  -1.738
  167   2HE   LYS  14          1HE       LYS  14  15.061   6.538  -0.278
  168   1HZ   LYS  14          1HZ       LYS  14  16.534   4.859  -2.233
  169   2HZ   LYS  14          3HZ       LYS  14  16.543   6.554  -2.266
  170   3HZ   LYS  14          2HZ       LYS  14  17.187   5.728  -0.927
  171    QB   LYS  14           QB       LYS  14  12.605   4.092  -1.235
  172    QG   LYS  14           QG       LYS  14  13.559   4.326   1.032
  173    QD   LYS  14           QD       LYS  14  15.422   3.934  -0.310
  174    QE   LYS  14           QE       LYS  14  14.692   6.194  -1.008
  175    QZ   LYS  14           QZ       LYS  14  16.755   5.714  -1.809
  176    H    GLY  15           H        GLY  15  10.050   1.673  -0.260
  177   1HA   GLY  15          2HA       GLY  15  11.379  -0.161   1.257
  178   2HA   GLY  15          1HA       GLY  15  10.465   0.706   2.490
  179    QA   GLY  15           QA       GLY  15  10.922   0.273   1.873
  180    H    GLU  16           H        GLU  16   9.681  -1.722   2.545
  181    HA   GLU  16           HA       GLU  16   7.485  -2.194   0.582
  182   1HB   GLU  16          2HB       GLU  16   9.261  -3.787   2.349
  183   2HB   GLU  16          1HB       GLU  16   7.618  -4.403   2.168
  184   1HG   GLU  16          2HG       GLU  16   7.863  -4.309  -0.295
  185   2HG   GLU  16          1HG       GLU  16   9.518  -3.734  -0.099
  186    QB   GLU  16           QB       GLU  16   8.439  -4.095   2.258
  187    QG   GLU  16           QG       GLU  16   8.691  -4.022  -0.197
  188    H    ILE  17           H        ILE  17   8.100  -1.967   4.091
  189    HA   ILE  17           HA       ILE  17   6.633  -1.599   5.904
  190    HB   ILE  17           HB       ILE  17   5.079  -0.281   3.648
  191   1HG1  ILE  17          2HG1      ILE  17   6.764   1.243   5.583
  192   2HG1  ILE  17          1HG1      ILE  17   7.609   0.328   4.335
  193   1HG2  ILE  17          3HG2      ILE  17   4.905  -0.115   6.659
  194   2HG2  ILE  17          2HG2      ILE  17   4.336   1.200   5.631
  195   3HG2  ILE  17          1HG2      ILE  17   3.605  -0.400   5.503
  196   1HD1  ILE  17          3HD1      ILE  17   5.333   2.233   3.739
  197   2HD1  ILE  17          2HD1      ILE  17   7.031   2.708   3.690
  198   3HD1  ILE  17          1HD1      ILE  17   6.428   1.477   2.582
  199    QG1  ILE  17           QG1      ILE  17   7.187   0.786   4.959
  200    QG2  ILE  17           QG2      ILE  17   4.282   0.229   5.931
  201    QD1  ILE  17           QD1      ILE  17   6.264   2.140   3.337
  202    H    THR  18           H        THR  18   6.276  -4.053   5.724
  203    HA   THR  18           HA       THR  18   3.876  -5.085   4.469
  204    HB   THR  18           HB       THR  18   4.461  -7.097   5.788
  205    HG1  THR  18          1HG       THR  18   5.042  -6.106   7.707
  206   1HG2  THR  18          1HG2      THR  18   6.072  -5.833   3.878
  207   2HG2  THR  18          3HG2      THR  18   7.192  -6.321   5.152
  208   3HG2  THR  18          2HG2      THR  18   6.163  -7.522   4.373
  209    QG2  THR  18           QG2      THR  18   6.476  -6.558   4.468
  210    H    ILE  19           H        ILE  19   1.799  -5.033   5.254
  211    HA   ILE  19           HA       ILE  19   1.369  -4.601   8.178
  212    HB   ILE  19           HB       ILE  19  -0.273  -2.824   7.629
  213   1HG1  ILE  19          2HG1      ILE  19   0.234  -1.974   5.100
  214   2HG1  ILE  19          1HG1      ILE  19   0.389  -3.714   4.870
  215   1HG2  ILE  19          2HG2      ILE  19   2.276  -2.445   7.960
  216   2HG2  ILE  19          1HG2      ILE  19   2.301  -2.135   6.224
  217   3HG2  ILE  19          3HG2      ILE  19   1.318  -1.126   7.285
  218   1HD1  ILE  19          1HD1      ILE  19  -1.853  -3.798   6.256
  219   2HD1  ILE  19          3HD1      ILE  19  -2.008  -2.123   5.725
  220   3HD1  ILE  19          2HD1      ILE  19  -1.897  -3.420   4.533
  221    QG1  ILE  19           QG1      ILE  19   0.311  -2.844   4.985
  222    QG2  ILE  19           QG2      ILE  19   1.965  -1.902   7.156
  223    QD1  ILE  19           QD1      ILE  19  -1.920  -3.114   5.505
  224    H    GLU  20           H        GLU  20  -0.311  -5.819   8.964
  225    HA   GLU  20           HA       GLU  20  -1.637  -7.751   7.237
  226   1HB   GLU  20          2HB       GLU  20  -2.725  -8.392   9.385
  227   2HB   GLU  20          1HB       GLU  20  -0.979  -8.225   9.558
  228   1HG   GLU  20          2HG       GLU  20  -1.150  -6.248  10.778
  229   2HG   GLU  20          1HG       GLU  20  -2.727  -5.844  10.103
  230    QB   GLU  20           QB       GLU  20  -1.852  -8.308   9.471
  231    QG   GLU  20           QG       GLU  20  -1.938  -6.046  10.441
  232    H    ALA  21           H        ALA  21  -3.973  -7.884   6.915
  233    HA   ALA  21           HA       ALA  21  -5.742  -5.690   7.645
  234   1HB   ALA  21          2HB       ALA  21  -4.452  -5.853   4.915
  235   2HB   ALA  21          1HB       ALA  21  -5.991  -5.027   5.154
  236   3HB   ALA  21          3HB       ALA  21  -4.549  -4.462   5.995
  237    QB   ALA  21           QB       ALA  21  -4.997  -5.114   5.355
  238    H    VAL  22           H        VAL  22  -7.924  -6.021   6.698
  239    HA   VAL  22           HA       VAL  22  -8.848  -8.676   6.730
  240    HB   VAL  22           HB       VAL  22 -10.222  -6.653   7.044
  241   1HG1  VAL  22          1HG1      VAL  22  -8.968  -5.456   5.101
  242   2HG1  VAL  22          3HG1      VAL  22 -10.166  -6.225   4.060
  243   3HG1  VAL  22          2HG1      VAL  22 -10.684  -5.110   5.325
  244   1HG2  VAL  22          2HG2      VAL  22 -11.095  -8.350   4.684
  245   2HG2  VAL  22          1HG2      VAL  22 -11.376  -8.717   6.386
  246   3HG2  VAL  22          3HG2      VAL  22 -12.163  -7.325   5.640
  247    QG1  VAL  22           QG1      VAL  22  -9.939  -5.597   4.829
  248    QG2  VAL  22           QG2      VAL  22 -11.545  -8.131   5.570
  249    QQG  VAL  22           QQG      VAL  22 -10.742  -6.864   5.199
  250    H    ASP  23           H        ASP  23  -7.853  -6.662   3.987
  251    HA   ASP  23           HA       ASP  23  -7.335  -9.039   2.336
  252   1HB   ASP  23          2HB       ASP  23  -9.750  -7.317   2.115
  253   2HB   ASP  23          1HB       ASP  23  -8.946  -7.702   0.593
  254    QB   ASP  23           QB       ASP  23  -9.348  -7.510   1.354
  255    H    ALA  24           H        ALA  24  -6.708  -8.096  -0.009
  256    HA   ALA  24           HA       ALA  24  -4.521  -6.272   0.384
  257   1HB   ALA  24          2HB       ALA  24  -5.230  -8.084  -1.490
  258   2HB   ALA  24          1HB       ALA  24  -5.740  -6.611  -2.315
  259   3HB   ALA  24          3HB       ALA  24  -4.061  -6.801  -1.808
  260    QB   ALA  24           QB       ALA  24  -5.010  -7.165  -1.871
  261    H    ALA  25           H        ALA  25  -7.853  -5.851  -0.760
  262    HA   ALA  25           HA       ALA  25  -7.770  -3.241  -1.794
  263   1HB   ALA  25          3HB       ALA  25  -9.688  -4.904  -1.703
  264   2HB   ALA  25          2HB       ALA  25  -9.940  -4.409  -0.029
  265   3HB   ALA  25          1HB       ALA  25 -10.143  -3.241  -1.334
  266    QB   ALA  25           QB       ALA  25  -9.924  -4.185  -1.022
  267    H    GLU  26           H        GLU  26  -8.336  -4.254   1.580
  268    HA   GLU  26           HA       GLU  26  -8.484  -1.629   2.723
  269   1HB   GLU  26          2HB       GLU  26  -9.085  -3.985   3.643
  270   2HB   GLU  26          1HB       GLU  26  -7.382  -4.097   4.082
  271   1HG   GLU  26          2HG       GLU  26  -8.138  -3.128   6.021
  272   2HG   GLU  26          1HG       GLU  26  -7.921  -1.651   5.080
  273    QB   GLU  26           QB       GLU  26  -8.233  -4.041   3.863
  274    QG   GLU  26           QG       GLU  26  -8.030  -2.389   5.551
  275    H    ALA  27           H        ALA  27  -5.738  -3.905   2.360
  276    HA   ALA  27           HA       ALA  27  -3.693  -2.413   3.613
  277   1HB   ALA  27          2HB       ALA  27  -3.477  -4.716   2.728
  278   2HB   ALA  27          1HB       ALA  27  -3.580  -4.093   1.079
  279   3HB   ALA  27          3HB       ALA  27  -2.198  -3.678   2.093
  280    QB   ALA  27           QB       ALA  27  -3.085  -4.162   1.967
  281    H    GLU  28           H        GLU  28  -4.877  -2.217   0.246
  282    HA   GLU  28           HA       GLU  28  -3.074  -0.241  -0.728
  283   1HB   GLU  28          2HB       GLU  28  -4.909  -1.706  -1.878
  284   2HB   GLU  28          1HB       GLU  28  -5.995  -0.375  -1.475
  285   1HG   GLU  28          2HG       GLU  28  -4.018   1.071  -2.544
  286   2HG   GLU  28          1HG       GLU  28  -3.709  -0.437  -3.406
  287    QB   GLU  28           QB       GLU  28  -5.452  -1.041  -1.677
  288    QG   GLU  28           QG       GLU  28  -3.864   0.317  -2.975
  289    H    LYS  29           H        LYS  29  -6.071   0.044   1.162
  290    HA   LYS  29           HA       LYS  29  -6.267   2.941   1.016
  291   1HB   LYS  29          2HB       LYS  29  -7.276   0.959   3.092
  292   2HB   LYS  29          1HB       LYS  29  -7.878   2.598   2.856
  293   1HG   LYS  29          2HG       LYS  29  -7.949   0.460   0.713
  294   2HG   LYS  29          1HG       LYS  29  -9.303   0.822   1.778
  295   1HD   LYS  29          2HD       LYS  29  -7.957   2.834  -0.043
  296   2HD   LYS  29          1HD       LYS  29  -9.462   1.994  -0.413
  297   1HE   LYS  29          2HE       LYS  29 -10.429   2.949   1.724
  298   2HE   LYS  29          1HE       LYS  29  -8.966   3.946   1.857
  299   1HZ   LYS  29          1HZ       LYS  29  -9.373   4.781  -0.376
  300   2HZ   LYS  29          3HZ       LYS  29 -10.785   3.847  -0.492
  301   3HZ   LYS  29          2HZ       LYS  29 -10.698   5.117   0.633
  302    QB   LYS  29           QB       LYS  29  -7.577   1.778   2.974
  303    QG   LYS  29           QG       LYS  29  -8.626   0.641   1.246
  304    QD   LYS  29           QD       LYS  29  -8.709   2.414  -0.228
  305    QE   LYS  29           QE       LYS  29  -9.697   3.448   1.791
  306    QZ   LYS  29           QZ       LYS  29 -10.285   4.582  -0.078
  307    H    ILE  30           H        ILE  30  -5.159   0.707   3.581
  308    HA   ILE  30           HA       ILE  30  -4.124   2.634   5.404
  309    HB   ILE  30           HB       ILE  30  -3.243  -0.208   4.750
  310   1HG1  ILE  30          2HG1      ILE  30  -4.992   0.613   7.057
  311   2HG1  ILE  30          1HG1      ILE  30  -5.702   0.388   5.459
  312   1HG2  ILE  30          2HG2      ILE  30  -1.877   1.565   6.342
  313   2HG2  ILE  30          1HG2      ILE  30  -2.970   0.828   7.512
  314   3HG2  ILE  30          3HG2      ILE  30  -1.872  -0.184   6.574
  315   1HD1  ILE  30          2HD1      ILE  30  -3.856  -1.760   6.333
  316   2HD1  ILE  30          1HD1      ILE  30  -5.358  -1.635   7.249
  317   3HD1  ILE  30          3HD1      ILE  30  -5.409  -1.876   5.503
  318    QG1  ILE  30           QG1      ILE  30  -5.347   0.500   6.258
  319    QG2  ILE  30           QG2      ILE  30  -2.240   0.736   6.809
  320    QD1  ILE  30           QD1      ILE  30  -4.874  -1.757   6.362
  321    H    PHE  31           H        PHE  31  -2.736   1.091   2.549
  322    HA   PHE  31           HA       PHE  31  -0.072   2.238   2.878
  323   1HB   PHE  31          2HB       PHE  31  -1.627   0.704   0.806
  324   2HB   PHE  31          1HB       PHE  31  -0.106   1.461   0.342
  325    HD1  PHE  31          1HD       PHE  31   1.632   1.180   2.609
  326    HD2  PHE  31          2HD       PHE  31  -1.307  -1.573   1.124
  327    HE1  PHE  31          1HE       PHE  31   2.878  -0.699   3.638
  328    HE2  PHE  31          2HE       PHE  31  -0.060  -3.457   2.153
  329   1HZ   PHE  31           HZ       PHE  31   2.033  -3.020   3.410
  330    QB   PHE  31           QB       PHE  31  -0.866   1.082   0.574
  331    QG   PHE  31           QD       PHE  31   0.163  -0.196   1.867
  332    QZ   PHE  31           QE       PHE  31   1.409  -2.078   2.895
  333    QZ   PHE  31           QR       PHE  31   1.035  -1.514   2.587
  334    H    LYS  32           H        LYS  32  -3.055   3.060   1.177
  335    HA   LYS  32           HA       LYS  32  -1.914   5.293  -0.274
  336   1HB   LYS  32          2HB       LYS  32  -4.635   4.126   0.178
  337   2HB   LYS  32          1HB       LYS  32  -4.471   5.702  -0.594
  338   1HG   LYS  32          2HG       LYS  32  -3.086   4.796  -2.340
  339   2HG   LYS  32          1HG       LYS  32  -2.980   3.238  -1.523
  340   1HD   LYS  32          2HD       LYS  32  -5.157   2.643  -2.082
  341   2HD   LYS  32          1HD       LYS  32  -5.691   4.320  -2.210
  342   1HE   LYS  32          2HE       LYS  32  -3.599   3.398  -4.142
  343   2HE   LYS  32          1HE       LYS  32  -5.269   2.854  -4.404
  344   1HZ   LYS  32          2HZ       LYS  32  -5.963   5.203  -4.055
  345   2HZ   LYS  32          1HZ       LYS  32  -4.323   5.650  -4.076
  346   3HZ   LYS  32          3HZ       LYS  32  -5.032   4.966  -5.456
  347    QB   LYS  32           QB       LYS  32  -4.553   4.914  -0.208
  348    QG   LYS  32           QG       LYS  32  -3.033   4.017  -1.931
  349    QD   LYS  32           QD       LYS  32  -5.424   3.481  -2.146
  350    QE   LYS  32           QE       LYS  32  -4.434   3.126  -4.273
  351    QZ   LYS  32           QZ       LYS  32  -5.106   5.273  -4.529
  352    H    GLN  33           H        GLN  33  -2.488   4.953   2.983
  353    HA   GLN  33           HA       GLN  33  -3.414   7.806   3.327
  354   1HB   GLN  33          2HB       GLN  33  -3.301   5.323   5.066
  355   2HB   GLN  33          1HB       GLN  33  -3.505   6.924   5.776
  356   1HG   GLN  33          2HG       GLN  33  -5.404   7.116   3.922
  357   2HG   GLN  33          1HG       GLN  33  -5.389   5.358   4.066
  358   1HE2  GLN  33          2HE2      GLN  33  -7.374   5.520   6.959
  359   2HE2  GLN  33          1HE2      GLN  33  -6.999   4.727   5.506
  360    QB   GLN  33           QB       GLN  33  -3.403   6.123   5.421
  361    QG   GLN  33           QG       GLN  33  -5.397   6.237   3.994
  362    QE2  GLN  33           QE2      GLN  33  -7.187   5.123   6.232
  363    H    TYR  34           H        TYR  34  -1.151   5.345   4.257
  364    HA   TYR  34           HA       TYR  34   0.912   6.555   5.660
  365   1HB   TYR  34          2HB       TYR  34   0.337   4.193   4.566
  366   2HB   TYR  34          1HB       TYR  34   1.374   4.789   3.276
  367    HD1  TYR  34          1HD       TYR  34   1.283   3.848   6.855
  368    HD2  TYR  34          2HD       TYR  34   3.745   5.123   3.572
  369    HE1  TYR  34          1HE       TYR  34   3.315   3.277   8.159
  370    HE2  TYR  34          2HE       TYR  34   5.779   4.553   4.878
  371    HH   TYR  34           HH       TYR  34   6.439   4.277   7.224
  372    QB   TYR  34           QB       TYR  34   0.855   4.491   3.921
  373    QG   TYR  34           QD       TYR  34   2.514   4.486   5.213
  374    QZ   TYR  34           QE       TYR  34   4.547   3.915   6.519
  375    QR   TYR  34           QR       TYR  34   3.530   4.200   5.866
  376    H    ALA  35           H        ALA  35   0.655   6.266   2.126
  377    HA   ALA  35           HA       ALA  35   2.907   7.803   1.318
  378   1HB   ALA  35          3HB       ALA  35   0.261   6.962   0.178
  379   2HB   ALA  35          2HB       ALA  35   1.241   8.116  -0.730
  380   3HB   ALA  35          1HB       ALA  35   1.891   6.523  -0.333
  381    QB   ALA  35           QB       ALA  35   1.131   7.200  -0.295
  382    H    ASN  36           H        ASN  36  -0.514   8.828   1.660
  383    HA   ASN  36           HA       ASN  36  -0.166  11.576   0.994
  384   1HB   ASN  36          2HB       ASN  36  -2.110   9.897   2.511
  385   2HB   ASN  36          1HB       ASN  36  -2.243  11.648   2.661
  386   1HD2  ASN  36          2HD2      ASN  36  -2.523  10.280  -1.206
  387   2HD2  ASN  36          1HD2      ASN  36  -1.281   9.697  -0.207
  388    QB   ASN  36           QB       ASN  36  -2.176  10.773   2.586
  389    QD2  ASN  36           QD2      ASN  36  -1.902   9.988  -0.706
  390    H    ASP  37           H        ASP  37  -0.159   9.972   4.184
  391    HA   ASP  37           HA       ASP  37   0.229  12.213   5.839
  392   1HB   ASP  37          2HB       ASP  37  -0.234   9.864   6.534
  393   2HB   ASP  37          1HB       ASP  37   1.428   9.446   6.116
  394    QB   ASP  37           QB       ASP  37   0.597   9.655   6.325
  395    H    ASN  38           H        ASN  38   2.503  10.684   3.708
  396    HA   ASN  38           HA       ASN  38   4.733  12.236   4.868
  397   1HB   ASN  38          2HB       ASN  38   4.469   9.597   4.039
  398   2HB   ASN  38          1HB       ASN  38   5.340  10.357   2.710
  399   1HD2  ASN  38          2HD2      ASN  38   7.125  10.408   6.423
  400   2HD2  ASN  38          1HD2      ASN  38   5.431  10.440   6.327
  401    QB   ASN  38           QB       ASN  38   4.904   9.977   3.374
  402    QD2  ASN  38           QD2      ASN  38   6.278  10.424   6.375
  403    H    GLY  39           H        GLY  39   2.916  11.709   1.882
  404   1HA   GLY  39          2HA       GLY  39   2.620  13.803   0.490
  405   2HA   GLY  39          1HA       GLY  39   4.358  14.041   0.673
  406    QA   GLY  39           QA       GLY  39   3.489  13.922   0.582
  407    H    ILE  40           H        ILE  40   2.736  10.951   0.061
  408    HA   ILE  40           HA       ILE  40   4.326  10.696  -2.453
  409    HB   ILE  40           HB       ILE  40   3.305   8.929  -0.286
  410   1HG1  ILE  40          2HG1      ILE  40   5.548   7.870  -0.738
  411   2HG1  ILE  40          1HG1      ILE  40   5.805   9.125  -1.955
  412   1HG2  ILE  40          2HG2      ILE  40   2.298   7.944  -2.395
  413   2HG2  ILE  40          1HG2      ILE  40   3.945   7.747  -2.992
  414   3HG2  ILE  40          3HG2      ILE  40   3.424   6.896  -1.538
  415   1HD1  ILE  40          2HD1      ILE  40   4.989   9.797   0.862
  416   2HD1  ILE  40          1HD1      ILE  40   6.688   9.605   0.415
  417   3HD1  ILE  40          3HD1      ILE  40   5.707  10.857  -0.356
  418    QG1  ILE  40           QG1      ILE  40   5.676   8.497  -1.347
  419    QG2  ILE  40           QG2      ILE  40   3.222   7.529  -2.308
  420    QD1  ILE  40           QD1      ILE  40   5.795  10.086   0.307
  421    H    ASP  41           H        ASP  41   3.160  11.355  -4.170
  422    HA   ASP  41           HA       ASP  41   0.382  10.295  -4.514
  423   1HB   ASP  41          2HB       ASP  41   0.701  12.742  -3.577
  424   2HB   ASP  41          1HB       ASP  41   1.056  13.124  -5.262
  425    QB   ASP  41           QB       ASP  41   0.878  12.933  -4.420
  426    H    GLY  42           H        GLY  42   0.677   9.032  -6.322
  427   1HA   GLY  42          2HA       GLY  42   1.356  10.311  -8.847
  428   2HA   GLY  42          1HA       GLY  42   2.584   9.159  -8.323
  429    QA   GLY  42           QA       GLY  42   1.970   9.735  -8.585
  430    H    GLU  43           H        GLU  43   2.229   7.012  -8.745
  431    HA   GLU  43           HA       GLU  43  -0.457   6.262  -9.855
  432   1HB   GLU  43          2HB       GLU  43   2.036   6.145 -10.959
  433   2HB   GLU  43          1HB       GLU  43   1.911   4.529 -10.265
  434   1HG   GLU  43          2HG       GLU  43  -0.364   4.349 -11.393
  435   2HG   GLU  43          1HG       GLU  43   0.046   5.828 -12.263
  436    QB   GLU  43           QB       GLU  43   1.974   5.337 -10.612
  437    QG   GLU  43           QG       GLU  43  -0.159   5.088 -11.828
  438    H    TRP  44           H        TRP  44  -0.891   3.807  -9.540
  439    HA   TRP  44           HA       TRP  44   0.152   2.617  -7.013
  440   1HB   TRP  44          2HB       TRP  44  -2.595   3.784  -7.465
  441   2HB   TRP  44          1HB       TRP  44  -2.423   2.360  -6.434
  442    HD1  TRP  44           HD       TRP  44  -1.515   6.060  -6.606
  443    HE1  TRP  44          1HE       TRP  44  -0.704   6.804  -4.274
  444    HE3  TRP  44          3HE       TRP  44  -1.347   1.535  -4.282
  445    HZ2  TRP  44          2HZ       TRP  44  -0.061   5.622  -1.749
  446    HZ3  TRP  44          3HZ       TRP  44  -0.629   1.367  -1.906
  447    HH2  TRP  44           HH       TRP  44   0.017   3.406  -0.646
  448    QB   TRP  44           QB       TRP  44  -2.509   3.072  -6.949
  449    H    THR  45           H        THR  45   0.285   0.438  -7.355
  450    HA   THR  45           HA       THR  45  -1.687  -0.872  -9.174
  451    HB   THR  45           HB       THR  45   0.014  -1.825 -10.539
  452    HG1  THR  45          1HG       THR  45   1.905  -2.250  -9.772
  453   1HG2  THR  45          1HG2      THR  45  -0.365   0.576 -10.999
  454   2HG2  THR  45          3HG2      THR  45   0.951   0.977  -9.892
  455   3HG2  THR  45          2HG2      THR  45   1.289   0.089 -11.382
  456    QG2  THR  45           QG2      THR  45   0.625   0.547 -10.758
  457    H    TYR  46           H        TYR  46  -2.304  -2.823  -8.367
  458    HA   TYR  46           HA       TYR  46  -0.913  -3.818  -5.930
  459   1HB   TYR  46          2HB       TYR  46  -3.277  -3.404  -5.711
  460   2HB   TYR  46          1HB       TYR  46  -3.630  -4.308  -7.187
  461    HD1  TYR  46          1HD       TYR  46  -1.598  -4.946  -4.090
  462    HD2  TYR  46          2HD       TYR  46  -4.640  -6.370  -6.767
  463    HE1  TYR  46          1HE       TYR  46  -1.768  -7.044  -2.782
  464    HE2  TYR  46          2HE       TYR  46  -4.810  -8.468  -5.455
  465    HH   TYR  46           HH       TYR  46  -3.321  -9.795  -3.916
  466    QB   TYR  46           QB       TYR  46  -3.454  -3.856  -6.449
  467    QG   TYR  46           QD       TYR  46  -3.119  -5.658  -5.428
  468    QZ   TYR  46           QE       TYR  46  -3.289  -7.756  -4.118
  469    QR   TYR  46           QR       TYR  46  -3.204  -6.707  -4.773
  470    H    ASP  47           H        ASP  47  -0.129  -5.949  -5.820
  471    HA   ASP  47           HA       ASP  47   0.063  -7.417  -8.431
  472   1HB   ASP  47          2HB       ASP  47   1.940  -7.243  -6.049
  473   2HB   ASP  47          1HB       ASP  47   2.222  -8.245  -7.472
  474    QB   ASP  47           QB       ASP  47   2.081  -7.744  -6.760
  475    H    ASP  48           H        ASP  48  -1.657  -8.872  -8.171
  476    HA   ASP  48           HA       ASP  48  -2.316 -10.182  -5.684
  477   1HB   ASP  48          2HB       ASP  48  -3.781 -11.530  -7.176
  478   2HB   ASP  48          1HB       ASP  48  -3.908  -9.804  -7.510
  479    QB   ASP  48           QB       ASP  48  -3.844 -10.667  -7.343
  480    H    ALA  49           H        ALA  49   0.318 -10.690  -7.743
  481    HA   ALA  49           HA       ALA  49   0.473 -13.612  -7.342
  482   1HB   ALA  49          1HB       ALA  49   1.680 -11.509  -9.022
  483   2HB   ALA  49          3HB       ALA  49   2.818 -12.753  -8.509
  484   3HB   ALA  49          2HB       ALA  49   1.366 -13.202  -9.403
  485    QB   ALA  49           QB       ALA  49   1.955 -12.488  -8.978
  486    H    THR  50           H        THR  50   1.804 -10.611  -6.076
  487    HA   THR  50           HA       THR  50   3.445 -12.210  -4.138
  488    HB   THR  50           HB       THR  50   5.032 -10.287  -4.241
  489    HG1  THR  50          1HG       THR  50   3.504  -8.723  -4.882
  490   1HG2  THR  50          1HG2      THR  50   5.025 -12.339  -5.845
  491   2HG2  THR  50          3HG2      THR  50   4.498 -11.178  -7.063
  492   3HG2  THR  50          2HG2      THR  50   6.046 -10.957  -6.246
  493    QG2  THR  50           QG2      THR  50   5.190 -11.491  -6.385
  494    H    LYS  51           H        LYS  51   0.681 -10.445  -4.372
  495    HA   LYS  51           HA       LYS  51  -0.598  -9.174  -2.852
  496   1HB   LYS  51          2HB       LYS  51   1.391 -10.452  -0.941
  497   2HB   LYS  51          1HB       LYS  51  -0.164  -9.760  -0.483
  498   1HG   LYS  51          2HG       LYS  51  -0.308 -11.751  -2.663
  499   2HG   LYS  51          1HG       LYS  51   0.227 -12.401  -1.115
  500   1HD   LYS  51          2HD       LYS  51  -1.782 -11.085  -0.118
  501   2HD   LYS  51          1HD       LYS  51  -2.373 -11.032  -1.780
  502   1HE   LYS  51          2HE       LYS  51  -2.246 -13.505  -1.907
  503   2HE   LYS  51          1HE       LYS  51  -1.679 -13.552  -0.225
  504   1HZ   LYS  51          2HZ       LYS  51  -3.675 -12.328   0.427
  505   2HZ   LYS  51          1HZ       LYS  51  -4.234 -12.368  -1.177
  506   3HZ   LYS  51          3HZ       LYS  51  -4.075 -13.810  -0.300
  507    QB   LYS  51           QB       LYS  51   0.614 -10.106  -0.712
  508    QG   LYS  51           QG       LYS  51  -0.040 -12.076  -1.889
  509    QD   LYS  51           QD       LYS  51  -2.077 -11.059  -0.949
  510    QE   LYS  51           QE       LYS  51  -1.962 -13.529  -1.066
  511    QZ   LYS  51           QZ       LYS  51  -3.995 -12.835  -0.350
  512    H    THR  52           H        THR  52   1.599  -7.811  -4.150
  513    HA   THR  52           HA       THR  52   2.347  -5.844  -1.995
  514    HB   THR  52           HB       THR  52   3.939  -6.628  -4.453
  515    HG1  THR  52          1HG       THR  52   5.200  -7.781  -2.909
  516   1HG2  THR  52          1HG2      THR  52   4.337  -4.783  -2.136
  517   2HG2  THR  52          3HG2      THR  52   5.744  -5.630  -2.779
  518   3HG2  THR  52          2HG2      THR  52   4.795  -4.575  -3.827
  519    QG2  THR  52           QG2      THR  52   4.959  -4.996  -2.914
  520    H    PHE  53           H        PHE  53   2.152  -3.646  -2.550
  521    HA   PHE  53           HA       PHE  53   0.654  -3.074  -5.055
  522   1HB   PHE  53          2HB       PHE  53   1.103  -1.649  -2.428
  523   2HB   PHE  53          1HB       PHE  53   0.298  -0.865  -3.788
  524    HD1  PHE  53          2HD       PHE  53   0.116  -3.721  -1.414
  525    HD2  PHE  53          1HD       PHE  53  -1.960  -1.429  -4.405
  526    HE1  PHE  53          2HE       PHE  53  -2.015  -4.854  -0.810
  527    HE2  PHE  53          1HE       PHE  53  -4.073  -2.566  -3.802
  528   1HZ   PHE  53           HZ       PHE  53  -4.099  -4.280  -2.015
  529    QB   PHE  53           QB       PHE  53   0.701  -1.257  -3.108
  530    QG   PHE  53           QD       PHE  53  -0.922  -2.575  -2.910
  531    QZ   PHE  53           QE       PHE  53  -3.044  -3.710  -2.306
  532    QZ   PHE  53           QR       PHE  53  -2.406  -3.370  -2.489
  533    H    THR  54           H        THR  54   1.316  -0.407  -5.564
  534    HA   THR  54           HA       THR  54   4.239  -0.076  -5.530
  535    HB   THR  54           HB       THR  54   2.953  -0.083  -8.240
  536    HG1  THR  54          1HG       THR  54   3.512  -2.333  -8.382
  537   1HG2  THR  54          1HG2      THR  54   5.683  -0.791  -7.143
  538   2HG2  THR  54          3HG2      THR  54   5.242  -0.902  -8.847
  539   3HG2  THR  54          2HG2      THR  54   5.247   0.665  -8.037
  540    QG2  THR  54           QG2      THR  54   5.391  -0.343  -8.009
  541    H    VAL  55           H        VAL  55   3.753   1.879  -4.505
  542    HA   VAL  55           HA       VAL  55   1.936   3.761  -5.878
  543    HB   VAL  55           HB       VAL  55   1.543   3.509  -3.533
  544   1HG1  VAL  55          1HG1      VAL  55   4.511   4.013  -3.199
  545   2HG1  VAL  55          3HG1      VAL  55   3.358   4.072  -1.866
  546   3HG1  VAL  55          2HG1      VAL  55   3.598   2.565  -2.748
  547   1HG2  VAL  55          3HG2      VAL  55   1.434   5.832  -4.405
  548   2HG2  VAL  55          2HG2      VAL  55   1.872   5.784  -2.698
  549   3HG2  VAL  55          1HG2      VAL  55   3.110   6.075  -3.918
  550    QG1  VAL  55           QG1      VAL  55   3.822   3.550  -2.604
  551    QG2  VAL  55           QG2      VAL  55   2.139   5.897  -3.674
  552    QQG  VAL  55           QQG      VAL  55   2.981   4.723  -3.139
  553    H    THR  56           H        THR  56   2.765   5.057  -7.358
  554    HA   THR  56           HA       THR  56   5.630   5.856  -7.251
  555    HB   THR  56           HB       THR  56   3.449   5.555  -9.298
  556    HG1  THR  56          1HG       THR  56   4.774   4.096  -9.976
  557   1HG2  THR  56          1HG2      THR  56   5.875   7.335  -9.662
  558   2HG2  THR  56          3HG2      THR  56   4.891   6.720 -10.992
  559   3HG2  THR  56          2HG2      THR  56   4.181   7.809  -9.797
  560    QG2  THR  56           QG2      THR  56   4.982   7.288 -10.150
  561    H    GLU  57           H        GLU  57   5.992   8.243  -7.897
  562    HA   GLU  57           HA       GLU  57   3.845   9.990  -6.729
  563   1HB   GLU  57          2HB       GLU  57   5.925   9.506  -5.327
  564   2HB   GLU  57          1HB       GLU  57   6.845  10.389  -6.545
  565   1HG   GLU  57          2HG       GLU  57   4.620  12.029  -5.918
  566   2HG   GLU  57          1HG       GLU  57   5.231  11.431  -4.376
  567    QB   GLU  57           QB       GLU  57   6.385   9.948  -5.936
  568    QG   GLU  57           QG       GLU  57   4.926  11.730  -5.147
   
  No H/Q in entry =         568
  Start of MODEL   35
    1   1H    MET   1          3HT       MET   1  -3.389 -15.363   6.035
    2   2H    MET   1          2HT       MET   1  -2.139 -16.062   6.949
    3   3H    MET   1          1HT       MET   1  -2.416 -14.387   7.021
    4    HA   MET   1           HA       MET   1  -0.486 -14.832   5.636
    5   1HB   MET   1          2HB       MET   1  -2.526 -16.712   4.461
    6   2HB   MET   1          1HB       MET   1  -1.168 -16.162   3.480
    7   1HG   MET   1          2HG       MET   1   0.401 -16.964   5.226
    8   2HG   MET   1          1HG       MET   1  -0.969 -17.556   6.166
    9   1HE   MET   1          2HE       MET   1   1.532 -18.866   5.312
   10   2HE   MET   1          1HE       MET   1   1.314 -20.330   4.358
   11   3HE   MET   1          3HE       MET   1   1.707 -18.801   3.560
   12    QB   MET   1           QB       MET   1  -1.847 -16.437   3.970
   13    QG   MET   1           QG       MET   1  -0.284 -17.260   5.696
   14    QE   MET   1           QE       MET   1   1.517 -19.332   4.410
   15    H    THR   2           H        THR   2  -2.206 -12.671   5.962
   16    HA   THR   2           HA       THR   2  -2.772 -11.811   3.141
   17    HB   THR   2           HB       THR   2  -4.125 -10.936   5.712
   18    HG1  THR   2          1HG       THR   2  -5.833 -12.280   4.880
   19   1HG2  THR   2          2HG2      THR   2  -4.342 -10.200   2.851
   20   2HG2  THR   2          1HG2      THR   2  -5.873 -10.470   3.681
   21   3HG2  THR   2          3HG2      THR   2  -4.742  -9.263   4.291
   22    QG2  THR   2           QG2      THR   2  -4.986  -9.978   3.608
   23    H    THR   3           H        THR   3  -0.286 -11.511   4.870
   24    HA   THR   3           HA       THR   3  -0.091  -8.767   5.756
   25    HB   THR   3           HB       THR   3   2.126 -10.609   4.816
   26    HG1  THR   3          1HG       THR   3   2.054 -11.454   6.908
   27   1HG2  THR   3          3HG2      THR   3   2.318  -8.060   5.655
   28   2HG2  THR   3          2HG2      THR   3   2.315  -8.870   7.223
   29   3HG2  THR   3          1HG2      THR   3   3.546  -9.272   6.023
   30    QG2  THR   3           QG2      THR   3   2.726  -8.734   6.300
   31    H    PHE   4           H        PHE   4  -0.509  -7.178   4.234
   32    HA   PHE   4           HA       PHE   4   0.449  -7.457   1.453
   33   1HB   PHE   4          2HB       PHE   4  -1.152  -5.410   3.008
   34   2HB   PHE   4          1HB       PHE   4  -0.739  -5.204   1.305
   35    HD1  PHE   4          2HD       PHE   4  -1.227  -7.351  -0.204
   36    HD2  PHE   4          1HD       PHE   4  -3.171  -6.450   3.517
   37    HE1  PHE   4          2HE       PHE   4  -3.123  -8.814  -0.842
   38    HE2  PHE   4          1HE       PHE   4  -5.066  -7.912   2.878
   39   1HZ   PHE   4           HZ       PHE   4  -5.044  -9.094   0.699
   40    QB   PHE   4           QB       PHE   4  -0.945  -5.307   2.157
   41    QG   PHE   4           QD       PHE   4  -2.199  -6.901   1.657
   42    QZ   PHE   4           QE       PHE   4  -4.094  -8.363   1.018
   43    QZ   PHE   4           QR       PHE   4  -3.526  -7.924   1.210
   44    H    LYS   5           H        LYS   5   2.065  -6.164   0.539
   45    HA   LYS   5           HA       LYS   5   3.751  -4.603   2.467
   46   1HB   LYS   5          2HB       LYS   5   4.416  -6.013  -0.145
   47   2HB   LYS   5          1HB       LYS   5   5.581  -5.179   0.884
   48   1HG   LYS   5          2HG       LYS   5   4.731  -6.746   2.766
   49   2HG   LYS   5          1HG       LYS   5   4.043  -7.710   1.459
   50   1HD   LYS   5          2HD       LYS   5   6.527  -7.350   0.469
   51   2HD   LYS   5          1HD       LYS   5   6.893  -7.275   2.194
   52   1HE   LYS   5          2HE       LYS   5   5.396  -9.432   2.340
   53   2HE   LYS   5          1HE       LYS   5   5.754  -9.565   0.607
   54   1HZ   LYS   5          2HZ       LYS   5   7.785  -9.170   2.742
   55   2HZ   LYS   5          1HZ       LYS   5   7.456 -10.653   1.982
   56   3HZ   LYS   5          3HZ       LYS   5   8.097  -9.364   1.084
   57    QB   LYS   5           QB       LYS   5   4.999  -5.596   0.369
   58    QG   LYS   5           QG       LYS   5   4.387  -7.228   2.112
   59    QD   LYS   5           QD       LYS   5   6.710  -7.312   1.332
   60    QE   LYS   5           QE       LYS   5   5.575  -9.499   1.473
   61    QZ   LYS   5           QZ       LYS   5   7.779  -9.729   1.936
   62    H    LEU   6           H        LEU   6   5.249  -3.133   0.662
   63    HA   LEU   6           HA       LEU   6   3.584  -1.856  -1.370
   64   1HB   LEU   6          2HB       LEU   6   2.568  -1.015   0.704
   65   2HB   LEU   6          1HB       LEU   6   4.144  -0.460   1.269
   66    HG   LEU   6           HG       LEU   6   4.247   0.958  -0.863
   67   1HD1  LEU   6          2HD1      LEU   6   1.308   0.216  -0.873
   68   2HD1  LEU   6          1HD1      LEU   6   2.026   1.494  -1.854
   69   3HD1  LEU   6          3HD1      LEU   6   2.490  -0.186  -2.118
   70   1HD2  LEU   6          2HD2      LEU   6   3.467   1.613   1.583
   71   2HD2  LEU   6          1HD2      LEU   6   3.277   2.753   0.252
   72   3HD2  LEU   6          3HD2      LEU   6   1.898   1.801   0.799
   73    QB   LEU   6           QB       LEU   6   3.356  -0.738   0.986
   74    QD1  LEU   6           QD1      LEU   6   1.941   0.508  -1.615
   75    QD2  LEU   6           QD2      LEU   6   2.881   2.056   0.878
   76    QQD  LEU   6           QQD      LEU   6   2.411   1.282  -0.369
   77    H    ILE   7           H        ILE   7   5.230  -1.704  -2.848
   78    HA   ILE   7           HA       ILE   7   7.955  -0.907  -2.037
   79    HB   ILE   7           HB       ILE   7   6.656  -1.579  -4.706
   80   1HG1  ILE   7          2HG1      ILE   7   8.578  -3.297  -3.138
   81   2HG1  ILE   7          1HG1      ILE   7   6.846  -3.353  -2.811
   82   1HG2  ILE   7          3HG2      ILE   7   9.403  -0.748  -3.914
   83   2HG2  ILE   7          2HG2      ILE   7   9.284  -2.079  -5.066
   84   3HG2  ILE   7          1HG2      ILE   7   8.554  -0.518  -5.443
   85   1HD1  ILE   7          2HD1      ILE   7   6.617  -3.652  -5.396
   86   2HD1  ILE   7          1HD1      ILE   7   8.316  -4.118  -5.322
   87   3HD1  ILE   7          3HD1      ILE   7   7.111  -5.037  -4.422
   88    QG1  ILE   7           QG1      ILE   7   7.712  -3.325  -2.974
   89    QG2  ILE   7           QG2      ILE   7   9.080  -1.115  -4.808
   90    QD1  ILE   7           QD1      ILE   7   7.348  -4.269  -5.047
   91    H    ILE   8           H        ILE   8   8.413   1.263  -1.895
   92    HA   ILE   8           HA       ILE   8   6.626   3.181  -3.266
   93    HB   ILE   8           HB       ILE   8   8.977   3.890  -1.516
   94   1HG1  ILE   8          2HG1      ILE   8   7.472   2.108  -0.393
   95   2HG1  ILE   8          1HG1      ILE   8   7.735   3.596   0.494
   96   1HG2  ILE   8          1HG2      ILE   8   6.587   5.213  -2.634
   97   2HG2  ILE   8          3HG2      ILE   8   6.891   5.574  -0.935
   98   3HG2  ILE   8          2HG2      ILE   8   8.137   5.901  -2.138
   99   1HD1  ILE   8          3HD1      ILE   8   5.376   3.510  -1.316
  100   2HD1  ILE   8          2HD1      ILE   8   5.293   2.539   0.150
  101   3HD1  ILE   8          1HD1      ILE   8   5.557   4.281   0.261
  102    QG1  ILE   8           QG1      ILE   8   7.604   2.852   0.051
  103    QG2  ILE   8           QG2      ILE   8   7.205   5.562  -1.902
  104    QD1  ILE   8           QD1      ILE   8   5.409   3.443  -0.302
  105    H    ASN   9           H        ASN   9   7.228   3.691  -5.351
  106    HA   ASN   9           HA       ASN   9  10.142   3.735  -6.030
  107   1HB   ASN   9          2HB       ASN   9   8.662   2.252  -7.325
  108   2HB   ASN   9          1HB       ASN   9   7.628   3.619  -7.726
  109   1HD2  ASN   9          2HD2      ASN   9   9.683   4.704 -10.387
  110   2HD2  ASN   9          1HD2      ASN   9   8.241   4.923  -9.518
  111    QB   ASN   9           QB       ASN   9   8.145   2.936  -7.525
  112    QD2  ASN   9           QD2      ASN   9   8.962   4.814  -9.953
  113    H    GLY  10           H        GLY  10   9.624   5.919  -4.602
  114   1HA   GLY  10          2HA       GLY  10   9.297   8.088  -6.634
  115   2HA   GLY  10          1HA       GLY  10   8.581   8.228  -5.027
  116    QA   GLY  10           QA       GLY  10   8.939   8.158  -5.831
  117    H    LYS  11           H        LYS  11   9.842  10.054  -4.457
  118    HA   LYS  11           HA       LYS  11  12.790   9.560  -4.198
  119   1HB   LYS  11          2HB       LYS  11  12.932  12.049  -4.267
  120   2HB   LYS  11          1HB       LYS  11  12.157  11.391  -5.707
  121   1HG   LYS  11          2HG       LYS  11   9.975  11.989  -4.919
  122   2HG   LYS  11          1HG       LYS  11  10.586  12.347  -3.304
  123   1HD   LYS  11          2HD       LYS  11  11.424  14.391  -3.923
  124   2HD   LYS  11          1HD       LYS  11  11.821  13.850  -5.555
  125   1HE   LYS  11          2HE       LYS  11   9.998  15.182  -6.069
  126   2HE   LYS  11          1HE       LYS  11   9.120  13.688  -5.686
  127   1HZ   LYS  11          2HZ       LYS  11   9.847  15.763  -3.686
  128   2HZ   LYS  11          1HZ       LYS  11   8.317  15.640  -4.414
  129   3HZ   LYS  11          3HZ       LYS  11   8.886  14.387  -3.422
  130    QB   LYS  11           QB       LYS  11  12.545  11.720  -4.987
  131    QG   LYS  11           QG       LYS  11  10.281  12.168  -4.112
  132    QD   LYS  11           QD       LYS  11  11.623  14.121  -4.739
  133    QE   LYS  11           QE       LYS  11   9.559  14.435  -5.877
  134    QZ   LYS  11           QZ       LYS  11   9.017  15.263  -3.841
  135    H    THR  12           H        THR  12   9.839  10.406  -2.501
  136    HA   THR  12           HA       THR  12  11.178  11.297  -0.051
  137    HB   THR  12           HB       THR  12   8.711  11.039   0.746
  138    HG1  THR  12          1HG       THR  12   7.310  10.995  -1.139
  139   1HG2  THR  12          2HG2      THR  12  10.049  13.077  -0.389
  140   2HG2  THR  12          1HG2      THR  12   8.813  12.837  -1.624
  141   3HG2  THR  12          3HG2      THR  12   8.341  13.190   0.039
  142    QG2  THR  12           QG2      THR  12   9.068  13.035  -0.658
  143    H    LEU  13           H        LEU  13   9.580   8.323  -1.191
  144    HA   LEU  13           HA       LEU  13  10.631   6.918   1.249
  145   1HB   LEU  13          2HB       LEU  13   8.004   7.037  -0.099
  146   2HB   LEU  13          1HB       LEU  13   8.524   5.413   0.345
  147    HG   LEU  13           HG       LEU  13   8.439   7.778   2.240
  148   1HD1  LEU  13          1HD1      LEU  13   6.478   5.642   1.514
  149   2HD1  LEU  13          3HD1      LEU  13   6.624   6.067   3.221
  150   3HD1  LEU  13          2HD1      LEU  13   6.192   7.303   2.044
  151   1HD2  LEU  13          1HD2      LEU  13   9.383   4.951   2.417
  152   2HD2  LEU  13          3HD2      LEU  13   9.994   6.390   3.233
  153   3HD2  LEU  13          2HD2      LEU  13   8.527   5.602   3.814
  154    QB   LEU  13           QB       LEU  13   8.264   6.225   0.123
  155    QD1  LEU  13           QD1      LEU  13   6.431   6.337   2.260
  156    QD2  LEU  13           QD2      LEU  13   9.301   5.648   3.155
  157    QQD  LEU  13           QQD      LEU  13   7.866   5.993   2.707
  158    H    LYS  14           H        LYS  14  10.929   4.507   0.812
  159    HA   LYS  14           HA       LYS  14  11.169   3.458  -1.834
  160   1HB   LYS  14          2HB       LYS  14  13.676   3.504  -1.957
  161   2HB   LYS  14          1HB       LYS  14  12.964   5.114  -2.010
  162   1HG   LYS  14          2HG       LYS  14  14.131   5.715  -0.180
  163   2HG   LYS  14          1HG       LYS  14  13.383   4.414   0.743
  164   1HD   LYS  14          2HD       LYS  14  15.761   4.056   0.825
  165   2HD   LYS  14          1HD       LYS  14  15.097   2.845  -0.272
  166   1HE   LYS  14          2HE       LYS  14  15.638   4.422  -2.190
  167   2HE   LYS  14          1HE       LYS  14  16.533   5.410  -1.019
  168   1HZ   LYS  14          1HZ       LYS  14  16.954   2.499  -1.441
  169   2HZ   LYS  14          3HZ       LYS  14  17.940   3.712  -2.099
  170   3HZ   LYS  14          2HZ       LYS  14  17.851   3.512  -0.414
  171    QB   LYS  14           QB       LYS  14  13.320   4.309  -1.983
  172    QG   LYS  14           QG       LYS  14  13.757   5.064   0.282
  173    QD   LYS  14           QD       LYS  14  15.429   3.451   0.277
  174    QE   LYS  14           QE       LYS  14  16.086   4.916  -1.605
  175    QZ   LYS  14           QZ       LYS  14  17.582   3.241  -1.318
  176    H    GLY  15           H        GLY  15  10.084   1.805  -0.419
  177   1HA   GLY  15          2HA       GLY  15  11.903  -0.274   0.366
  178   2HA   GLY  15          1HA       GLY  15  11.302   0.550   1.803
  179    QA   GLY  15           QA       GLY  15  11.603   0.138   1.085
  180    H    GLU  16           H        GLU  16  10.443  -1.761   2.101
  181    HA   GLU  16           HA       GLU  16   7.735  -1.997   0.825
  182   1HB   GLU  16          2HB       GLU  16   9.909  -3.995   1.433
  183   2HB   GLU  16          1HB       GLU  16   8.233  -4.519   1.269
  184   1HG   GLU  16          2HG       GLU  16   8.173  -4.084  -0.984
  185   2HG   GLU  16          1HG       GLU  16   9.276  -2.713  -0.854
  186    QB   GLU  16           QB       GLU  16   9.071  -4.257   1.351
  187    QG   GLU  16           QG       GLU  16   8.725  -3.398  -0.919
  188    H    ILE  17           H        ILE  17   6.369  -1.347   2.471
  189    HA   ILE  17           HA       ILE  17   6.951  -2.106   5.281
  190    HB   ILE  17           HB       ILE  17   4.781  -0.424   3.974
  191   1HG1  ILE  17          2HG1      ILE  17   6.273   1.350   5.298
  192   2HG1  ILE  17          1HG1      ILE  17   7.524   0.136   5.037
  193   1HG2  ILE  17          2HG2      ILE  17   5.462  -1.065   6.836
  194   2HG2  ILE  17          1HG2      ILE  17   4.713   0.477   6.426
  195   3HG2  ILE  17          3HG2      ILE  17   3.882  -1.033   6.057
  196   1HD1  ILE  17          2HD1      ILE  17   5.852   0.755   2.671
  197   2HD1  ILE  17          1HD1      ILE  17   6.901   2.061   3.218
  198   3HD1  ILE  17          3HD1      ILE  17   7.592   0.499   2.785
  199    QG1  ILE  17           QG1      ILE  17   6.899   0.743   5.167
  200    QG2  ILE  17           QG2      ILE  17   4.686  -0.540   6.440
  201    QD1  ILE  17           QD1      ILE  17   6.782   1.105   2.891
  202    H    THR  18           H        THR  18   6.316  -4.190   5.741
  203    HA   THR  18           HA       THR  18   4.008  -5.437   4.408
  204    HB   THR  18           HB       THR  18   4.752  -7.387   5.748
  205    HG1  THR  18          1HG       THR  18   5.520  -6.747   7.607
  206   1HG2  THR  18          3HG2      THR  18   6.289  -5.982   3.803
  207   2HG2  THR  18          2HG2      THR  18   7.412  -6.607   5.009
  208   3HG2  THR  18          1HG2      THR  18   6.320  -7.706   4.170
  209    QG2  THR  18           QG2      THR  18   6.674  -6.765   4.328
  210    H    ILE  19           H        ILE  19   1.956  -5.288   5.203
  211    HA   ILE  19           HA       ILE  19   1.544  -5.105   8.151
  212    HB   ILE  19           HB       ILE  19  -0.025  -3.214   7.790
  213   1HG1  ILE  19          2HG1      ILE  19   0.544  -2.130   5.359
  214   2HG1  ILE  19          1HG1      ILE  19   0.613  -3.846   4.958
  215   1HG2  ILE  19          3HG2      ILE  19   2.469  -2.914   8.239
  216   2HG2  ILE  19          2HG2      ILE  19   2.643  -2.580   6.516
  217   3HG2  ILE  19          1HG2      ILE  19   1.645  -1.530   7.522
  218   1HD1  ILE  19          2HD1      ILE  19  -1.639  -3.901   6.383
  219   2HD1  ILE  19          1HD1      ILE  19  -1.708  -2.207   5.897
  220   3HD1  ILE  19          3HD1      ILE  19  -1.653  -3.476   4.671
  221    QG1  ILE  19           QG1      ILE  19   0.578  -2.988   5.158
  222    QG2  ILE  19           QG2      ILE  19   2.252  -2.341   7.426
  223    QD1  ILE  19           QD1      ILE  19  -1.667  -3.195   5.650
  224    H    GLU  20           H        GLU  20  -0.165  -6.367   8.794
  225    HA   GLU  20           HA       GLU  20  -1.584  -7.995   6.828
  226   1HB   GLU  20          2HB       GLU  20  -0.751  -8.414   9.317
  227   2HB   GLU  20          1HB       GLU  20  -2.350  -7.786   9.720
  228   1HG   GLU  20          2HG       GLU  20  -3.402  -9.476   8.286
  229   2HG   GLU  20          1HG       GLU  20  -1.815 -10.086   7.818
  230    QB   GLU  20           QB       GLU  20  -1.551  -8.100   9.518
  231    QG   GLU  20           QG       GLU  20  -2.609  -9.781   8.052
  232    H    ALA  21           H        ALA  21  -3.973  -8.096   6.727
  233    HA   ALA  21           HA       ALA  21  -5.618  -5.951   7.810
  234   1HB   ALA  21          2HB       ALA  21  -4.050  -5.208   5.715
  235   2HB   ALA  21          1HB       ALA  21  -5.466  -5.797   4.846
  236   3HB   ALA  21          3HB       ALA  21  -5.634  -4.499   6.028
  237    QB   ALA  21           QB       ALA  21  -5.050  -5.168   5.530
  238    H    VAL  22           H        VAL  22  -7.885  -6.124   6.930
  239    HA   VAL  22           HA       VAL  22  -8.888  -8.751   6.863
  240    HB   VAL  22           HB       VAL  22 -10.170  -6.703   7.365
  241   1HG1  VAL  22          2HG1      VAL  22  -9.001  -5.436   5.427
  242   2HG1  VAL  22          1HG1      VAL  22 -10.260  -6.128   4.405
  243   3HG1  VAL  22          3HG1      VAL  22 -10.697  -5.070   5.745
  244   1HG2  VAL  22          1HG2      VAL  22 -11.054  -8.696   5.354
  245   2HG2  VAL  22          3HG2      VAL  22 -11.780  -8.256   6.899
  246   3HG2  VAL  22          2HG2      VAL  22 -12.053  -7.248   5.478
  247    QG1  VAL  22           QG1      VAL  22  -9.986  -5.545   5.192
  248    QG2  VAL  22           QG2      VAL  22 -11.629  -8.067   5.910
  249    QQG  VAL  22           QQG      VAL  22 -10.807  -6.806   5.551
  250    H    ASP  23           H        ASP  23  -7.977  -6.618   4.188
  251    HA   ASP  23           HA       ASP  23  -7.581  -8.887   2.377
  252   1HB   ASP  23          2HB       ASP  23  -9.994  -7.130   2.354
  253   2HB   ASP  23          1HB       ASP  23  -9.286  -7.521   0.787
  254    QB   ASP  23           QB       ASP  23  -9.640  -7.326   1.571
  255    H    ALA  24           H        ALA  24  -6.974  -7.878   0.093
  256    HA   ALA  24           HA       ALA  24  -4.834  -6.019   0.489
  257   1HB   ALA  24          2HB       ALA  24  -5.446  -7.767  -1.412
  258   2HB   ALA  24          1HB       ALA  24  -6.186  -6.356  -2.169
  259   3HB   ALA  24          3HB       ALA  24  -4.463  -6.348  -1.784
  260    QB   ALA  24           QB       ALA  24  -5.365  -6.824  -1.789
  261    H    ALA  25           H        ALA  25  -8.226  -5.594  -0.370
  262    HA   ALA  25           HA       ALA  25  -8.217  -2.951  -1.362
  263   1HB   ALA  25          1HB       ALA  25 -10.088  -4.852  -0.109
  264   2HB   ALA  25          3HB       ALA  25 -10.544  -3.160   0.095
  265   3HB   ALA  25          2HB       ALA  25 -10.319  -3.824  -1.523
  266    QB   ALA  25           QB       ALA  25 -10.317  -3.945  -0.512
  267    H    GLU  26           H        GLU  26  -8.343  -4.146   1.990
  268    HA   GLU  26           HA       GLU  26  -8.510  -1.517   3.217
  269   1HB   GLU  26          2HB       GLU  26  -9.239  -3.676   4.245
  270   2HB   GLU  26          1HB       GLU  26  -7.553  -4.192   4.301
  271   1HG   GLU  26          2HG       GLU  26  -7.030  -2.775   6.030
  272   2HG   GLU  26          1HG       GLU  26  -8.179  -1.542   5.504
  273    QB   GLU  26           QB       GLU  26  -8.396  -3.934   4.273
  274    QG   GLU  26           QG       GLU  26  -7.605  -2.158   5.767
  275    H    ALA  27           H        ALA  27  -5.866  -3.850   2.635
  276    HA   ALA  27           HA       ALA  27  -3.720  -2.393   3.810
  277   1HB   ALA  27          2HB       ALA  27  -4.116  -4.514   1.771
  278   2HB   ALA  27          1HB       ALA  27  -2.577  -3.653   1.674
  279   3HB   ALA  27          3HB       ALA  27  -3.033  -4.487   3.163
  280    QB   ALA  27           QB       ALA  27  -3.242  -4.218   2.203
  281    H    GLU  28           H        GLU  28  -5.168  -2.221   0.565
  282    HA   GLU  28           HA       GLU  28  -3.339  -0.375  -0.622
  283   1HB   GLU  28          2HB       GLU  28  -5.274  -1.785  -1.623
  284   2HB   GLU  28          1HB       GLU  28  -6.320  -0.456  -1.123
  285   1HG   GLU  28          2HG       GLU  28  -4.738   1.096  -2.388
  286   2HG   GLU  28          1HG       GLU  28  -4.006  -0.353  -3.078
  287    QB   GLU  28           QB       GLU  28  -5.797  -1.121  -1.373
  288    QG   GLU  28           QG       GLU  28  -4.372   0.372  -2.733
  289    H    LYS  29           H        LYS  29  -6.277   0.116   1.347
  290    HA   LYS  29           HA       LYS  29  -6.297   3.003   1.165
  291   1HB   LYS  29          2HB       LYS  29  -7.432   0.926   3.043
  292   2HB   LYS  29          1HB       LYS  29  -7.674   2.648   3.334
  293   1HG   LYS  29          2HG       LYS  29  -8.315   2.443   0.667
  294   2HG   LYS  29          1HG       LYS  29  -8.894   0.900   1.296
  295   1HD   LYS  29          2HD       LYS  29 -10.755   2.187   1.739
  296   2HD   LYS  29          1HD       LYS  29  -9.854   2.482   3.227
  297   1HE   LYS  29          2HE       LYS  29 -10.257   4.684   2.623
  298   2HE   LYS  29          1HE       LYS  29  -8.778   4.423   1.675
  299   1HZ   LYS  29          1HZ       LYS  29 -11.516   3.834   0.686
  300   2HZ   LYS  29          3HZ       LYS  29 -10.672   5.263   0.334
  301   3HZ   LYS  29          2HZ       LYS  29 -10.072   3.769  -0.206
  302    QB   LYS  29           QB       LYS  29  -7.553   1.787   3.188
  303    QG   LYS  29           QG       LYS  29  -8.605   1.671   0.981
  304    QD   LYS  29           QD       LYS  29 -10.304   2.334   2.483
  305    QE   LYS  29           QE       LYS  29  -9.517   4.554   2.149
  306    QZ   LYS  29           QZ       LYS  29 -10.754   4.289   0.271
  307    H    ILE  30           H        ILE  30  -5.086   0.734   3.655
  308    HA   ILE  30           HA       ILE  30  -3.953   2.644   5.445
  309    HB   ILE  30           HB       ILE  30  -3.109  -0.188   4.705
  310   1HG1  ILE  30          2HG1      ILE  30  -4.854   0.821   6.975
  311   2HG1  ILE  30          1HG1      ILE  30  -5.475   0.108   5.487
  312   1HG2  ILE  30          3HG2      ILE  30  -1.344   1.057   5.944
  313   2HG2  ILE  30          2HG2      ILE  30  -2.515   1.425   7.211
  314   3HG2  ILE  30          1HG2      ILE  30  -2.033  -0.246   6.914
  315   1HD1  ILE  30          2HD1      ILE  30  -3.594  -1.752   6.297
  316   2HD1  ILE  30          1HD1      ILE  30  -4.278  -1.202   7.827
  317   3HD1  ILE  30          3HD1      ILE  30  -5.331  -1.872   6.582
  318    QG1  ILE  30           QG1      ILE  30  -5.164   0.465   6.231
  319    QG2  ILE  30           QG2      ILE  30  -1.964   0.745   6.690
  320    QD1  ILE  30           QD1      ILE  30  -4.401  -1.609   6.902
  321    H    PHE  31           H        PHE  31  -2.561   0.959   2.633
  322    HA   PHE  31           HA       PHE  31   0.045   2.215   2.801
  323   1HB   PHE  31          2HB       PHE  31  -1.545   0.662   0.759
  324   2HB   PHE  31          1HB       PHE  31   0.012   1.363   0.322
  325    HD1  PHE  31          2HD       PHE  31   1.684   1.061   2.641
  326    HD2  PHE  31          1HD       PHE  31  -1.306  -1.624   1.120
  327    HE1  PHE  31          2HE       PHE  31   2.844  -0.843   3.725
  328    HE2  PHE  31          1HE       PHE  31  -0.145  -3.526   2.206
  329   1HZ   PHE  31           HZ       PHE  31   1.927  -3.136   3.506
  330    QB   PHE  31           QB       PHE  31  -0.767   1.012   0.540
  331    QG   PHE  31           QD       PHE  31   0.189  -0.281   1.880
  332    QZ   PHE  31           QE       PHE  31   1.349  -2.185   2.965
  333    QZ   PHE  31           QR       PHE  31   1.001  -1.614   2.640
  334    H    LYS  32           H        LYS  32  -2.958   2.922   1.025
  335    HA   LYS  32           HA       LYS  32  -1.887   5.165  -0.443
  336   1HB   LYS  32          2HB       LYS  32  -4.629   4.071   0.149
  337   2HB   LYS  32          1HB       LYS  32  -4.414   5.548  -0.784
  338   1HG   LYS  32          2HG       LYS  32  -2.665   3.360  -1.681
  339   2HG   LYS  32          1HG       LYS  32  -4.381   2.984  -1.828
  340   1HD   LYS  32          2HD       LYS  32  -3.076   5.508  -2.893
  341   2HD   LYS  32          1HD       LYS  32  -3.476   4.093  -3.868
  342   1HE   LYS  32          2HE       LYS  32  -5.690   4.636  -3.947
  343   2HE   LYS  32          1HE       LYS  32  -5.725   5.097  -2.233
  344   1HZ   LYS  32          1HZ       LYS  32  -4.419   7.095  -2.854
  345   2HZ   LYS  32          3HZ       LYS  32  -4.623   6.688  -4.487
  346   3HZ   LYS  32          2HZ       LYS  32  -5.975   7.072  -3.533
  347    QB   LYS  32           QB       LYS  32  -4.521   4.809  -0.317
  348    QG   LYS  32           QG       LYS  32  -3.523   3.172  -1.755
  349    QD   LYS  32           QD       LYS  32  -3.276   4.801  -3.381
  350    QE   LYS  32           QE       LYS  32  -5.707   4.866  -3.090
  351    QZ   LYS  32           QZ       LYS  32  -5.006   6.952  -3.625
  352    H    GLN  33           H        GLN  33  -2.436   4.877   2.836
  353    HA   GLN  33           HA       GLN  33  -3.313   7.740   3.135
  354   1HB   GLN  33          2HB       GLN  33  -4.614   5.924   4.311
  355   2HB   GLN  33          1HB       GLN  33  -3.130   5.442   5.135
  356   1HG   GLN  33          2HG       GLN  33  -2.967   7.606   6.225
  357   2HG   GLN  33          1HG       GLN  33  -4.340   8.216   5.301
  358   1HE2  GLN  33          2HE2      GLN  33  -5.038   6.256   8.725
  359   2HE2  GLN  33          1HE2      GLN  33  -3.498   6.799   8.262
  360    QB   GLN  33           QB       GLN  33  -3.872   5.683   4.723
  361    QG   GLN  33           QG       GLN  33  -3.653   7.911   5.763
  362    QE2  GLN  33           QE2      GLN  33  -4.268   6.527   8.493
  363    H    TYR  34           H        TYR  34  -1.124   5.217   4.137
  364    HA   TYR  34           HA       TYR  34   0.875   6.501   5.609
  365   1HB   TYR  34          2HB       TYR  34   0.735   4.143   5.281
  366   2HB   TYR  34          1HB       TYR  34   0.674   4.316   3.526
  367    HD1  TYR  34          1HD       TYR  34   2.957   5.443   6.314
  368    HD2  TYR  34          2HD       TYR  34   2.629   3.561   2.468
  369    HE1  TYR  34          1HE       TYR  34   5.417   5.148   6.252
  370    HE2  TYR  34          2HE       TYR  34   5.091   3.266   2.403
  371    HH   TYR  34           HH       TYR  34   7.079   4.133   3.386
  372    QB   TYR  34           QB       TYR  34   0.704   4.230   4.404
  373    QG   TYR  34           QD       TYR  34   2.793   4.502   4.391
  374    QZ   TYR  34           QE       TYR  34   5.254   4.207   4.327
  375    QR   TYR  34           QR       TYR  34   4.023   4.354   4.359
  376    H    ALA  35           H        ALA  35   0.200   6.596   2.135
  377    HA   ALA  35           HA       ALA  35   2.699   7.989   1.392
  378   1HB   ALA  35          3HB       ALA  35   0.331   6.750   0.110
  379   2HB   ALA  35          2HB       ALA  35   0.894   8.224  -0.694
  380   3HB   ALA  35          1HB       ALA  35   1.998   6.857  -0.485
  381    QB   ALA  35           QB       ALA  35   1.075   7.277  -0.356
  382    H    ASN  36           H        ASN  36  -0.805   8.735   1.534
  383    HA   ASN  36           HA       ASN  36  -0.580  11.524   0.860
  384   1HB   ASN  36          2HB       ASN  36  -2.637   9.735   2.128
  385   2HB   ASN  36          1HB       ASN  36  -2.932  11.465   1.962
  386   1HD2  ASN  36          2HD2      ASN  36  -2.755   9.146  -1.425
  387   2HD2  ASN  36          1HD2      ASN  36  -2.085   8.562   0.021
  388    QB   ASN  36           QB       ASN  36  -2.784  10.600   2.045
  389    QD2  ASN  36           QD2      ASN  36  -2.420   8.854  -0.702
  390    H    ASP  37           H        ASP  37  -0.931   9.866   4.003
  391    HA   ASP  37           HA       ASP  37  -1.195  12.001   5.765
  392   1HB   ASP  37          2HB       ASP  37  -0.877   9.361   5.996
  393   2HB   ASP  37          1HB       ASP  37   0.762   9.847   6.431
  394    QB   ASP  37           QB       ASP  37  -0.058   9.604   6.214
  395    H    ASN  38           H        ASN  38   1.656  11.063   4.014
  396    HA   ASN  38           HA       ASN  38   3.298  13.082   5.409
  397   1HB   ASN  38          2HB       ASN  38   3.859  10.547   4.822
  398   2HB   ASN  38          1HB       ASN  38   4.316  11.255   3.272
  399   1HD2  ASN  38          2HD2      ASN  38   6.860  11.571   6.336
  400   2HD2  ASN  38          1HD2      ASN  38   5.547  10.496   6.308
  401    QB   ASN  38           QB       ASN  38   4.087  10.901   4.047
  402    QD2  ASN  38           QD2      ASN  38   6.203  11.033   6.322
  403    H    GLY  39           H        GLY  39   2.354  12.036   2.148
  404   1HA   GLY  39          2HA       GLY  39   1.542  14.004   0.693
  405   2HA   GLY  39          1HA       GLY  39   3.108  14.726   1.088
  406    QA   GLY  39           QA       GLY  39   2.325  14.365   0.891
  407    H    ILE  40           H        ILE  40   1.843  11.576  -0.061
  408    HA   ILE  40           HA       ILE  40   4.226  11.394  -1.877
  409    HB   ILE  40           HB       ILE  40   2.472   9.388  -0.507
  410   1HG1  ILE  40          2HG1      ILE  40   4.509  10.974   0.564
  411   2HG1  ILE  40          1HG1      ILE  40   3.830   9.539   1.301
  412   1HG2  ILE  40          2HG2      ILE  40   3.373   8.570  -2.666
  413   2HG2  ILE  40          1HG2      ILE  40   5.002   8.851  -2.052
  414   3HG2  ILE  40          3HG2      ILE  40   3.959   7.657  -1.273
  415   1HD1  ILE  40          3HD1      ILE  40   6.127   9.469  -0.648
  416   2HD1  ILE  40          2HD1      ILE  40   6.338   9.561   1.105
  417   3HD1  ILE  40          1HD1      ILE  40   5.544   8.158   0.382
  418    QG1  ILE  40           QG1      ILE  40   4.170  10.257   0.932
  419    QG2  ILE  40           QG2      ILE  40   4.111   8.359  -1.997
  420    QD1  ILE  40           QD1      ILE  40   6.003   9.063   0.280
  421    H    ASP  41           H        ASP  41   3.778  11.096  -4.045
  422    HA   ASP  41           HA       ASP  41   0.930  10.581  -4.846
  423   1HB   ASP  41          2HB       ASP  41   2.487  12.862  -5.234
  424   2HB   ASP  41          1HB       ASP  41   2.651  12.000  -6.764
  425    QB   ASP  41           QB       ASP  41   2.569  12.431  -5.999
  426    H    GLY  42           H        GLY  42   1.238  10.008  -7.471
  427   1HA   GLY  42          2HA       GLY  42   2.958   8.791  -8.899
  428   2HA   GLY  42          1HA       GLY  42   3.214   7.786  -7.479
  429    QA   GLY  42           QA       GLY  42   3.086   8.289  -8.189
  430    H    GLU  43           H        GLU  43   2.698   6.266  -9.436
  431    HA   GLU  43           HA       GLU  43  -0.202   5.891  -9.925
  432   1HB   GLU  43          2HB       GLU  43   1.561   5.669 -11.674
  433   2HB   GLU  43          1HB       GLU  43   2.269   4.336 -10.757
  434   1HG   GLU  43          2HG       GLU  43   0.402   2.933 -11.135
  435   2HG   GLU  43          1HG       GLU  43  -0.628   4.285 -11.606
  436    QB   GLU  43           QB       GLU  43   1.915   5.002 -11.216
  437    QG   GLU  43           QG       GLU  43  -0.113   3.609 -11.370
  438    H    TRP  44           H        TRP  44  -1.423   4.497  -8.674
  439    HA   TRP  44           HA       TRP  44  -0.031   2.721  -6.715
  440   1HB   TRP  44          2HB       TRP  44  -2.738   3.986  -7.027
  441   2HB   TRP  44          1HB       TRP  44  -2.574   2.543  -6.015
  442    HD1  TRP  44           HD       TRP  44  -1.518   6.199  -6.205
  443    HE1  TRP  44          1HE       TRP  44  -0.449   6.856  -3.949
  444    HE3  TRP  44          3HE       TRP  44  -1.338   1.622  -3.995
  445    HZ2  TRP  44          2HZ       TRP  44   0.379   5.579  -1.517
  446    HZ3  TRP  44          3HZ       TRP  44  -0.399   1.359  -1.708
  447    HH2  TRP  44           HH       TRP  44   0.462   3.331  -0.475
  448    QB   TRP  44           QB       TRP  44  -2.656   3.264  -6.521
  449    H    THR  45           H        THR  45   0.162   0.610  -7.151
  450    HA   THR  45           HA       THR  45  -1.887  -0.727  -8.872
  451    HB   THR  45           HB       THR  45  -0.192  -1.695 -10.244
  452    HG1  THR  45          1HG       THR  45   1.983  -1.586  -9.696
  453   1HG2  THR  45          2HG2      THR  45  -0.575   0.713 -10.708
  454   2HG2  THR  45          1HG2      THR  45   0.769   1.108  -9.633
  455   3HG2  THR  45          3HG2      THR  45   1.065   0.209 -11.123
  456    QG2  THR  45           QG2      THR  45   0.420   0.677 -10.488
  457    H    TYR  46           H        TYR  46  -2.476  -2.685  -8.044
  458    HA   TYR  46           HA       TYR  46  -1.071  -3.635  -5.595
  459   1HB   TYR  46          2HB       TYR  46  -3.439  -3.273  -5.375
  460   2HB   TYR  46          1HB       TYR  46  -3.777  -4.161  -6.863
  461    HD1  TYR  46          1HD       TYR  46  -1.734  -4.832  -3.783
  462    HD2  TYR  46          2HD       TYR  46  -4.789  -6.223  -6.460
  463    HE1  TYR  46          1HE       TYR  46  -1.895  -6.944  -2.500
  464    HE2  TYR  46          2HE       TYR  46  -4.950  -8.339  -5.176
  465    HH   TYR  46           HH       TYR  46  -2.923  -9.590  -3.439
  466    QB   TYR  46           QB       TYR  46  -3.608  -3.717  -6.119
  467    QG   TYR  46           QD       TYR  46  -3.262  -5.528  -5.122
  468    QZ   TYR  46           QE       TYR  46  -3.422  -7.642  -3.838
  469    QR   TYR  46           QR       TYR  46  -3.342  -6.585  -4.480
  470    H    ASP  47           H        ASP  47  -0.287  -5.791  -5.471
  471    HA   ASP  47           HA       ASP  47  -0.038  -7.233  -8.092
  472   1HB   ASP  47          2HB       ASP  47   1.795  -7.011  -5.682
  473   2HB   ASP  47          1HB       ASP  47   2.095  -8.090  -7.044
  474    QB   ASP  47           QB       ASP  47   1.945  -7.550  -6.363
  475    H    ASP  48           H        ASP  48  -1.732  -8.717  -7.896
  476    HA   ASP  48           HA       ASP  48  -2.458 -10.044  -5.434
  477   1HB   ASP  48          2HB       ASP  48  -3.857 -11.402  -6.981
  478   2HB   ASP  48          1HB       ASP  48  -3.994  -9.676  -7.309
  479    QB   ASP  48           QB       ASP  48  -3.925 -10.539  -7.145
  480    H    ALA  49           H        ALA  49   0.256 -10.512  -7.391
  481    HA   ALA  49           HA       ALA  49   0.427 -13.436  -7.027
  482   1HB   ALA  49          1HB       ALA  49   1.193 -11.825  -9.012
  483   2HB   ALA  49          3HB       ALA  49   2.653 -11.698  -8.032
  484   3HB   ALA  49          2HB       ALA  49   2.118 -13.274  -8.618
  485    QB   ALA  49           QB       ALA  49   1.988 -12.266  -8.554
  486    H    THR  50           H        THR  50   1.665 -10.448  -5.638
  487    HA   THR  50           HA       THR  50   3.161 -12.071  -3.608
  488    HB   THR  50           HB       THR  50   4.828 -10.223  -3.638
  489    HG1  THR  50          1HG       THR  50   4.332  -8.447  -4.605
  490   1HG2  THR  50          3HG2      THR  50   4.695 -12.275  -5.330
  491   2HG2  THR  50          2HG2      THR  50   4.513 -10.977  -6.508
  492   3HG2  THR  50          1HG2      THR  50   5.946 -11.042  -5.481
  493    QG2  THR  50           QG2      THR  50   5.051 -11.431  -5.773
  494    H    LYS  51           H        LYS  51   0.463 -10.268  -4.000
  495    HA   LYS  51           HA       LYS  51  -0.863  -8.935  -2.571
  496   1HB   LYS  51          2HB       LYS  51   1.019 -10.199  -0.545
  497   2HB   LYS  51          1HB       LYS  51  -0.540  -9.466  -0.170
  498   1HG   LYS  51          2HG       LYS  51  -0.686 -11.481  -2.310
  499   2HG   LYS  51          1HG       LYS  51  -0.142 -12.136  -0.767
  500   1HD   LYS  51          2HD       LYS  51  -2.179 -10.602   0.111
  501   2HD   LYS  51          1HD       LYS  51  -2.779 -10.975  -1.505
  502   1HE   LYS  51          2HE       LYS  51  -1.651 -13.237   0.100
  503   2HE   LYS  51          1HE       LYS  51  -3.258 -12.626   0.538
  504   1HZ   LYS  51          1HZ       LYS  51  -2.463 -13.232  -2.254
  505   2HZ   LYS  51          3HZ       LYS  51  -3.239 -14.362  -1.258
  506   3HZ   LYS  51          2HZ       LYS  51  -4.024 -12.912  -1.666
  507    QB   LYS  51           QB       LYS  51   0.239  -9.833  -0.358
  508    QG   LYS  51           QG       LYS  51  -0.414 -11.809  -1.539
  509    QD   LYS  51           QD       LYS  51  -2.479 -10.789  -0.697
  510    QE   LYS  51           QE       LYS  51  -2.455 -12.932   0.319
  511    QZ   LYS  51           QZ       LYS  51  -3.242 -13.502  -1.726
  512    H    THR  52           H        THR  52   1.364  -7.599  -3.807
  513    HA   THR  52           HA       THR  52   2.105  -5.640  -1.643
  514    HB   THR  52           HB       THR  52   3.699  -6.477  -4.085
  515    HG1  THR  52          1HG       THR  52   4.885  -7.691  -2.646
  516   1HG2  THR  52          3HG2      THR  52   4.063  -4.498  -1.891
  517   2HG2  THR  52          2HG2      THR  52   5.485  -5.412  -2.389
  518   3HG2  THR  52          1HG2      THR  52   4.610  -4.434  -3.567
  519    QG2  THR  52           QG2      THR  52   4.719  -4.781  -2.616
  520    H    PHE  53           H        PHE  53   1.904  -3.449  -2.170
  521    HA   PHE  53           HA       PHE  53   0.512  -2.827  -4.728
  522   1HB   PHE  53          2HB       PHE  53   0.841  -1.414  -2.070
  523   2HB   PHE  53          1HB       PHE  53   0.027  -0.676  -3.450
  524    HD1  PHE  53          1HD       PHE  53  -0.052  -3.590  -1.123
  525    HD2  PHE  53          2HD       PHE  53  -2.215  -1.273  -4.032
  526    HE1  PHE  53          1HE       PHE  53  -2.144  -4.804  -0.544
  527    HE2  PHE  53          2HE       PHE  53  -4.294  -2.484  -3.444
  528   1HZ   PHE  53           HZ       PHE  53  -4.259  -4.247  -1.704
  529    QB   PHE  53           QB       PHE  53   0.434  -1.045  -2.760
  530    QG   PHE  53           QD       PHE  53  -1.133  -2.432  -2.578
  531    QZ   PHE  53           QE       PHE  53  -3.219  -3.644  -1.994
  532    QZ   PHE  53           QR       PHE  53  -2.593  -3.280  -2.170
  533    H    THR  54           H        THR  54   1.227  -0.213  -5.279
  534    HA   THR  54           HA       THR  54   4.125   0.167  -4.958
  535    HB   THR  54           HB       THR  54   2.914  -0.382  -7.688
  536    HG1  THR  54          1HG       THR  54   3.034  -2.343  -6.850
  537   1HG2  THR  54          3HG2      THR  54   5.117   1.084  -7.118
  538   2HG2  THR  54          2HG2      THR  54   5.830  -0.528  -7.179
  539   3HG2  THR  54          1HG2      THR  54   4.959   0.104  -8.577
  540    QG2  THR  54           QG2      THR  54   5.302   0.220  -7.625
  541    H    VAL  55           H        VAL  55   4.278   2.333  -4.734
  542    HA   VAL  55           HA       VAL  55   2.341   4.070  -6.229
  543    HB   VAL  55           HB       VAL  55   1.806   4.228  -3.928
  544   1HG1  VAL  55          1HG1      VAL  55   4.772   4.341  -3.334
  545   2HG1  VAL  55          3HG1      VAL  55   3.488   4.544  -2.134
  546   3HG1  VAL  55          2HG1      VAL  55   3.659   3.004  -2.991
  547   1HG2  VAL  55          1HG2      VAL  55   2.134   6.468  -4.946
  548   2HG2  VAL  55          3HG2      VAL  55   2.452   6.473  -3.202
  549   3HG2  VAL  55          2HG2      VAL  55   3.796   6.472  -4.356
  550    QG1  VAL  55           QG1      VAL  55   3.973   3.963  -2.820
  551    QG2  VAL  55           QG2      VAL  55   2.794   6.471  -4.168
  552    QQG  VAL  55           QQG      VAL  55   3.384   5.217  -3.494
  553    H    THR  56           H        THR  56   3.644   4.387  -8.015
  554    HA   THR  56           HA       THR  56   6.454   5.195  -7.743
  555    HB   THR  56           HB       THR  56   4.621   4.049  -9.691
  556    HG1  THR  56          1HG       THR  56   6.320   2.889  -9.719
  557   1HG2  THR  56          1HG2      THR  56   6.304   6.351 -10.689
  558   2HG2  THR  56          3HG2      THR  56   5.782   5.026 -11.733
  559   3HG2  THR  56          2HG2      THR  56   4.579   6.061 -10.954
  560    QG2  THR  56           QG2      THR  56   5.555   5.813 -11.125
  561    H    GLU  57           H        GLU  57   6.326   7.224  -6.644
  562    HA   GLU  57           HA       GLU  57   4.622   9.417  -7.410
  563   1HB   GLU  57          2HB       GLU  57   5.873   9.062  -5.241
  564   2HB   GLU  57          1HB       GLU  57   7.359   9.483  -6.092
  565   1HG   GLU  57          2HG       GLU  57   5.013  11.341  -6.277
  566   2HG   GLU  57          1HG       GLU  57   5.992  11.346  -4.809
  567    QB   GLU  57           QB       GLU  57   6.616   9.272  -5.667
  568    QG   GLU  57           QG       GLU  57   5.503  11.343  -5.543
   
  No H/Q in entry =         568
  Start of MODEL   36
    1   1H    MET   1          1HT       MET   1  -0.573 -16.092   4.007
    2   2H    MET   1          3HT       MET   1  -0.334 -16.840   5.511
    3   3H    MET   1          2HT       MET   1  -1.906 -16.464   4.991
    4    HA   MET   1           HA       MET   1  -1.352 -14.807   6.571
    5   1HB   MET   1          2HB       MET   1   0.836 -13.622   6.335
    6   2HB   MET   1          1HB       MET   1   1.038 -15.354   6.590
    7   1HG   MET   1          2HG       MET   1   0.834 -14.434   3.762
    8   2HG   MET   1          1HG       MET   1   2.316 -14.027   4.623
    9   1HE   MET   1          1HE       MET   1   3.978 -15.322   5.332
   10   2HE   MET   1          3HE       MET   1   3.174 -16.391   6.490
   11   3HE   MET   1          2HE       MET   1   4.201 -17.066   5.227
   12    QB   MET   1           QB       MET   1   0.937 -14.488   6.463
   13    QG   MET   1           QG       MET   1   1.575 -14.230   4.193
   14    QE   MET   1           QE       MET   1   3.784 -16.260   5.683
   15    H    THR   2           H        THR   2  -1.874 -12.570   6.235
   16    HA   THR   2           HA       THR   2  -2.416 -11.843   3.374
   17    HB   THR   2           HB       THR   2  -3.820 -10.993   5.927
   18    HG1  THR   2          1HG       THR   2  -4.369 -13.058   5.671
   19   1HG2  THR   2          2HG2      THR   2  -4.101 -10.310   3.046
   20   2HG2  THR   2          1HG2      THR   2  -5.596 -10.575   3.945
   21   3HG2  THR   2          3HG2      THR   2  -4.456  -9.337   4.473
   22    QG2  THR   2           QG2      THR   2  -4.718 -10.074   3.821
   23    H    THR   3           H        THR   3   0.038 -11.287   5.128
   24    HA   THR   3           HA       THR   3   0.023  -8.481   5.833
   25    HB   THR   3           HB       THR   3   2.337 -10.308   5.114
   26    HG1  THR   3          1HG       THR   3   2.264 -10.962   7.212
   27   1HG2  THR   3          1HG2      THR   3   2.425  -7.640   5.600
   28   2HG2  THR   3          3HG2      THR   3   2.530  -8.259   7.248
   29   3HG2  THR   3          2HG2      THR   3   3.723  -8.749   6.044
   30    QG2  THR   3           QG2      THR   3   2.893  -8.216   6.297
   31    H    PHE   4           H        PHE   4  -0.517  -7.084   4.159
   32    HA   PHE   4           HA       PHE   4   0.512  -7.468   1.436
   33   1HB   PHE   4          2HB       PHE   4  -1.132  -5.356   2.859
   34   2HB   PHE   4          1HB       PHE   4  -0.738  -5.267   1.141
   35    HD1  PHE   4          1HD       PHE   4  -1.247  -7.440  -0.257
   36    HD2  PHE   4          2HD       PHE   4  -3.063  -6.501   3.521
   37    HE1  PHE   4          1HE       PHE   4  -3.108  -8.999  -0.766
   38    HE2  PHE   4          2HE       PHE   4  -4.924  -8.058   3.011
   39   1HZ   PHE   4           HZ       PHE   4  -4.946  -9.308   0.869
   40    QB   PHE   4           QB       PHE   4  -0.935  -5.312   2.000
   41    QG   PHE   4           QD       PHE   4  -2.155  -6.970   1.632
   42    QZ   PHE   4           QE       PHE   4  -4.016  -8.528   1.123
   43    QZ   PHE   4           QR       PHE   4  -3.457  -8.061   1.276
   44    H    LYS   5           H        LYS   5   2.018  -6.077   0.405
   45    HA   LYS   5           HA       LYS   5   3.678  -4.386   2.250
   46   1HB   LYS   5          2HB       LYS   5   4.411  -6.063  -0.175
   47   2HB   LYS   5          1HB       LYS   5   5.546  -5.054   0.722
   48   1HG   LYS   5          2HG       LYS   5   5.646  -6.500   2.490
   49   2HG   LYS   5          1HG       LYS   5   3.942  -6.938   2.358
   50   1HD   LYS   5          2HD       LYS   5   4.678  -8.124   0.147
   51   2HD   LYS   5          1HD       LYS   5   6.297  -8.041   0.844
   52   1HE   LYS   5          2HE       LYS   5   4.954  -8.991   2.992
   53   2HE   LYS   5          1HE       LYS   5   3.964  -9.682   1.690
   54   1HZ   LYS   5          1HZ       LYS   5   6.031 -10.426   0.616
   55   2HZ   LYS   5          3HZ       LYS   5   6.918  -9.872   1.951
   56   3HZ   LYS   5          2HZ       LYS   5   5.808 -11.145   2.138
   57    QB   LYS   5           QB       LYS   5   4.979  -5.558   0.274
   58    QG   LYS   5           QG       LYS   5   4.794  -6.719   2.424
   59    QD   LYS   5           QD       LYS   5   5.488  -8.083   0.495
   60    QE   LYS   5           QE       LYS   5   4.459  -9.336   2.341
   61    QZ   LYS   5           QZ       LYS   5   6.252 -10.481   1.568
   62    H    LEU   6           H        LEU   6   5.056  -2.803   0.720
   63    HA   LEU   6           HA       LEU   6   3.529  -1.829  -1.616
   64   1HB   LEU   6          2HB       LEU   6   2.365  -0.880   0.325
   65   2HB   LEU   6          1HB       LEU   6   3.886  -0.254   0.957
   66    HG   LEU   6           HG       LEU   6   4.112   1.066  -1.203
   67   1HD1  LEU   6          2HD1      LEU   6   2.441  -0.366  -2.440
   68   2HD1  LEU   6          1HD1      LEU   6   1.171   0.397  -1.482
   69   3HD1  LEU   6          3HD1      LEU   6   2.152   1.369  -2.578
   70   1HD2  LEU   6          1HD2      LEU   6   2.984   1.754   1.129
   71   2HD2  LEU   6          3HD2      LEU   6   3.014   2.858  -0.246
   72   3HD2  LEU   6          2HD2      LEU   6   1.561   1.918   0.099
   73    QB   LEU   6           QB       LEU   6   3.125  -0.567   0.641
   74    QD1  LEU   6           QD1      LEU   6   1.921   0.467  -2.167
   75    QD2  LEU   6           QD2      LEU   6   2.520   2.177   0.327
   76    QQD  LEU   6           QQD      LEU   6   2.221   1.322  -0.920
   77    H    ILE   7           H        ILE   7   5.203  -1.613  -3.031
   78    HA   ILE   7           HA       ILE   7   7.909  -0.864  -2.163
   79    HB   ILE   7           HB       ILE   7   6.608  -1.358  -4.869
   80   1HG1  ILE   7          2HG1      ILE   7   8.407  -3.155  -3.216
   81   2HG1  ILE   7          1HG1      ILE   7   6.648  -3.283  -3.242
   82   1HG2  ILE   7          1HG2      ILE   7   9.497  -0.990  -4.043
   83   2HG2  ILE   7          3HG2      ILE   7   9.025  -1.742  -5.567
   84   3HG2  ILE   7          2HG2      ILE   7   8.591  -0.064  -5.240
   85   1HD1  ILE   7          2HD1      ILE   7   8.314  -3.379  -5.764
   86   2HD1  ILE   7          1HD1      ILE   7   7.902  -4.827  -4.847
   87   3HD1  ILE   7          3HD1      ILE   7   6.625  -3.845  -5.562
   88    QG1  ILE   7           QG1      ILE   7   7.527  -3.219  -3.229
   89    QG2  ILE   7           QG2      ILE   7   9.038  -0.932  -4.950
   90    QD1  ILE   7           QD1      ILE   7   7.613  -4.017  -5.391
   91    H    ILE   8           H        ILE   8   8.315   1.302  -1.801
   92    HA   ILE   8           HA       ILE   8   6.631   3.299  -3.188
   93    HB   ILE   8           HB       ILE   8   8.820   3.949  -1.228
   94   1HG1  ILE   8          2HG1      ILE   8   7.317   2.059  -0.306
   95   2HG1  ILE   8          1HG1      ILE   8   7.447   3.508   0.671
   96   1HG2  ILE   8          1HG2      ILE   8   6.336   5.201  -2.313
   97   2HG2  ILE   8          3HG2      ILE   8   6.795   5.601  -0.655
   98   3HG2  ILE   8          2HG2      ILE   8   7.916   5.925  -1.978
   99   1HD1  ILE   8          3HD1      ILE   8   5.244   3.532  -1.293
  100   2HD1  ILE   8          2HD1      ILE   8   5.088   2.331  -0.013
  101   3HD1  ILE   8          1HD1      ILE   8   5.256   4.040   0.396
  102    QG1  ILE   8           QG1      ILE   8   7.382   2.784   0.182
  103    QG2  ILE   8           QG2      ILE   8   7.016   5.576  -1.649
  104    QD1  ILE   8           QD1      ILE   8   5.196   3.301  -0.303
  105    H    ASN   9           H        ASN   9   7.390   4.159  -5.090
  106    HA   ASN   9           HA       ASN   9  10.362   4.271  -5.502
  107   1HB   ASN   9          2HB       ASN   9   9.264   2.679  -6.973
  108   2HB   ASN   9          1HB       ASN   9   8.042   3.862  -7.414
  109   1HD2  ASN   9          1HD2      ASN   9   8.477   5.108  -9.270
  110   2HD2  ASN   9          2HD2      ASN   9  10.004   5.230 -10.005
  111    QB   ASN   9           QB       ASN   9   8.653   3.271  -7.194
  112    QD2  ASN   9           QD2      ASN   9   9.241   5.169  -9.637
  113    H    GLY  10           H        GLY  10  10.022   6.418  -4.296
  114   1HA   GLY  10          2HA       GLY  10   9.485   8.552  -6.300
  115   2HA   GLY  10          1HA       GLY  10   8.695   8.652  -4.725
  116    QA   GLY  10           QA       GLY  10   9.090   8.602  -5.513
  117    H    LYS  11           H        LYS  11   9.824   9.575  -3.064
  118    HA   LYS  11           HA       LYS  11  12.787   9.683  -3.169
  119   1HB   LYS  11          2HB       LYS  11  12.734  12.160  -2.967
  120   2HB   LYS  11          1HB       LYS  11  12.003  11.612  -4.474
  121   1HG   LYS  11          2HG       LYS  11   9.754  11.743  -3.345
  122   2HG   LYS  11          1HG       LYS  11  10.555  12.481  -1.957
  123   1HD   LYS  11          2HD       LYS  11  11.540  14.011  -4.002
  124   2HD   LYS  11          1HD       LYS  11   9.924  13.638  -4.604
  125   1HE   LYS  11          2HE       LYS  11   9.394  15.493  -3.323
  126   2HE   LYS  11          1HE       LYS  11   9.305  14.268  -2.042
  127   1HZ   LYS  11          3HZ       LYS  11  11.679  14.623  -1.622
  128   2HZ   LYS  11          2HZ       LYS  11  11.705  15.857  -2.789
  129   3HZ   LYS  11          1HZ       LYS  11  10.787  16.044  -1.373
  130    QB   LYS  11           QB       LYS  11  12.369  11.886  -3.720
  131    QG   LYS  11           QG       LYS  11  10.154  12.112  -2.651
  132    QD   LYS  11           QD       LYS  11  10.732  13.825  -4.303
  133    QE   LYS  11           QE       LYS  11   9.349  14.881  -2.682
  134    QZ   LYS  11           QZ       LYS  11  11.390  15.508  -1.928
  135    H    THR  12           H        THR  12   9.818  10.625  -1.406
  136    HA   THR  12           HA       THR  12  11.139  11.031   1.141
  137    HB   THR  12           HB       THR  12   8.247  10.277   0.677
  138    HG1  THR  12          1HG       THR  12   9.505  12.782   0.256
  139   1HG2  THR  12          2HG2      THR  12   9.810  11.369   2.864
  140   2HG2  THR  12          1HG2      THR  12   8.524  12.481   2.400
  141   3HG2  THR  12          3HG2      THR  12   8.132  10.825   2.857
  142    QG2  THR  12           QG2      THR  12   8.822  11.558   2.707
  143    H    LEU  13           H        LEU  13   9.765   8.246  -0.516
  144    HA   LEU  13           HA       LEU  13  10.563   6.524   1.809
  145   1HB   LEU  13          2HB       LEU  13   8.046   6.835   0.294
  146   2HB   LEU  13          1HB       LEU  13   8.548   5.163   0.530
  147    HG   LEU  13           HG       LEU  13   8.387   7.186   2.777
  148   1HD1  LEU  13          3HD1      LEU  13   6.353   5.268   1.644
  149   2HD1  LEU  13          2HD1      LEU  13   6.328   5.697   3.358
  150   3HD1  LEU  13          1HD1      LEU  13   6.139   6.950   2.133
  151   1HD2  LEU  13          2HD2      LEU  13   8.635   4.161   2.691
  152   2HD2  LEU  13          1HD2      LEU  13   9.882   5.295   3.209
  153   3HD2  LEU  13          3HD2      LEU  13   8.412   5.106   4.163
  154    QB   LEU  13           QB       LEU  13   8.297   5.999   0.412
  155    QD1  LEU  13           QD1      LEU  13   6.273   5.972   2.378
  156    QD2  LEU  13           QD2      LEU  13   8.976   4.854   3.355
  157    QQD  LEU  13           QQD      LEU  13   7.625   5.413   2.867
  158    H    LYS  14           H        LYS  14  10.863   4.172   1.027
  159    HA   LYS  14           HA       LYS  14  11.368   3.581  -1.726
  160   1HB   LYS  14          2HB       LYS  14  13.867   3.568  -1.580
  161   2HB   LYS  14          1HB       LYS  14  13.191   5.187  -1.401
  162   1HG   LYS  14          2HG       LYS  14  13.277   4.026   1.205
  163   2HG   LYS  14          1HG       LYS  14  14.839   3.718   0.449
  164   1HD   LYS  14          2HD       LYS  14  13.502   6.438   0.555
  165   2HD   LYS  14          1HD       LYS  14  14.755   5.901   1.674
  166   1HE   LYS  14          2HE       LYS  14  16.399   5.790  -0.049
  167   2HE   LYS  14          1HE       LYS  14  15.172   5.881  -1.329
  168   1HZ   LYS  14          2HZ       LYS  14  14.542   8.073  -0.514
  169   2HZ   LYS  14          1HZ       LYS  14  15.747   7.996   0.681
  170   3HZ   LYS  14          3HZ       LYS  14  16.182   8.048  -0.957
  171    QB   LYS  14           QB       LYS  14  13.529   4.378  -1.490
  172    QG   LYS  14           QG       LYS  14  14.058   3.872   0.827
  173    QD   LYS  14           QD       LYS  14  14.129   6.170   1.114
  174    QE   LYS  14           QE       LYS  14  15.786   5.835  -0.689
  175    QZ   LYS  14           QZ       LYS  14  15.491   8.039  -0.263
  176    H    GLY  15           H        GLY  15  10.048   1.817  -0.592
  177   1HA   GLY  15          2HA       GLY  15  11.308  -0.604  -0.392
  178   2HA   GLY  15          1HA       GLY  15  11.517   0.052   1.233
  179    QA   GLY  15           QA       GLY  15  11.412  -0.276   0.421
  180    H    GLU  16           H        GLU  16  10.162  -1.963   1.685
  181    HA   GLU  16           HA       GLU  16   7.237  -1.328   1.427
  182   1HB   GLU  16          2HB       GLU  16   8.778  -3.938   1.441
  183   2HB   GLU  16          1HB       GLU  16   7.019  -3.854   1.549
  184   1HG   GLU  16          2HG       GLU  16   6.777  -3.175  -0.636
  185   2HG   GLU  16          1HG       GLU  16   8.318  -2.317  -0.650
  186    QB   GLU  16           QB       GLU  16   7.898  -3.896   1.495
  187    QG   GLU  16           QG       GLU  16   7.548  -2.746  -0.643
  188    H    ILE  17           H        ILE  17   6.101  -1.250   3.342
  189    HA   ILE  17           HA       ILE  17   7.608  -1.648   5.866
  190    HB   ILE  17           HB       ILE  17   6.376   0.443   5.430
  191   1HG1  ILE  17          2HG1      ILE  17   4.879  -1.105   7.552
  192   2HG1  ILE  17          1HG1      ILE  17   6.559  -0.614   7.762
  193   1HG2  ILE  17          1HG2      ILE  17   4.065  -1.466   5.085
  194   2HG2  ILE  17          3HG2      ILE  17   3.794   0.212   5.557
  195   3HG2  ILE  17          2HG2      ILE  17   4.582  -0.157   4.024
  196   1HD1  ILE  17          3HD1      ILE  17   4.385   1.347   7.007
  197   2HD1  ILE  17          2HD1      ILE  17   4.802   0.999   8.685
  198   3HD1  ILE  17          1HD1      ILE  17   6.006   1.702   7.605
  199    QG1  ILE  17           QG1      ILE  17   5.719  -0.859   7.657
  200    QG2  ILE  17           QG2      ILE  17   4.147  -0.470   4.889
  201    QD1  ILE  17           QD1      ILE  17   5.064   1.349   7.766
  202    H    THR  18           H        THR  18   5.273  -3.307   3.938
  203    HA   THR  18           HA       THR  18   3.997  -5.243   4.277
  204    HB   THR  18           HB       THR  18   5.099  -6.950   5.509
  205    HG1  THR  18          1HG       THR  18   6.479  -6.517   7.198
  206   1HG2  THR  18          3HG2      THR  18   6.563  -5.296   3.800
  207   2HG2  THR  18          2HG2      THR  18   7.624  -5.539   5.187
  208   3HG2  THR  18          1HG2      THR  18   6.998  -6.930   4.302
  209    QG2  THR  18           QG2      THR  18   7.062  -5.922   4.430
  210    H    ILE  19           H        ILE  19   1.967  -4.885   5.028
  211    HA   ILE  19           HA       ILE  19   1.592  -4.640   7.985
  212    HB   ILE  19           HB       ILE  19  -0.082  -2.866   7.562
  213   1HG1  ILE  19          2HG1      ILE  19   0.337  -1.919   5.033
  214   2HG1  ILE  19          1HG1      ILE  19   0.462  -3.655   4.753
  215   1HG2  ILE  19          2HG2      ILE  19   2.595  -2.569   7.628
  216   2HG2  ILE  19          1HG2      ILE  19   2.275  -1.880   6.036
  217   3HG2  ILE  19          3HG2      ILE  19   1.493  -1.202   7.464
  218   1HD1  ILE  19          3HD1      ILE  19  -1.719  -3.730   6.252
  219   2HD1  ILE  19          2HD1      ILE  19  -1.882  -2.056   5.720
  220   3HD1  ILE  19          1HD1      ILE  19  -1.831  -3.359   4.531
  221    QG1  ILE  19           QG1      ILE  19   0.400  -2.787   4.893
  222    QG2  ILE  19           QG2      ILE  19   2.121  -1.884   7.042
  223    QD1  ILE  19           QD1      ILE  19  -1.811  -3.048   5.501
  224    H    GLU  20           H        GLU  20  -0.113  -5.863   8.751
  225    HA   GLU  20           HA       GLU  20  -1.469  -7.684   6.877
  226   1HB   GLU  20          2HB       GLU  20  -0.460  -8.171   9.204
  227   2HB   GLU  20          1HB       GLU  20  -1.901  -7.386   9.853
  228   1HG   GLU  20          2HG       GLU  20  -3.330  -9.044   9.054
  229   2HG   GLU  20          1HG       GLU  20  -2.209  -9.539   7.785
  230    QB   GLU  20           QB       GLU  20  -1.181  -7.778   9.529
  231    QG   GLU  20           QG       GLU  20  -2.770  -9.292   8.420
  232    H    ALA  21           H        ALA  21  -3.820  -7.857   6.777
  233    HA   ALA  21           HA       ALA  21  -5.525  -5.818   7.996
  234   1HB   ALA  21          2HB       ALA  21  -4.788  -5.726   5.052
  235   2HB   ALA  21          1HB       ALA  21  -6.093  -4.783   5.775
  236   3HB   ALA  21          3HB       ALA  21  -4.422  -4.501   6.266
  237    QB   ALA  21           QB       ALA  21  -5.101  -5.003   5.698
  238    H    VAL  22           H        VAL  22  -7.820  -6.045   7.101
  239    HA   VAL  22           HA       VAL  22  -8.743  -8.701   7.155
  240    HB   VAL  22           HB       VAL  22 -10.081  -6.667   7.580
  241   1HG1  VAL  22          2HG1      VAL  22  -8.979  -5.450   5.577
  242   2HG1  VAL  22          1HG1      VAL  22 -10.208  -6.245   4.595
  243   3HG1  VAL  22          3HG1      VAL  22 -10.689  -5.140   5.881
  244   1HG2  VAL  22          3HG2      VAL  22 -10.957  -8.696   5.560
  245   2HG2  VAL  22          2HG2      VAL  22 -11.560  -8.405   7.190
  246   3HG2  VAL  22          1HG2      VAL  22 -12.019  -7.324   5.875
  247    QG1  VAL  22           QG1      VAL  22  -9.959  -5.612   5.351
  248    QG2  VAL  22           QG2      VAL  22 -11.512  -8.142   6.208
  249    QQG  VAL  22           QQG      VAL  22 -10.736  -6.877   5.780
  250    H    ASP  23           H        ASP  23  -7.915  -6.653   4.385
  251    HA   ASP  23           HA       ASP  23  -7.487  -9.001   2.674
  252   1HB   ASP  23          2HB       ASP  23  -9.932  -7.304   2.617
  253   2HB   ASP  23          1HB       ASP  23  -9.228  -7.701   1.049
  254    QB   ASP  23           QB       ASP  23  -9.580  -7.503   1.833
  255    H    ALA  24           H        ALA  24  -6.932  -8.102   0.346
  256    HA   ALA  24           HA       ALA  24  -4.807  -6.198   0.597
  257   1HB   ALA  24          1HB       ALA  24  -5.365  -8.059  -1.173
  258   2HB   ALA  24          3HB       ALA  24  -6.247  -6.766  -1.988
  259   3HB   ALA  24          2HB       ALA  24  -4.513  -6.606  -1.696
  260    QB   ALA  24           QB       ALA  24  -5.375  -7.144  -1.619
  261    H    ALA  25           H        ALA  25  -8.218  -5.875  -0.276
  262    HA   ALA  25           HA       ALA  25  -8.252  -3.287  -1.397
  263   1HB   ALA  25          1HB       ALA  25 -10.108  -5.102   0.042
  264   2HB   ALA  25          3HB       ALA  25 -10.584  -3.405  -0.004
  265   3HB   ALA  25          2HB       ALA  25 -10.317  -4.287  -1.507
  266    QB   ALA  25           QB       ALA  25 -10.336  -4.265  -0.490
  267    H    GLU  26           H        GLU  26  -8.666  -4.239   2.020
  268    HA   GLU  26           HA       GLU  26  -8.739  -1.578   3.103
  269   1HB   GLU  26          2HB       GLU  26  -9.455  -3.738   4.196
  270   2HB   GLU  26          1HB       GLU  26  -7.753  -4.163   4.366
  271   1HG   GLU  26          2HG       GLU  26  -8.020  -3.142   6.404
  272   2HG   GLU  26          1HG       GLU  26  -7.696  -1.692   5.452
  273    QB   GLU  26           QB       GLU  26  -8.604  -3.951   4.281
  274    QG   GLU  26           QG       GLU  26  -7.858  -2.417   5.928
  275    H    ALA  27           H        ALA  27  -6.088  -3.876   2.496
  276    HA   ALA  27           HA       ALA  27  -3.943  -2.454   3.713
  277   1HB   ALA  27          1HB       ALA  27  -4.364  -4.559   1.690
  278   2HB   ALA  27          3HB       ALA  27  -2.860  -3.663   1.477
  279   3HB   ALA  27          2HB       ALA  27  -3.189  -4.489   3.002
  280    QB   ALA  27           QB       ALA  27  -3.471  -4.237   2.056
  281    H    GLU  28           H        GLU  28  -5.322  -2.222   0.422
  282    HA   GLU  28           HA       GLU  28  -3.499  -0.297  -0.642
  283   1HB   GLU  28          2HB       GLU  28  -5.379  -1.723  -1.740
  284   2HB   GLU  28          1HB       GLU  28  -6.454  -0.407  -1.265
  285   1HG   GLU  28          2HG       GLU  28  -4.701   1.140  -2.409
  286   2HG   GLU  28          1HG       GLU  28  -4.134  -0.335  -3.195
  287    QB   GLU  28           QB       GLU  28  -5.917  -1.065  -1.503
  288    QG   GLU  28           QG       GLU  28  -4.417   0.402  -2.802
  289    H    LYS  29           H        LYS  29  -6.379   0.023   1.398
  290    HA   LYS  29           HA       LYS  29  -6.559   2.920   1.255
  291   1HB   LYS  29          2HB       LYS  29  -7.465   0.945   3.386
  292   2HB   LYS  29          1HB       LYS  29  -8.057   2.594   3.196
  293   1HG   LYS  29          2HG       LYS  29  -8.291   0.465   1.053
  294   2HG   LYS  29          1HG       LYS  29  -9.572   0.848   2.201
  295   1HD   LYS  29          2HD       LYS  29  -8.305   2.848   0.307
  296   2HD   LYS  29          1HD       LYS  29  -9.844   2.036   0.025
  297   1HE   LYS  29          2HE       LYS  29 -10.656   2.991   2.230
  298   2HE   LYS  29          1HE       LYS  29  -9.177   3.972   2.265
  299   1HZ   LYS  29          3HZ       LYS  29  -9.742   4.741   0.004
  300   2HZ   LYS  29          2HZ       LYS  29 -11.224   3.917   0.111
  301   3HZ   LYS  29          1HZ       LYS  29 -10.891   5.213   1.159
  302    QB   LYS  29           QB       LYS  29  -7.761   1.770   3.291
  303    QG   LYS  29           QG       LYS  29  -8.931   0.656   1.627
  304    QD   LYS  29           QD       LYS  29  -9.074   2.442   0.166
  305    QE   LYS  29           QE       LYS  29  -9.917   3.481   2.248
  306    QZ   LYS  29           QZ       LYS  29 -10.619   4.623   0.424
  307    H    ILE  30           H        ILE  30  -5.234   0.631   3.653
  308    HA   ILE  30           HA       ILE  30  -4.100   2.545   5.451
  309    HB   ILE  30           HB       ILE  30  -3.276  -0.293   4.709
  310   1HG1  ILE  30          2HG1      ILE  30  -5.016   0.726   6.979
  311   2HG1  ILE  30          1HG1      ILE  30  -5.641   0.017   5.490
  312   1HG2  ILE  30          1HG2      ILE  30  -1.559   1.099   5.990
  313   2HG2  ILE  30          3HG2      ILE  30  -2.736   1.184   7.301
  314   3HG2  ILE  30          2HG2      ILE  30  -2.089  -0.377   6.796
  315   1HD1  ILE  30          3HD1      ILE  30  -3.774  -1.856   6.291
  316   2HD1  ILE  30          2HD1      ILE  30  -4.443  -1.302   7.827
  317   3HD1  ILE  30          1HD1      ILE  30  -5.510  -1.962   6.588
  318    QG1  ILE  30           QG1      ILE  30  -5.329   0.371   6.235
  319    QG2  ILE  30           QG2      ILE  30  -2.128   0.635   6.696
  320    QD1  ILE  30           QD1      ILE  30  -4.576  -1.707   6.902
  321    H    PHE  31           H        PHE  31  -2.907   1.046   2.483
  322    HA   PHE  31           HA       PHE  31  -0.218   2.176   2.676
  323   1HB   PHE  31          2HB       PHE  31  -1.882   0.654   0.684
  324   2HB   PHE  31          1HB       PHE  31  -0.375   1.399   0.150
  325    HD1  PHE  31          2HD       PHE  31   1.488   1.107   2.278
  326    HD2  PHE  31          1HD       PHE  31  -1.596  -1.620   1.058
  327    HE1  PHE  31          2HE       PHE  31   2.767  -0.776   3.259
  328    HE2  PHE  31          1HE       PHE  31  -0.316  -3.505   2.040
  329   1HZ   PHE  31           HZ       PHE  31   1.866  -3.081   3.140
  330    QB   PHE  31           QB       PHE  31  -1.129   1.026   0.417
  331    QG   PHE  31           QD       PHE  31  -0.054  -0.256   1.668
  332    QZ   PHE  31           QE       PHE  31   1.226  -2.140   2.650
  333    QZ   PHE  31           QR       PHE  31   0.842  -1.575   2.355
  334    H    LYS  32           H        LYS  32  -3.213   2.953   0.911
  335    HA   LYS  32           HA       LYS  32  -2.112   5.184  -0.534
  336   1HB   LYS  32          2HB       LYS  32  -4.873   4.158   0.093
  337   2HB   LYS  32          1HB       LYS  32  -4.633   5.632  -0.843
  338   1HG   LYS  32          2HG       LYS  32  -3.003   3.301  -1.696
  339   2HG   LYS  32          1HG       LYS  32  -4.741   3.160  -1.966
  340   1HD   LYS  32          2HD       LYS  32  -3.055   5.519  -2.854
  341   2HD   LYS  32          1HD       LYS  32  -3.553   4.191  -3.903
  342   1HE   LYS  32          2HE       LYS  32  -5.963   4.892  -2.837
  343   2HE   LYS  32          1HE       LYS  32  -5.147   6.467  -2.879
  344   1HZ   LYS  32          2HZ       LYS  32  -4.504   6.033  -5.171
  345   2HZ   LYS  32          1HZ       LYS  32  -5.319   4.542  -5.137
  346   3HZ   LYS  32          3HZ       LYS  32  -6.195   5.988  -5.008
  347    QB   LYS  32           QB       LYS  32  -4.753   4.895  -0.375
  348    QG   LYS  32           QG       LYS  32  -3.872   3.230  -1.831
  349    QD   LYS  32           QD       LYS  32  -3.304   4.855  -3.379
  350    QE   LYS  32           QE       LYS  32  -5.555   5.679  -2.858
  351    QZ   LYS  32           QZ       LYS  32  -5.339   5.521  -5.105
  352    H    GLN  33           H        GLN  33  -2.730   4.870   2.762
  353    HA   GLN  33           HA       GLN  33  -3.407   7.785   3.084
  354   1HB   GLN  33          2HB       GLN  33  -3.672   5.284   4.763
  355   2HB   GLN  33          1HB       GLN  33  -3.668   6.872   5.531
  356   1HG   GLN  33          2HG       GLN  33  -5.459   6.504   3.177
  357   2HG   GLN  33          1HG       GLN  33  -5.936   5.724   4.686
  358   1HE2  GLN  33          2HE2      GLN  33  -5.996   9.808   4.415
  359   2HE2  GLN  33          1HE2      GLN  33  -5.247   8.889   3.200
  360    QB   GLN  33           QB       GLN  33  -3.670   6.078   5.147
  361    QG   GLN  33           QG       GLN  33  -5.698   6.114   3.932
  362    QE2  GLN  33           QE2      GLN  33  -5.622   9.348   3.808
  363    H    TYR  34           H        TYR  34  -1.391   5.117   4.060
  364    HA   TYR  34           HA       TYR  34   0.657   6.250   5.594
  365   1HB   TYR  34          2HB       TYR  34   0.462   3.918   5.285
  366   2HB   TYR  34          1HB       TYR  34   0.271   4.077   3.537
  367    HD1  TYR  34          1HD       TYR  34   2.864   5.265   6.011
  368    HD2  TYR  34          2HD       TYR  34   2.054   3.016   2.442
  369    HE1  TYR  34          1HE       TYR  34   5.287   4.808   5.748
  370    HE2  TYR  34          2HE       TYR  34   4.477   2.562   2.178
  371    HH   TYR  34           HH       TYR  34   6.744   3.186   4.665
  372    QB   TYR  34           QB       TYR  34   0.367   3.997   4.411
  373    QG   TYR  34           QD       TYR  34   2.459   4.140   4.227
  374    QZ   TYR  34           QE       TYR  34   4.882   3.685   3.963
  375    QR   TYR  34           QR       TYR  34   3.670   3.912   4.095
  376    H    ALA  35           H        ALA  35   0.048   6.437   2.114
  377    HA   ALA  35           HA       ALA  35   2.635   7.675   1.418
  378   1HB   ALA  35          2HB       ALA  35   0.194   6.632   0.111
  379   2HB   ALA  35          1HB       ALA  35   0.834   8.095  -0.655
  380   3HB   ALA  35          3HB       ALA  35   1.860   6.662  -0.492
  381    QB   ALA  35           QB       ALA  35   0.963   7.129  -0.345
  382    H    ASN  36           H        ASN  36  -0.802   8.694   1.349
  383    HA   ASN  36           HA       ASN  36  -0.384  11.467   0.838
  384   1HB   ASN  36          2HB       ASN  36  -2.543   9.727   1.944
  385   2HB   ASN  36          1HB       ASN  36  -2.734  11.475   2.059
  386   1HD2  ASN  36          1HD2      ASN  36  -1.373   9.342  -0.527
  387   2HD2  ASN  36          2HD2      ASN  36  -2.337   9.989  -1.764
  388    QB   ASN  36           QB       ASN  36  -2.639  10.601   2.001
  389    QD2  ASN  36           QD2      ASN  36  -1.855   9.666  -1.145
  390    H    ASP  37           H        ASP  37  -0.900   9.774   3.942
  391    HA   ASP  37           HA       ASP  37  -1.023  11.873   5.753
  392   1HB   ASP  37          2HB       ASP  37  -1.043   9.314   6.066
  393   2HB   ASP  37          1HB       ASP  37   0.711   9.445   6.199
  394    QB   ASP  37           QB       ASP  37  -0.166   9.380   6.133
  395    H    ASN  38           H        ASN  38   1.785  10.786   4.018
  396    HA   ASN  38           HA       ASN  38   3.534  12.671   5.467
  397   1HB   ASN  38          2HB       ASN  38   3.949  10.122   4.869
  398   2HB   ASN  38          1HB       ASN  38   4.432  10.795   3.312
  399   1HD2  ASN  38          2HD2      ASN  38   7.203  12.657   4.809
  400   2HD2  ASN  38          1HD2      ASN  38   5.953  12.898   3.687
  401    QB   ASN  38           QB       ASN  38   4.191  10.459   4.091
  402    QD2  ASN  38           QD2      ASN  38   6.578  12.778   4.248
  403    H    GLY  39           H        GLY  39   2.553  11.739   2.185
  404   1HA   GLY  39          2HA       GLY  39   1.890  13.770   0.745
  405   2HA   GLY  39          1HA       GLY  39   3.497  14.383   1.162
  406    QA   GLY  39           QA       GLY  39   2.694  14.077   0.953
  407    H    ILE  40           H        ILE  40   2.022  11.350  -0.043
  408    HA   ILE  40           HA       ILE  40   4.416  11.004  -1.821
  409    HB   ILE  40           HB       ILE  40   2.500   9.130  -0.474
  410   1HG1  ILE  40          2HG1      ILE  40   4.636  10.552   0.618
  411   2HG1  ILE  40          1HG1      ILE  40   3.864   9.152   1.333
  412   1HG2  ILE  40          3HG2      ILE  40   3.333   8.228  -2.622
  413   2HG2  ILE  40          2HG2      ILE  40   4.984   8.414  -2.028
  414   3HG2  ILE  40          1HG2      ILE  40   3.880   7.292  -1.228
  415   1HD1  ILE  40          2HD1      ILE  40   6.155   8.955  -0.615
  416   2HD1  ILE  40          1HD1      ILE  40   6.373   9.021   1.138
  417   3HD1  ILE  40          3HD1      ILE  40   5.489   7.676   0.410
  418    QG1  ILE  40           QG1      ILE  40   4.250   9.852   0.976
  419    QG2  ILE  40           QG2      ILE  40   4.066   7.978  -1.959
  420    QD1  ILE  40           QD1      ILE  40   6.006   8.551   0.311
  421    H    ASP  41           H        ASP  41   3.979  10.860  -3.994
  422    HA   ASP  41           HA       ASP  41   1.131  10.463  -4.866
  423   1HB   ASP  41          2HB       ASP  41   3.286  12.405  -5.621
  424   2HB   ASP  41          1HB       ASP  41   2.171  11.882  -6.883
  425    QB   ASP  41           QB       ASP  41   2.728  12.143  -6.252
  426    H    GLY  42           H        GLY  42   1.412   9.932  -7.479
  427   1HA   GLY  42          2HA       GLY  42   3.134   8.741  -8.947
  428   2HA   GLY  42          1HA       GLY  42   3.369   7.694  -7.555
  429    QA   GLY  42           QA       GLY  42   3.251   8.218  -8.251
  430    H    GLU  43           H        GLU  43   2.855   6.170  -9.452
  431    HA   GLU  43           HA       GLU  43  -0.033   5.867 -10.051
  432   1HB   GLU  43          2HB       GLU  43   2.523   4.419 -10.811
  433   2HB   GLU  43          1HB       GLU  43   0.931   3.974 -11.435
  434   1HG   GLU  43          2HG       GLU  43   1.692   6.845 -11.648
  435   2HG   GLU  43          1HG       GLU  43   2.537   5.719 -12.712
  436    QB   GLU  43           QB       GLU  43   1.727   4.197 -11.123
  437    QG   GLU  43           QG       GLU  43   2.115   6.282 -12.180
  438    H    TRP  44           H        TRP  44  -1.322   4.550  -8.790
  439    HA   TRP  44           HA       TRP  44  -0.047   2.733  -6.793
  440   1HB   TRP  44          2HB       TRP  44  -2.698   4.083  -7.206
  441   2HB   TRP  44          1HB       TRP  44  -2.634   2.624  -6.205
  442    HD1  TRP  44           HD       TRP  44  -1.431   6.242  -6.305
  443    HE1  TRP  44          1HE       TRP  44  -0.437   6.830  -3.996
  444    HE3  TRP  44          3HE       TRP  44  -1.529   1.639  -4.145
  445    HZ2  TRP  44          2HZ       TRP  44   0.233   5.493  -1.546
  446    HZ3  TRP  44          3HZ       TRP  44  -0.707   1.314  -1.824
  447    HH2  TRP  44           HH       TRP  44   0.181   3.232  -0.532
  448    QB   TRP  44           QB       TRP  44  -2.666   3.353  -6.706
  449    H    THR  45           H        THR  45   0.073   0.602  -7.175
  450    HA   THR  45           HA       THR  45  -1.937  -0.694  -8.964
  451    HB   THR  45           HB       THR  45  -0.239  -1.664 -10.326
  452    HG1  THR  45          1HG       THR  45   1.462  -2.278  -9.291
  453   1HG2  THR  45          3HG2      THR  45  -0.585   0.756 -10.764
  454   2HG2  THR  45          2HG2      THR  45   0.758   1.117  -9.676
  455   3HG2  THR  45          1HG2      THR  45   1.049   0.229 -11.176
  456    QG2  THR  45           QG2      THR  45   0.407   0.701 -10.539
  457    H    TYR  46           H        TYR  46  -2.553  -2.653  -8.160
  458    HA   TYR  46           HA       TYR  46  -1.201  -3.627  -5.691
  459   1HB   TYR  46          2HB       TYR  46  -3.570  -3.261  -5.521
  460   2HB   TYR  46          1HB       TYR  46  -3.878  -4.131  -7.027
  461    HD1  TYR  46          1HD       TYR  46  -1.938  -4.824  -3.887
  462    HD2  TYR  46          2HD       TYR  46  -4.878  -6.215  -6.689
  463    HE1  TYR  46          1HE       TYR  46  -2.136  -6.944  -2.625
  464    HE2  TYR  46          2HE       TYR  46  -5.075  -8.340  -5.423
  465    HH   TYR  46           HH       TYR  46  -3.570  -9.683  -3.843
  466    QB   TYR  46           QB       TYR  46  -3.724  -3.696  -6.274
  467    QG   TYR  46           QD       TYR  46  -3.408  -5.519  -5.288
  468    QZ   TYR  46           QE       TYR  46  -3.605  -7.642  -4.024
  469    QR   TYR  46           QR       TYR  46  -3.507  -6.581  -4.656
  470    H    ASP  47           H        ASP  47  -0.246  -5.672  -5.613
  471    HA   ASP  47           HA       ASP  47   0.005  -7.127  -8.219
  472   1HB   ASP  47          2HB       ASP  47   1.955  -6.056  -6.752
  473   2HB   ASP  47          1HB       ASP  47   1.799  -7.571  -5.859
  474    QB   ASP  47           QB       ASP  47   1.877  -6.814  -6.306
  475    H    ASP  48           H        ASP  48  -1.722  -8.586  -8.098
  476    HA   ASP  48           HA       ASP  48  -2.516  -9.970  -5.688
  477   1HB   ASP  48          2HB       ASP  48  -3.896 -11.272  -7.300
  478   2HB   ASP  48          1HB       ASP  48  -4.015  -9.535  -7.577
  479    QB   ASP  48           QB       ASP  48  -3.955 -10.403  -7.439
  480    H    ALA  49           H        ALA  49   0.243 -10.404  -7.580
  481    HA   ALA  49           HA       ALA  49   0.369 -13.343  -7.294
  482   1HB   ALA  49          1HB       ALA  49   1.109 -11.830  -9.294
  483   2HB   ALA  49          3HB       ALA  49   2.532 -11.500  -8.306
  484   3HB   ALA  49          2HB       ALA  49   2.171 -13.152  -8.808
  485    QB   ALA  49           QB       ALA  49   1.937 -12.161  -8.803
  486    H    THR  50           H        THR  50   1.612 -10.396  -5.826
  487    HA   THR  50           HA       THR  50   3.126 -12.075  -3.856
  488    HB   THR  50           HB       THR  50   4.771 -10.207  -3.824
  489    HG1  THR  50          1HG       THR  50   3.247  -9.224  -6.000
  490   1HG2  THR  50          3HG2      THR  50   4.732 -12.206  -5.532
  491   2HG2  THR  50          2HG2      THR  50   4.398 -10.937  -6.709
  492   3HG2  THR  50          1HG2      THR  50   5.880 -10.887  -5.755
  493    QG2  THR  50           QG2      THR  50   5.003 -11.343  -5.999
  494    H    LYS  51           H        LYS  51   0.419 -10.257  -4.190
  495    HA   LYS  51           HA       LYS  51  -0.913  -8.992  -2.710
  496   1HB   LYS  51          2HB       LYS  51   0.972 -10.293  -0.709
  497   2HB   LYS  51          1HB       LYS  51  -0.612  -9.615  -0.340
  498   1HG   LYS  51          2HG       LYS  51  -0.299 -11.781  -2.419
  499   2HG   LYS  51          1HG       LYS  51  -0.453 -12.178  -0.708
  500   1HD   LYS  51          2HD       LYS  51  -2.575 -10.937  -0.598
  501   2HD   LYS  51          1HD       LYS  51  -2.421 -10.513  -2.303
  502   1HE   LYS  51          2HE       LYS  51  -2.542 -12.872  -2.947
  503   2HE   LYS  51          1HE       LYS  51  -2.591 -13.356  -1.240
  504   1HZ   LYS  51          3HZ       LYS  51  -4.558 -11.873  -1.001
  505   2HZ   LYS  51          2HZ       LYS  51  -4.571 -11.685  -2.690
  506   3HZ   LYS  51          1HZ       LYS  51  -4.830 -13.216  -2.001
  507    QB   LYS  51           QB       LYS  51   0.180  -9.954  -0.525
  508    QG   LYS  51           QG       LYS  51  -0.376 -11.979  -1.564
  509    QD   LYS  51           QD       LYS  51  -2.498 -10.725  -1.450
  510    QE   LYS  51           QE       LYS  51  -2.566 -13.114  -2.094
  511    QZ   LYS  51           QZ       LYS  51  -4.653 -12.258  -1.897
  512    H    THR  52           H        THR  52   1.264  -7.593  -3.913
  513    HA   THR  52           HA       THR  52   1.980  -5.675  -1.708
  514    HB   THR  52           HB       THR  52   3.652  -6.568  -4.077
  515    HG1  THR  52          1HG       THR  52   3.523  -8.202  -2.583
  516   1HG2  THR  52          2HG2      THR  52   4.224  -4.755  -1.720
  517   2HG2  THR  52          1HG2      THR  52   5.469  -5.389  -2.797
  518   3HG2  THR  52          3HG2      THR  52   4.223  -4.312  -3.428
  519    QG2  THR  52           QG2      THR  52   4.639  -4.819  -2.648
  520    H    PHE  53           H        PHE  53   1.648  -3.511  -2.197
  521    HA   PHE  53           HA       PHE  53   0.401  -2.876  -4.814
  522   1HB   PHE  53          2HB       PHE  53   0.687  -1.451  -2.157
  523   2HB   PHE  53          1HB       PHE  53  -0.094  -0.715  -3.557
  524    HD1  PHE  53          1HD       PHE  53  -0.225  -3.643  -1.248
  525    HD2  PHE  53          2HD       PHE  53  -2.341  -1.268  -4.144
  526    HE1  PHE  53          1HE       PHE  53  -2.335  -4.831  -0.689
  527    HE2  PHE  53          2HE       PHE  53  -4.438  -2.455  -3.578
  528   1HZ   PHE  53           HZ       PHE  53  -4.436  -4.234  -1.856
  529    QB   PHE  53           QB       PHE  53   0.296  -1.083  -2.857
  530    QG   PHE  53           QD       PHE  53  -1.283  -2.455  -2.696
  531    QZ   PHE  53           QE       PHE  53  -3.387  -3.643  -2.134
  532    QZ   PHE  53           QR       PHE  53  -2.755  -3.286  -2.303
  533    H    THR  54           H        THR  54   1.146  -0.250  -5.334
  534    HA   THR  54           HA       THR  54   4.042   0.104  -4.966
  535    HB   THR  54           HB       THR  54   2.869  -0.449  -7.713
  536    HG1  THR  54          1HG       THR  54   3.245  -2.452  -7.296
  537   1HG2  THR  54          1HG2      THR  54   4.991   1.076  -7.226
  538   2HG2  THR  54          3HG2      THR  54   5.786  -0.490  -7.071
  539   3HG2  THR  54          2HG2      THR  54   4.975  -0.059  -8.577
  540    QG2  THR  54           QG2      THR  54   5.251   0.176  -7.625
  541    H    VAL  55           H        VAL  55   4.203   2.274  -4.739
  542    HA   VAL  55           HA       VAL  55   2.332   4.029  -6.295
  543    HB   VAL  55           HB       VAL  55   1.706   4.160  -4.006
  544   1HG1  VAL  55          1HG1      VAL  55   4.650   4.317  -3.298
  545   2HG1  VAL  55          3HG1      VAL  55   3.312   4.476  -2.151
  546   3HG1  VAL  55          2HG1      VAL  55   3.555   2.950  -3.013
  547   1HG2  VAL  55          1HG2      VAL  55   2.000   6.400  -4.968
  548   2HG2  VAL  55          3HG2      VAL  55   2.373   6.409  -3.237
  549   3HG2  VAL  55          2HG2      VAL  55   3.681   6.420  -4.432
  550    QG1  VAL  55           QG1      VAL  55   3.839   3.914  -2.821
  551    QG2  VAL  55           QG2      VAL  55   2.684   6.410  -4.212
  552    QQG  VAL  55           QQG      VAL  55   3.262   5.162  -3.516
  553    H    THR  56           H        THR  56   3.813   4.230  -8.029
  554    HA   THR  56           HA       THR  56   6.562   5.130  -7.516
  555    HB   THR  56           HB       THR  56   5.089   3.670  -9.473
  556    HG1  THR  56          1HG       THR  56   6.983   2.867  -9.218
  557   1HG2  THR  56          3HG2      THR  56   6.447   6.092 -10.686
  558   2HG2  THR  56          2HG2      THR  56   5.986   4.648 -11.589
  559   3HG2  THR  56          1HG2      THR  56   4.740   5.650 -10.831
  560    QG2  THR  56           QG2      THR  56   5.724   5.463 -11.035
  561    H    GLU  57           H        GLU  57   6.537   7.236  -6.732
  562    HA   GLU  57           HA       GLU  57   4.791   9.355  -7.486
  563   1HB   GLU  57          2HB       GLU  57   6.643   9.026  -5.617
  564   2HB   GLU  57          1HB       GLU  57   7.678   9.832  -6.797
  565   1HG   GLU  57          2HG       GLU  57   6.012  11.685  -6.938
  566   2HG   GLU  57          1HG       GLU  57   5.076  10.900  -5.664
  567    QB   GLU  57           QB       GLU  57   7.161   9.429  -6.207
  568    QG   GLU  57           QG       GLU  57   5.544  11.293  -6.301
   
  No H/Q in entry =         568
  Start of MODEL   37
    1   1H    MET   1          2HT       MET   1  -2.074 -15.884   5.408
    2   2H    MET   1          1HT       MET   1  -0.388 -15.687   5.484
    3   3H    MET   1          3HT       MET   1  -1.224 -16.354   6.801
    4    HA   MET   1           HA       MET   1  -2.226 -14.305   7.363
    5   1HB   MET   1          2HB       MET   1   0.685 -14.376   6.647
    6   2HB   MET   1          1HB       MET   1   0.005 -12.860   7.240
    7   1HG   MET   1          2HG       MET   1   0.545 -13.801   9.269
    8   2HG   MET   1          1HG       MET   1  -1.054 -14.514   9.069
    9   1HE   MET   1          1HE       MET   1   2.199 -14.960  10.122
   10   2HE   MET   1          3HE       MET   1   2.853 -16.521   9.608
   11   3HE   MET   1          2HE       MET   1   2.869 -15.149   8.503
   12    QB   MET   1           QB       MET   1   0.345 -13.618   6.944
   13    QG   MET   1           QG       MET   1  -0.254 -14.158   9.169
   14    QE   MET   1           QE       MET   1   2.640 -15.543   9.411
   15    H    THR   2           H        THR   2  -2.108 -11.831   6.805
   16    HA   THR   2           HA       THR   2  -2.437 -11.481   3.840
   17    HB   THR   2           HB       THR   2  -3.958 -10.167   6.116
   18    HG1  THR   2          1HG       THR   2  -4.973 -11.994   6.112
   19   1HG2  THR   2          3HG2      THR   2  -4.043  -9.980   3.122
   20   2HG2  THR   2          2HG2      THR   2  -5.534  -9.775   4.041
   21   3HG2  THR   2          1HG2      THR   2  -4.170  -8.695   4.323
   22    QG2  THR   2           QG2      THR   2  -4.582  -9.483   3.829
   23    H    THR   3           H        THR   3  -0.055 -10.945   5.613
   24    HA   THR   3           HA       THR   3   0.216  -8.149   6.166
   25    HB   THR   3           HB       THR   3   2.387 -10.081   5.305
   26    HG1  THR   3          1HG       THR   3   1.070  -9.778   7.796
   27   1HG2  THR   3          3HG2      THR   3   2.597  -7.457   5.945
   28   2HG2  THR   3          2HG2      THR   3   2.708  -8.172   7.553
   29   3HG2  THR   3          1HG2      THR   3   3.857  -8.639   6.300
   30    QG2  THR   3           QG2      THR   3   3.054  -8.089   6.599
   31    H    PHE   4           H        PHE   4  -0.701  -7.076   4.292
   32    HA   PHE   4           HA       PHE   4   0.339  -7.446   1.608
   33   1HB   PHE   4          2HB       PHE   4  -1.437  -5.546   3.093
   34   2HB   PHE   4          1HB       PHE   4  -0.847  -5.059   1.504
   35    HD1  PHE   4          1HD       PHE   4  -1.030  -6.912  -0.378
   36    HD2  PHE   4          2HD       PHE   4  -3.375  -6.844   3.220
   37    HE1  PHE   4          1HE       PHE   4  -2.727  -8.362  -1.453
   38    HE2  PHE   4          2HE       PHE   4  -5.070  -8.298   2.140
   39   1HZ   PHE   4           HZ       PHE   4  -4.743  -9.059  -0.195
   40    QB   PHE   4           QB       PHE   4  -1.142  -5.303   2.299
   41    QG   PHE   4           QD       PHE   4  -2.203  -6.878   1.421
   42    QZ   PHE   4           QE       PHE   4  -3.899  -8.330   0.344
   43    QZ   PHE   4           QR       PHE   4  -3.389  -7.895   0.667
   44    H    LYS   5           H        LYS   5   2.212  -6.610   0.786
   45    HA   LYS   5           HA       LYS   5   3.768  -4.667   2.414
   46   1HB   LYS   5          2HB       LYS   5   4.414  -6.272  -0.087
   47   2HB   LYS   5          1HB       LYS   5   5.576  -5.334   0.850
   48   1HG   LYS   5          2HG       LYS   5   5.933  -7.202   2.070
   49   2HG   LYS   5          1HG       LYS   5   4.332  -6.948   2.763
   50   1HD   LYS   5          2HD       LYS   5   3.311  -8.463   1.282
   51   2HD   LYS   5          1HD       LYS   5   4.644  -8.377   0.130
   52   1HE   LYS   5          2HE       LYS   5   5.897  -9.298   2.431
   53   2HE   LYS   5          1HE       LYS   5   4.328 -10.128   2.465
   54   1HZ   LYS   5          3HZ       LYS   5   4.669 -10.642   0.077
   55   2HZ   LYS   5          2HZ       LYS   5   6.247 -10.024   0.200
   56   3HZ   LYS   5          1HZ       LYS   5   5.798 -11.397   1.094
   57    QB   LYS   5           QB       LYS   5   4.995  -5.803   0.382
   58    QG   LYS   5           QG       LYS   5   5.132  -7.075   2.416
   59    QD   LYS   5           QD       LYS   5   3.978  -8.420   0.706
   60    QE   LYS   5           QE       LYS   5   5.112  -9.713   2.448
   61    QZ   LYS   5           QZ       LYS   5   5.571 -10.688   0.457
   62    H    LEU   6           H        LEU   6   4.947  -2.928   1.012
   63    HA   LEU   6           HA       LEU   6   3.372  -2.028  -1.342
   64   1HB   LEU   6          2HB       LEU   6   2.205  -1.137   0.634
   65   2HB   LEU   6          1HB       LEU   6   3.716  -0.458   1.239
   66    HG   LEU   6           HG       LEU   6   3.673   0.663  -1.229
   67   1HD1  LEU   6          2HD1      LEU   6   0.919  -0.223  -0.632
   68   2HD1  LEU   6          1HD1      LEU   6   1.066   1.467  -1.113
   69   3HD1  LEU   6          3HD1      LEU   6   1.661   0.192  -2.175
   70   1HD2  LEU   6          3HD2      LEU   6   3.502   1.537   1.359
   71   2HD2  LEU   6          2HD2      LEU   6   3.463   2.602  -0.046
   72   3HD2  LEU   6          1HD2      LEU   6   1.956   2.091   0.713
   73    QB   LEU   6           QB       LEU   6   2.961  -0.798   0.937
   74    QD1  LEU   6           QD1      LEU   6   1.215   0.478  -1.307
   75    QD2  LEU   6           QD2      LEU   6   2.974   2.077   0.675
   76    QQD  LEU   6           QQD      LEU   6   2.094   1.278  -0.316
   77    H    ILE   7           H        ILE   7   5.120  -1.910  -2.733
   78    HA   ILE   7           HA       ILE   7   7.697  -0.767  -1.813
   79    HB   ILE   7           HB       ILE   7   6.711  -1.941  -4.440
   80   1HG1  ILE   7          2HG1      ILE   7   8.599  -3.121  -2.384
   81   2HG1  ILE   7          1HG1      ILE   7   6.870  -3.470  -2.422
   82   1HG2  ILE   7          1HG2      ILE   7   8.614  -0.316  -4.679
   83   2HG2  ILE   7          3HG2      ILE   7   9.555  -1.326  -3.578
   84   3HG2  ILE   7          2HG2      ILE   7   9.038  -1.967  -5.139
   85   1HD1  ILE   7          1HD1      ILE   7   8.398  -3.782  -4.968
   86   2HD1  ILE   7          3HD1      ILE   7   8.632  -5.004  -3.719
   87   3HD1  ILE   7          2HD1      ILE   7   7.019  -4.702  -4.365
   88    QG1  ILE   7           QG1      ILE   7   7.734  -3.295  -2.403
   89    QG2  ILE   7           QG2      ILE   7   9.069  -1.203  -4.465
   90    QD1  ILE   7           QD1      ILE   7   8.016  -4.496  -4.351
   91    H    ILE   8           H        ILE   8   8.008   1.439  -2.006
   92    HA   ILE   8           HA       ILE   8   6.146   2.923  -3.757
   93    HB   ILE   8           HB       ILE   8   8.191   3.909  -1.740
   94   1HG1  ILE   8          2HG1      ILE   8   6.095   4.519  -0.444
   95   2HG1  ILE   8          1HG1      ILE   8   5.179   3.571  -1.604
   96   1HG2  ILE   8          3HG2      ILE   8   7.577   5.495  -3.618
   97   2HG2  ILE   8          2HG2      ILE   8   5.898   5.389  -3.066
   98   3HG2  ILE   8          1HG2      ILE   8   7.139   6.076  -2.009
   99   1HD1  ILE   8          3HD1      ILE   8   7.512   2.301  -0.258
  100   2HD1  ILE   8          2HD1      ILE   8   6.006   2.482   0.644
  101   3HD1  ILE   8          1HD1      ILE   8   6.028   1.577  -0.872
  102    QG1  ILE   8           QG1      ILE   8   5.637   4.045  -1.024
  103    QG2  ILE   8           QG2      ILE   8   6.872   5.653  -2.898
  104    QD1  ILE   8           QD1      ILE   8   6.515   2.120  -0.162
  105    H    ASN   9           H        ASN   9   6.846   3.545  -5.801
  106    HA   ASN   9           HA       ASN   9   9.630   3.105  -6.575
  107   1HB   ASN   9          2HB       ASN   9   7.590   4.549  -8.258
  108   2HB   ASN   9          1HB       ASN   9   8.870   3.468  -8.785
  109   1HD2  ASN   9          2HD2      ASN   9   5.332   1.864  -8.623
  110   2HD2  ASN   9          1HD2      ASN   9   5.740   3.458  -9.052
  111    QB   ASN   9           QB       ASN   9   8.230   4.008  -8.522
  112    QD2  ASN   9           QD2      ASN   9   5.536   2.661  -8.838
  113    H    GLY  10           H        GLY  10   7.620   5.824  -5.766
  114   1HA   GLY  10          2HA       GLY  10   9.257   7.923  -6.803
  115   2HA   GLY  10          1HA       GLY  10   8.101   8.104  -5.482
  116    QA   GLY  10           QA       GLY  10   8.679   8.013  -6.142
  117    H    LYS  11           H        LYS  11  10.851   9.201  -5.750
  118    HA   LYS  11           HA       LYS  11  12.747   7.840  -4.124
  119   1HB   LYS  11          2HB       LYS  11  13.713  10.128  -3.871
  120   2HB   LYS  11          1HB       LYS  11  13.259   9.773  -5.537
  121   1HG   LYS  11          2HG       LYS  11  11.560  11.308  -5.545
  122   2HG   LYS  11          1HG       LYS  11  11.154  11.024  -3.853
  123   1HD   LYS  11          2HD       LYS  11  12.608  12.615  -3.097
  124   2HD   LYS  11          1HD       LYS  11  13.811  12.249  -4.333
  125   1HE   LYS  11          2HE       LYS  11  12.067  13.317  -5.984
  126   2HE   LYS  11          1HE       LYS  11  11.419  14.069  -4.511
  127   1HZ   LYS  11          1HZ       LYS  11  14.302  14.079  -5.217
  128   2HZ   LYS  11          3HZ       LYS  11  13.250  15.348  -5.614
  129   3HZ   LYS  11          2HZ       LYS  11  13.535  14.963  -3.984
  130    QB   LYS  11           QB       LYS  11  13.486   9.950  -4.704
  131    QG   LYS  11           QG       LYS  11  11.357  11.166  -4.699
  132    QD   LYS  11           QD       LYS  11  13.209  12.432  -3.715
  133    QE   LYS  11           QE       LYS  11  11.743  13.693  -5.248
  134    QZ   LYS  11           QZ       LYS  11  13.696  14.797  -4.938
  135    H    THR  12           H        THR  12   9.814   9.496  -3.242
  136    HA   THR  12           HA       THR  12  10.447  10.211  -0.534
  137    HB   THR  12           HB       THR  12   7.867  10.025  -0.374
  138    HG1  THR  12          1HG       THR  12   6.966   9.910  -2.542
  139   1HG2  THR  12          1HG2      THR  12   9.483  11.998  -1.237
  140   2HG2  THR  12          3HG2      THR  12   8.566  11.719  -2.717
  141   3HG2  THR  12          2HG2      THR  12   7.726  12.149  -1.226
  142    QG2  THR  12           QG2      THR  12   8.592  11.955  -1.726
  143    H    LEU  13           H        LEU  13  11.051   8.818   1.010
  144    HA   LEU  13           HA       LEU  13  11.111   6.996   2.428
  145   1HB   LEU  13          2HB       LEU  13   9.031   6.481   3.143
  146   2HB   LEU  13          1HB       LEU  13   8.489   7.603   1.911
  147    HG   LEU  13           HG       LEU  13   8.357   5.585   0.344
  148   1HD1  LEU  13          2HD1      LEU  13   9.140   4.310   2.906
  149   2HD1  LEU  13          1HD1      LEU  13   7.848   3.511   2.008
  150   3HD1  LEU  13          3HD1      LEU  13   9.422   3.767   1.252
  151   1HD2  LEU  13          3HD2      LEU  13   6.624   5.962   2.776
  152   2HD2  LEU  13          2HD2      LEU  13   6.332   6.525   1.131
  153   3HD2  LEU  13          1HD2      LEU  13   6.204   4.805   1.513
  154    QB   LEU  13           QB       LEU  13   8.760   7.042   2.527
  155    QD1  LEU  13           QD1      LEU  13   8.803   3.862   2.055
  156    QD2  LEU  13           QD2      LEU  13   6.386   5.764   1.807
  157    QQD  LEU  13           QQD      LEU  13   7.595   4.813   1.931
  158    H    LYS  14           H        LYS  14   9.830   5.808  -0.758
  159    HA   LYS  14           HA       LYS  14  10.423   3.865  -1.969
  160   1HB   LYS  14          2HB       LYS  14  12.803   5.404  -1.110
  161   2HB   LYS  14          1HB       LYS  14  13.130   3.797  -1.758
  162   1HG   LYS  14          2HG       LYS  14  11.263   4.769  -3.542
  163   2HG   LYS  14          1HG       LYS  14  12.182   6.218  -3.136
  164   1HD   LYS  14          2HD       LYS  14  13.527   3.622  -3.902
  165   2HD   LYS  14          1HD       LYS  14  13.074   4.836  -5.098
  166   1HE   LYS  14          2HE       LYS  14  14.449   6.523  -3.918
  167   2HE   LYS  14          1HE       LYS  14  14.916   5.295  -2.723
  168   1HZ   LYS  14          2HZ       LYS  14  15.674   3.901  -4.610
  169   2HZ   LYS  14          1HZ       LYS  14  15.403   5.215  -5.652
  170   3HZ   LYS  14          3HZ       LYS  14  16.574   5.332  -4.430
  171    QB   LYS  14           QB       LYS  14  12.967   4.600  -1.434
  172    QG   LYS  14           QG       LYS  14  11.722   5.494  -3.339
  173    QD   LYS  14           QD       LYS  14  13.301   4.229  -4.500
  174    QE   LYS  14           QE       LYS  14  14.682   5.909  -3.321
  175    QZ   LYS  14           QZ       LYS  14  15.884   4.816  -4.898
  176    H    GLY  15           H        GLY  15   9.572   2.066  -0.745
  177   1HA   GLY  15          2HA       GLY  15  11.305   0.065   0.080
  178   2HA   GLY  15          1HA       GLY  15  11.027   1.000   1.548
  179    QA   GLY  15           QA       GLY  15  11.166   0.532   0.814
  180    H    GLU  16           H        GLU  16  10.103  -1.136   2.237
  181    HA   GLU  16           HA       GLU  16   7.210  -1.372   1.457
  182   1HB   GLU  16          2HB       GLU  16   9.307  -3.463   2.108
  183   2HB   GLU  16          1HB       GLU  16   7.589  -3.825   1.933
  184   1HG   GLU  16          2HG       GLU  16   7.596  -3.439  -0.349
  185   2HG   GLU  16          1HG       GLU  16   8.943  -2.303  -0.257
  186    QB   GLU  16           QB       GLU  16   8.448  -3.644   2.021
  187    QG   GLU  16           QG       GLU  16   8.270  -2.871  -0.303
  188    H    ILE  17           H        ILE  17   5.794  -1.944   3.232
  189    HA   ILE  17           HA       ILE  17   7.010  -1.545   5.949
  190    HB   ILE  17           HB       ILE  17   4.279  -0.760   4.883
  191   1HG1  ILE  17          2HG1      ILE  17   5.471   1.566   5.546
  192   2HG1  ILE  17          1HG1      ILE  17   6.903   0.637   5.105
  193   1HG2  ILE  17          1HG2      ILE  17   5.635  -0.317   7.556
  194   2HG2  ILE  17          3HG2      ILE  17   4.179   0.536   7.044
  195   3HG2  ILE  17          2HG2      ILE  17   4.147  -1.215   7.255
  196   1HD1  ILE  17          2HD1      ILE  17   5.237  -0.014   3.049
  197   2HD1  ILE  17          1HD1      ILE  17   4.698   1.630   3.398
  198   3HD1  ILE  17          3HD1      ILE  17   6.386   1.322   2.991
  199    QG1  ILE  17           QG1      ILE  17   6.187   1.101   5.325
  200    QG2  ILE  17           QG2      ILE  17   4.654  -0.332   7.285
  201    QD1  ILE  17           QD1      ILE  17   5.440   0.979   3.146
  202    H    THR  18           H        THR  18   5.144  -3.666   3.953
  203    HA   THR  18           HA       THR  18   3.870  -5.600   4.396
  204    HB   THR  18           HB       THR  18   5.061  -7.044   6.083
  205    HG1  THR  18          1HG       THR  18   5.687  -5.378   7.491
  206   1HG2  THR  18          1HG2      THR  18   6.307  -5.655   3.781
  207   2HG2  THR  18          3HG2      THR  18   7.410  -6.523   4.847
  208   3HG2  THR  18          2HG2      THR  18   6.078  -7.380   4.071
  209    QG2  THR  18           QG2      THR  18   6.598  -6.519   4.233
  210    H    ILE  19           H        ILE  19   1.828  -4.860   5.097
  211    HA   ILE  19           HA       ILE  19   1.442  -4.795   8.074
  212    HB   ILE  19           HB       ILE  19  -0.224  -3.017   7.695
  213   1HG1  ILE  19          2HG1      ILE  19   0.192  -2.066   5.138
  214   2HG1  ILE  19          1HG1      ILE  19   0.204  -3.809   4.881
  215   1HG2  ILE  19          1HG2      ILE  19   2.381  -2.649   7.827
  216   2HG2  ILE  19          3HG2      ILE  19   2.189  -2.123   6.155
  217   3HG2  ILE  19          2HG2      ILE  19   1.317  -1.295   7.445
  218   1HD1  ILE  19          1HD1      ILE  19  -1.930  -3.631   6.520
  219   2HD1  ILE  19          3HD1      ILE  19  -2.020  -2.041   5.760
  220   3HD1  ILE  19          2HD1      ILE  19  -2.064  -3.498   4.766
  221    QG1  ILE  19           QG1      ILE  19   0.198  -2.938   5.009
  222    QG2  ILE  19           QG2      ILE  19   1.962  -2.022   7.143
  223    QD1  ILE  19           QD1      ILE  19  -2.005  -3.057   5.682
  224    H    GLU  20           H        GLU  20  -0.257  -6.027   8.833
  225    HA   GLU  20           HA       GLU  20  -1.601  -7.854   6.970
  226   1HB   GLU  20          2HB       GLU  20  -0.693  -8.420   9.258
  227   2HB   GLU  20          1HB       GLU  20  -1.975  -7.426   9.951
  228   1HG   GLU  20          2HG       GLU  20  -3.640  -8.855   8.695
  229   2HG   GLU  20          1HG       GLU  20  -2.302  -9.924   8.270
  230    QB   GLU  20           QB       GLU  20  -1.334  -7.923   9.605
  231    QG   GLU  20           QG       GLU  20  -2.971  -9.389   8.482
  232    H    ALA  21           H        ALA  21  -3.864  -7.878   6.560
  233    HA   ALA  21           HA       ALA  21  -5.628  -5.858   7.775
  234   1HB   ALA  21          3HB       ALA  21  -4.373  -5.644   5.071
  235   2HB   ALA  21          2HB       ALA  21  -6.051  -5.127   5.234
  236   3HB   ALA  21          1HB       ALA  21  -4.796  -4.367   6.211
  237    QB   ALA  21           QB       ALA  21  -5.073  -5.046   5.505
  238    H    VAL  22           H        VAL  22  -7.875  -6.085   6.872
  239    HA   VAL  22           HA       VAL  22  -8.802  -8.735   6.800
  240    HB   VAL  22           HB       VAL  22 -10.152  -6.735   7.296
  241   1HG1  VAL  22          3HG1      VAL  22  -8.997  -5.433   5.361
  242   2HG1  VAL  22          2HG1      VAL  22 -10.249  -6.142   4.342
  243   3HG1  VAL  22          1HG1      VAL  22 -10.697  -5.100   5.692
  244   1HG2  VAL  22          1HG2      VAL  22 -11.076  -8.956   6.178
  245   2HG2  VAL  22          3HG2      VAL  22 -12.138  -7.570   6.426
  246   3HG2  VAL  22          2HG2      VAL  22 -11.437  -7.869   4.836
  247    QG1  VAL  22           QG1      VAL  22  -9.981  -5.558   5.132
  248    QG2  VAL  22           QG2      VAL  22 -11.550  -8.132   5.813
  249    QQG  VAL  22           QQG      VAL  22 -10.766  -6.845   5.473
  250    H    ASP  23           H        ASP  23  -7.967  -6.578   4.099
  251    HA   ASP  23           HA       ASP  23  -7.504  -8.867   2.318
  252   1HB   ASP  23          2HB       ASP  23  -9.964  -7.175   2.284
  253   2HB   ASP  23          1HB       ASP  23  -9.268  -7.606   0.722
  254    QB   ASP  23           QB       ASP  23  -9.616  -7.391   1.503
  255    H    ALA  24           H        ALA  24  -6.965  -7.905   0.016
  256    HA   ALA  24           HA       ALA  24  -4.868  -5.981   0.282
  257   1HB   ALA  24          1HB       ALA  24  -5.633  -7.779  -1.577
  258   2HB   ALA  24          3HB       ALA  24  -6.271  -6.317  -2.331
  259   3HB   ALA  24          2HB       ALA  24  -4.551  -6.439  -1.957
  260    QB   ALA  24           QB       ALA  24  -5.485  -6.845  -1.955
  261    H    ALA  25           H        ALA  25  -8.299  -5.647  -0.498
  262    HA   ALA  25           HA       ALA  25  -8.365  -3.012  -1.511
  263   1HB   ALA  25          1HB       ALA  25 -10.188  -4.907  -0.135
  264   2HB   ALA  25          3HB       ALA  25 -10.677  -3.213  -0.090
  265   3HB   ALA  25          2HB       ALA  25 -10.425  -4.018  -1.639
  266    QB   ALA  25           QB       ALA  25 -10.430  -4.046  -0.621
  267    H    GLU  26           H        GLU  26  -8.388  -4.191   1.842
  268    HA   GLU  26           HA       GLU  26  -8.592  -1.552   3.054
  269   1HB   GLU  26          2HB       GLU  26  -9.144  -3.973   3.927
  270   2HB   GLU  26          1HB       GLU  26  -7.438  -4.004   4.370
  271   1HG   GLU  26          2HG       GLU  26  -8.666  -3.196   6.284
  272   2HG   GLU  26          1HG       GLU  26  -7.803  -1.823   5.591
  273    QB   GLU  26           QB       GLU  26  -8.291  -3.989   4.148
  274    QG   GLU  26           QG       GLU  26  -8.235  -2.509   5.937
  275    H    ALA  27           H        ALA  27  -5.933  -3.859   2.450
  276    HA   ALA  27           HA       ALA  27  -3.792  -2.416   3.638
  277   1HB   ALA  27          3HB       ALA  27  -4.182  -4.480   1.539
  278   2HB   ALA  27          2HB       ALA  27  -2.647  -3.610   1.466
  279   3HB   ALA  27          1HB       ALA  27  -3.100  -4.486   2.932
  280    QB   ALA  27           QB       ALA  27  -3.310  -4.192   1.979
  281    H    GLU  28           H        GLU  28  -5.080  -2.259   0.300
  282    HA   GLU  28           HA       GLU  28  -3.301  -0.280  -0.722
  283   1HB   GLU  28          2HB       GLU  28  -5.121  -1.778  -1.846
  284   2HB   GLU  28          1HB       GLU  28  -6.227  -0.467  -1.442
  285   1HG   GLU  28          2HG       GLU  28  -4.306   1.018  -2.541
  286   2HG   GLU  28          1HG       GLU  28  -3.944  -0.488  -3.383
  287    QB   GLU  28           QB       GLU  28  -5.674  -1.122  -1.644
  288    QG   GLU  28           QG       GLU  28  -4.125   0.265  -2.962
  289    H    LYS  29           H        LYS  29  -6.331   0.005   1.133
  290    HA   LYS  29           HA       LYS  29  -6.534   2.892   0.973
  291   1HB   LYS  29          2HB       LYS  29  -7.549   0.841   2.975
  292   2HB   LYS  29          1HB       LYS  29  -8.098   2.514   2.899
  293   1HG   LYS  29          2HG       LYS  29  -8.181   1.006   0.342
  294   2HG   LYS  29          1HG       LYS  29  -9.329   0.493   1.578
  295   1HD   LYS  29          2HD       LYS  29 -10.615   2.175   0.732
  296   2HD   LYS  29          1HD       LYS  29  -9.599   3.202   1.744
  297   1HE   LYS  29          2HE       LYS  29  -7.997   3.212  -0.349
  298   2HE   LYS  29          1HE       LYS  29  -9.471   2.763  -1.229
  299   1HZ   LYS  29          1HZ       LYS  29 -10.607   4.611  -0.055
  300   2HZ   LYS  29          3HZ       LYS  29  -9.107   5.099   0.569
  301   3HZ   LYS  29          2HZ       LYS  29  -9.380   5.137  -1.108
  302    QB   LYS  29           QB       LYS  29  -7.823   1.677   2.937
  303    QG   LYS  29           QG       LYS  29  -8.755   0.750   0.960
  304    QD   LYS  29           QD       LYS  29 -10.107   2.688   1.238
  305    QE   LYS  29           QE       LYS  29  -8.734   2.988  -0.789
  306    QZ   LYS  29           QZ       LYS  29  -9.698   4.949  -0.198
  307    H    ILE  30           H        ILE  30  -5.372   0.690   3.547
  308    HA   ILE  30           HA       ILE  30  -4.387   2.636   5.373
  309    HB   ILE  30           HB       ILE  30  -3.380  -0.155   4.689
  310   1HG1  ILE  30          2HG1      ILE  30  -5.136   0.508   7.028
  311   2HG1  ILE  30          1HG1      ILE  30  -5.873   0.359   5.433
  312   1HG2  ILE  30          2HG2      ILE  30  -1.780   1.182   6.057
  313   2HG2  ILE  30          1HG2      ILE  30  -3.058   1.457   7.241
  314   3HG2  ILE  30          3HG2      ILE  30  -2.457  -0.176   6.958
  315   1HD1  ILE  30          3HD1      ILE  30  -3.956  -1.786   6.148
  316   2HD1  ILE  30          2HD1      ILE  30  -5.447  -1.755   7.091
  317   3HD1  ILE  30          1HD1      ILE  30  -5.519  -1.894   5.334
  318    QG1  ILE  30           QG1      ILE  30  -5.505   0.434   6.231
  319    QG2  ILE  30           QG2      ILE  30  -2.432   0.821   6.752
  320    QD1  ILE  30           QD1      ILE  30  -4.974  -1.812   6.191
  321    H    PHE  31           H        PHE  31  -2.877   1.071   2.574
  322    HA   PHE  31           HA       PHE  31  -0.289   2.363   2.871
  323   1HB   PHE  31          2HB       PHE  31  -1.772   0.740   0.819
  324   2HB   PHE  31          1HB       PHE  31  -0.288   1.562   0.341
  325    HD1  PHE  31          1HD       PHE  31   1.503   1.400   2.526
  326    HD2  PHE  31          2HD       PHE  31  -1.385  -1.510   1.249
  327    HE1  PHE  31          1HE       PHE  31   2.846  -0.393   3.583
  328    HE2  PHE  31          2HE       PHE  31  -0.041  -3.307   2.309
  329   1HZ   PHE  31           HZ       PHE  31   2.076  -2.747   3.478
  330    QB   PHE  31           QB       PHE  31  -1.030   1.151   0.580
  331    QG   PHE  31           QD       PHE  31   0.059  -0.055   1.887
  332    QZ   PHE  31           QE       PHE  31   1.403  -1.850   2.946
  333    QZ   PHE  31           QR       PHE  31   1.000  -1.312   2.629
  334    H    LYS  32           H        LYS  32  -3.279   3.035   1.097
  335    HA   LYS  32           HA       LYS  32  -2.225   5.285  -0.375
  336   1HB   LYS  32          2HB       LYS  32  -4.909   4.055   0.121
  337   2HB   LYS  32          1HB       LYS  32  -4.790   5.615  -0.689
  338   1HG   LYS  32          2HG       LYS  32  -3.363   4.693  -2.411
  339   2HG   LYS  32          1HG       LYS  32  -3.271   3.144  -1.572
  340   1HD   LYS  32          2HD       LYS  32  -5.466   2.571  -2.119
  341   2HD   LYS  32          1HD       LYS  32  -5.962   4.252  -2.317
  342   1HE   LYS  32          2HE       LYS  32  -3.864   3.198  -4.176
  343   2HE   LYS  32          1HE       LYS  32  -5.550   2.715  -4.453
  344   1HZ   LYS  32          1HZ       LYS  32  -4.687   5.518  -3.983
  345   2HZ   LYS  32          3HZ       LYS  32  -4.929   4.860  -5.526
  346   3HZ   LYS  32          2HZ       LYS  32  -6.232   4.984  -4.444
  347    QB   LYS  32           QB       LYS  32  -4.850   4.835  -0.284
  348    QG   LYS  32           QG       LYS  32  -3.317   3.918  -1.991
  349    QD   LYS  32           QD       LYS  32  -5.714   3.411  -2.218
  350    QE   LYS  32           QE       LYS  32  -4.707   2.957  -4.315
  351    QZ   LYS  32           QZ       LYS  32  -5.283   5.120  -4.651
  352    H    GLN  33           H        GLN  33  -2.824   4.991   2.892
  353    HA   GLN  33           HA       GLN  33  -3.723   7.861   3.153
  354   1HB   GLN  33          2HB       GLN  33  -5.058   5.977   4.236
  355   2HB   GLN  33          1HB       GLN  33  -3.635   5.623   5.216
  356   1HG   GLN  33          2HG       GLN  33  -3.711   7.792   6.253
  357   2HG   GLN  33          1HG       GLN  33  -4.947   8.351   5.125
  358   1HE2  GLN  33          2HE2      GLN  33  -6.230   6.798   8.502
  359   2HE2  GLN  33          1HE2      GLN  33  -4.743   7.580   8.258
  360    QB   GLN  33           QB       GLN  33  -4.347   5.800   4.726
  361    QG   GLN  33           QG       GLN  33  -4.329   8.071   5.689
  362    QE2  GLN  33           QE2      GLN  33  -5.486   7.189   8.380
  363    H    TYR  34           H        TYR  34  -1.605   5.333   4.274
  364    HA   TYR  34           HA       TYR  34   0.310   6.704   5.837
  365   1HB   TYR  34          2HB       TYR  34   0.197   4.341   5.786
  366   2HB   TYR  34          1HB       TYR  34   0.093   4.301   4.022
  367    HD1  TYR  34          1HD       TYR  34   2.151   4.470   2.662
  368    HD2  TYR  34          2HD       TYR  34   2.336   4.582   6.953
  369    HE1  TYR  34          1HE       TYR  34   4.600   4.097   2.566
  370    HE2  TYR  34          2HE       TYR  34   4.786   4.211   6.856
  371    HH   TYR  34           HH       TYR  34   6.624   4.472   5.323
  372    QB   TYR  34           QB       TYR  34   0.145   4.321   4.904
  373    QG   TYR  34           QD       TYR  34   2.243   4.526   4.807
  374    QZ   TYR  34           QE       TYR  34   4.693   4.154   4.711
  375    QR   TYR  34           QR       TYR  34   3.468   4.340   4.759
  376    H    ALA  35           H        ALA  35   0.109   6.120   2.330
  377    HA   ALA  35           HA       ALA  35   2.584   7.268   1.473
  378   1HB   ALA  35          2HB       ALA  35  -0.121   6.679   0.331
  379   2HB   ALA  35          1HB       ALA  35   0.956   7.709  -0.611
  380   3HB   ALA  35          3HB       ALA  35   1.459   6.077  -0.169
  381    QB   ALA  35           QB       ALA  35   0.765   6.822  -0.150
  382    H    ASN  36           H        ASN  36  -0.676   8.754   1.653
  383    HA   ASN  36           HA       ASN  36   0.064  11.392   0.864
  384   1HB   ASN  36          2HB       ASN  36  -2.137  10.102   2.431
  385   2HB   ASN  36          1HB       ASN  36  -2.048  11.861   2.380
  386   1HD2  ASN  36          2HD2      ASN  36  -2.654   9.895  -1.190
  387   2HD2  ASN  36          1HD2      ASN  36  -1.747   9.131   0.023
  388    QB   ASN  36           QB       ASN  36  -2.093  10.982   2.406
  389    QD2  ASN  36           QD2      ASN  36  -2.200   9.513  -0.583
  390    H    ASP  37           H        ASP  37  -0.238   9.967   4.123
  391    HA   ASP  37           HA       ASP  37   0.377  12.226   5.685
  392   1HB   ASP  37          2HB       ASP  37  -0.303   9.749   6.232
  393   2HB   ASP  37          1HB       ASP  37   1.439   9.500   6.353
  394    QB   ASP  37           QB       ASP  37   0.568   9.625   6.292
  395    H    ASN  38           H        ASN  38   2.495  10.326   3.704
  396    HA   ASN  38           HA       ASN  38   4.877  11.627   4.871
  397   1HB   ASN  38          2HB       ASN  38   4.484   9.060   4.511
  398   2HB   ASN  38          1HB       ASN  38   4.914   9.423   2.841
  399   1HD2  ASN  38          2HD2      ASN  38   8.305  10.379   3.709
  400   2HD2  ASN  38          1HD2      ASN  38   7.044  10.812   2.657
  401    QB   ASN  38           QB       ASN  38   4.699   9.241   3.676
  402    QD2  ASN  38           QD2      ASN  38   7.675  10.596   3.183
  403    H    GLY  39           H        GLY  39   3.107  11.161   1.842
  404   1HA   GLY  39          2HA       GLY  39   3.149  13.221   0.349
  405   2HA   GLY  39          1HA       GLY  39   4.898  13.189   0.558
  406    QA   GLY  39           QA       GLY  39   4.023  13.205   0.454
  407    H    ILE  40           H        ILE  40   2.797  10.376   0.063
  408    HA   ILE  40           HA       ILE  40   4.321   9.772  -2.439
  409    HB   ILE  40           HB       ILE  40   3.135   8.246  -0.163
  410   1HG1  ILE  40          2HG1      ILE  40   5.259   6.942  -0.513
  411   2HG1  ILE  40          1HG1      ILE  40   5.663   8.096  -1.790
  412   1HG2  ILE  40          1HG2      ILE  40   2.053   7.251  -2.211
  413   2HG2  ILE  40          3HG2      ILE  40   3.673   6.878  -2.801
  414   3HG2  ILE  40          2HG2      ILE  40   3.081   6.144  -1.308
  415   1HD1  ILE  40          3HD1      ILE  40   4.817   9.106   0.894
  416   2HD1  ILE  40          2HD1      ILE  40   6.479   8.544   0.667
  417   3HD1  ILE  40          1HD1      ILE  40   5.849   9.875  -0.317
  418    QG1  ILE  40           QG1      ILE  40   5.461   7.519  -1.152
  419    QG2  ILE  40           QG2      ILE  40   2.936   6.758  -2.107
  420    QD1  ILE  40           QD1      ILE  40   5.715   9.175   0.415
  421    H    ASP  41           H        ASP  41   3.142  10.558  -4.117
  422    HA   ASP  41           HA       ASP  41   0.386   9.554  -4.534
  423   1HB   ASP  41          2HB       ASP  41   0.484  11.729  -3.088
  424   2HB   ASP  41          1HB       ASP  41   0.849  12.528  -4.618
  425    QB   ASP  41           QB       ASP  41   0.666  12.129  -3.853
  426    H    GLY  42           H        GLY  42   0.878   8.676  -6.549
  427   1HA   GLY  42          2HA       GLY  42   1.110  10.435  -8.816
  428   2HA   GLY  42          1HA       GLY  42   2.649   9.637  -8.495
  429    QA   GLY  42           QA       GLY  42   1.879  10.036  -8.656
  430    H    GLU  43           H        GLU  43   1.927   7.106  -7.752
  431    HA   GLU  43           HA       GLU  43   0.160   6.066  -9.941
  432   1HB   GLU  43          2HB       GLU  43   2.644   6.117 -10.502
  433   2HB   GLU  43          1HB       GLU  43   2.884   4.951  -9.198
  434   1HG   GLU  43          2HG       GLU  43   1.790   3.253 -10.331
  435   2HG   GLU  43          1HG       GLU  43   0.783   4.371 -11.252
  436    QB   GLU  43           QB       GLU  43   2.764   5.534  -9.850
  437    QG   GLU  43           QG       GLU  43   1.286   3.812 -10.792
  438    H    TRP  44           H        TRP  44  -0.364   3.696  -9.556
  439    HA   TRP  44           HA       TRP  44   0.016   2.577  -6.848
  440   1HB   TRP  44          2HB       TRP  44  -2.513   3.926  -7.786
  441   2HB   TRP  44          1HB       TRP  44  -2.638   2.491  -6.758
  442    HD1  TRP  44           HD       TRP  44  -1.850   6.162  -6.619
  443    HE1  TRP  44          1HE       TRP  44  -1.244   6.791  -4.189
  444    HE3  TRP  44          3HE       TRP  44  -1.518   1.508  -4.604
  445    HZ2  TRP  44          2HZ       TRP  44  -0.692   5.471  -1.706
  446    HZ3  TRP  44          3HZ       TRP  44  -0.959   1.213  -2.196
  447    HH2  TRP  44           HH       TRP  44  -0.541   3.186  -0.760
  448    QB   TRP  44           QB       TRP  44  -2.576   3.209  -7.272
  449    H    THR  45           H        THR  45   0.207   0.415  -7.226
  450    HA   THR  45           HA       THR  45  -1.647  -0.908  -9.143
  451    HB   THR  45           HB       THR  45   0.117  -1.889 -10.416
  452    HG1  THR  45          1HG       THR  45   1.894  -2.347  -9.449
  453   1HG2  THR  45          1HG2      THR  45  -0.295   0.490 -10.964
  454   2HG2  THR  45          3HG2      THR  45   0.980   0.953  -9.835
  455   3HG2  THR  45          2HG2      THR  45   1.377   0.023 -11.283
  456    QG2  THR  45           QG2      THR  45   0.687   0.488 -10.694
  457    H    TYR  46           H        TYR  46  -2.305  -2.834  -8.300
  458    HA   TYR  46           HA       TYR  46  -0.975  -3.803  -5.821
  459   1HB   TYR  46          2HB       TYR  46  -3.344  -3.458  -5.659
  460   2HB   TYR  46          1HB       TYR  46  -3.641  -4.329  -7.165
  461    HD1  TYR  46          1HD       TYR  46  -1.708  -5.010  -4.010
  462    HD2  TYR  46          2HD       TYR  46  -4.611  -6.428  -6.842
  463    HE1  TYR  46          1HE       TYR  46  -1.868  -7.154  -2.773
  464    HE2  TYR  46          2HE       TYR  46  -4.773  -8.568  -5.597
  465    HH   TYR  46           HH       TYR  46  -3.295  -9.902  -4.042
  466    QB   TYR  46           QB       TYR  46  -3.493  -3.893  -6.412
  467    QG   TYR  46           QD       TYR  46  -3.159  -5.719  -5.426
  468    QZ   TYR  46           QE       TYR  46  -3.320  -7.861  -4.185
  469    QR   TYR  46           QR       TYR  46  -3.240  -6.790  -4.806
  470    H    ASP  47           H        ASP  47   0.209  -5.666  -5.807
  471    HA   ASP  47           HA       ASP  47   0.395  -7.247  -8.335
  472   1HB   ASP  47          2HB       ASP  47   2.151  -6.961  -5.874
  473   2HB   ASP  47          1HB       ASP  47   2.516  -8.045  -7.217
  474    QB   ASP  47           QB       ASP  47   2.334  -7.503  -6.545
  475    H    ASP  48           H        ASP  48  -1.303  -8.732  -8.150
  476    HA   ASP  48           HA       ASP  48  -2.085 -10.019  -5.685
  477   1HB   ASP  48          2HB       ASP  48  -3.519  -9.628  -7.681
  478   2HB   ASP  48          1HB       ASP  48  -2.558 -10.809  -8.574
  479    QB   ASP  48           QB       ASP  48  -3.038 -10.218  -8.128
  480    H    ALA  49           H        ALA  49   0.695 -10.527  -7.511
  481    HA   ALA  49           HA       ALA  49   0.808 -13.454  -7.212
  482   1HB   ALA  49          1HB       ALA  49   2.270 -11.265  -8.558
  483   2HB   ALA  49          3HB       ALA  49   3.301 -12.567  -7.966
  484   3HB   ALA  49          2HB       ALA  49   1.994 -12.922  -9.095
  485    QB   ALA  49           QB       ALA  49   2.521 -12.252  -8.540
  486    H    THR  50           H        THR  50   1.956 -10.534  -5.627
  487    HA   THR  50           HA       THR  50   3.075 -12.216  -3.425
  488    HB   THR  50           HB       THR  50   5.007 -10.645  -3.365
  489    HG1  THR  50          1HG       THR  50   5.115  -9.009  -4.733
  490   1HG2  THR  50          3HG2      THR  50   4.836 -12.788  -4.831
  491   2HG2  THR  50          2HG2      THR  50   4.750 -11.660  -6.182
  492   3HG2  THR  50          1HG2      THR  50   6.165 -11.668  -5.129
  493    QG2  THR  50           QG2      THR  50   5.251 -12.039  -5.381
  494    H    LYS  51           H        LYS  51   0.649 -10.262  -4.089
  495    HA   LYS  51           HA       LYS  51  -0.577  -8.622  -2.952
  496   1HB   LYS  51          2HB       LYS  51   0.855 -10.276  -0.889
  497   2HB   LYS  51          1HB       LYS  51  -0.259  -8.996  -0.396
  498   1HG   LYS  51          2HG       LYS  51  -1.637 -10.921  -0.571
  499   2HG   LYS  51          1HG       LYS  51  -1.900 -10.035  -2.071
  500   1HD   LYS  51          2HD       LYS  51  -0.977 -11.622  -3.348
  501   2HD   LYS  51          1HD       LYS  51   0.345 -11.909  -2.214
  502   1HE   LYS  51          2HE       LYS  51  -1.417 -13.093  -0.733
  503   2HE   LYS  51          1HE       LYS  51  -2.438 -13.101  -2.185
  504   1HZ   LYS  51          3HZ       LYS  51   0.371 -14.064  -2.125
  505   2HZ   LYS  51          2HZ       LYS  51  -0.979 -15.086  -1.987
  506   3HZ   LYS  51          1HZ       LYS  51  -0.726 -14.196  -3.411
  507    QB   LYS  51           QB       LYS  51   0.298  -9.636  -0.643
  508    QG   LYS  51           QG       LYS  51  -1.768 -10.478  -1.321
  509    QD   LYS  51           QD       LYS  51  -0.316 -11.766  -2.781
  510    QE   LYS  51           QE       LYS  51  -1.927 -13.097  -1.459
  511    QZ   LYS  51           QZ       LYS  51  -0.445 -14.449  -2.508
  512    H    THR  52           H        THR  52   1.826  -7.599  -4.029
  513    HA   THR  52           HA       THR  52   2.690  -5.646  -1.915
  514    HB   THR  52           HB       THR  52   4.208  -6.417  -4.416
  515    HG1  THR  52          1HG       THR  52   5.305  -7.896  -3.011
  516   1HG2  THR  52          3HG2      THR  52   4.829  -5.063  -1.801
  517   2HG2  THR  52          2HG2      THR  52   6.110  -5.841  -2.731
  518   3HG2  THR  52          1HG2      THR  52   5.183  -4.520  -3.441
  519    QG2  THR  52           QG2      THR  52   5.374  -5.141  -2.658
  520    H    PHE  53           H        PHE  53   1.552  -3.771  -2.305
  521    HA   PHE  53           HA       PHE  53   0.540  -3.024  -4.907
  522   1HB   PHE  53          2HB       PHE  53   0.864  -1.630  -2.243
  523   2HB   PHE  53          1HB       PHE  53   0.091  -0.846  -3.623
  524    HD1  PHE  53          2HD       PHE  53  -0.128  -3.737  -1.280
  525    HD2  PHE  53          1HD       PHE  53  -2.139  -1.443  -4.316
  526    HE1  PHE  53          2HE       PHE  53  -2.255  -4.894  -0.747
  527    HE2  PHE  53          1HE       PHE  53  -4.254  -2.612  -3.782
  528   1HZ   PHE  53           HZ       PHE  53  -4.315  -4.336  -2.003
  529    QB   PHE  53           QB       PHE  53   0.477  -1.238  -2.933
  530    QG   PHE  53           QD       PHE  53  -1.134  -2.590  -2.798
  531    QZ   PHE  53           QE       PHE  53  -3.255  -3.753  -2.265
  532    QZ   PHE  53           QR       PHE  53  -2.618  -3.404  -2.426
  533    H    THR  54           H        THR  54   1.220  -0.443  -5.507
  534    HA   THR  54           HA       THR  54   4.138  -0.072  -5.248
  535    HB   THR  54           HB       THR  54   3.062  -0.174  -8.040
  536    HG1  THR  54          1HG       THR  54   2.377  -2.141  -7.483
  537   1HG2  THR  54          1HG2      THR  54   5.491   0.370  -7.025
  538   2HG2  THR  54          3HG2      THR  54   5.648  -1.377  -7.210
  539   3HG2  THR  54          2HG2      THR  54   5.268  -0.372  -8.609
  540    QG2  THR  54           QG2      THR  54   5.469  -0.460  -7.615
  541    H    VAL  55           H        VAL  55   3.911   2.021  -4.530
  542    HA   VAL  55           HA       VAL  55   2.220   3.828  -6.201
  543    HB   VAL  55           HB       VAL  55   1.319   3.370  -3.971
  544   1HG1  VAL  55          2HG1      VAL  55   4.054   4.322  -3.071
  545   2HG1  VAL  55          1HG1      VAL  55   2.659   4.195  -1.986
  546   3HG1  VAL  55          3HG1      VAL  55   3.293   2.747  -2.777
  547   1HG2  VAL  55          2HG2      VAL  55   2.522   6.141  -4.240
  548   2HG2  VAL  55          1HG2      VAL  55   0.957   5.616  -4.856
  549   3HG2  VAL  55          3HG2      VAL  55   1.231   5.709  -3.118
  550    QG1  VAL  55           QG1      VAL  55   3.335   3.755  -2.611
  551    QG2  VAL  55           QG2      VAL  55   1.570   5.822  -4.071
  552    QQG  VAL  55           QQG      VAL  55   2.452   4.788  -3.341
  553    H    THR  56           H        THR  56   3.051   5.810  -6.780
  554    HA   THR  56           HA       THR  56   5.779   6.536  -5.828
  555    HB   THR  56           HB       THR  56   5.741   5.085  -7.933
  556    HG1  THR  56          1HG       THR  56   7.276   6.488  -8.965
  557   1HG2  THR  56          1HG2      THR  56   3.811   6.889  -8.778
  558   2HG2  THR  56          3HG2      THR  56   5.251   7.355  -9.685
  559   3HG2  THR  56          2HG2      THR  56   4.645   5.699  -9.782
  560    QG2  THR  56           QG2      THR  56   4.569   6.647  -9.415
  561    H    GLU  57           H        GLU  57   6.180   8.731  -7.465
  562    HA   GLU  57           HA       GLU  57   3.750  10.436  -7.043
  563   1HB   GLU  57          2HB       GLU  57   5.391  10.602  -5.165
  564   2HB   GLU  57          1HB       GLU  57   6.627  11.100  -6.320
  565   1HG   GLU  57          2HG       GLU  57   5.284  13.066  -6.937
  566   2HG   GLU  57          1HG       GLU  57   4.020  12.564  -5.812
  567    QB   GLU  57           QB       GLU  57   6.009  10.851  -5.743
  568    QG   GLU  57           QG       GLU  57   4.652  12.815  -6.374
   
  No H/Q in entry =         568
  Start of MODEL   38
    1   1H    MET   1          1HT       MET   1  -3.937 -14.594   7.576
    2   2H    MET   1          3HT       MET   1  -3.049 -15.773   6.741
    3   3H    MET   1          2HT       MET   1  -2.928 -15.660   8.431
    4    HA   MET   1           HA       MET   1  -1.834 -13.529   8.274
    5   1HB   MET   1          2HB       MET   1  -0.934 -16.005   6.894
    6   2HB   MET   1          1HB       MET   1   0.058 -14.569   6.642
    7   1HG   MET   1          2HG       MET   1  -0.824 -15.347   9.414
    8   2HG   MET   1          1HG       MET   1   0.595 -16.096   8.682
    9   1HE   MET   1          2HE       MET   1  -0.623 -13.951  10.900
   10   2HE   MET   1          1HE       MET   1   0.467 -12.586  11.131
   11   3HE   MET   1          3HE       MET   1  -0.870 -12.470   9.978
   12    QB   MET   1           QB       MET   1  -0.438 -15.287   6.768
   13    QG   MET   1           QG       MET   1  -0.114 -15.722   9.048
   14    QE   MET   1           QE       MET   1  -0.342 -13.002  10.670
   15    H    THR   2           H        THR   2  -2.684 -11.743   7.188
   16    HA   THR   2           HA       THR   2  -2.533 -11.760   4.190
   17    HB   THR   2           HB       THR   2  -4.287 -10.147   6.070
   18    HG1  THR   2          1HG       THR   2  -4.884 -12.382   4.430
   19   1HG2  THR   2          2HG2      THR   2  -3.872 -10.216   3.122
   20   2HG2  THR   2          1HG2      THR   2  -5.532 -10.056   3.696
   21   3HG2  THR   2          3HG2      THR   2  -4.319  -8.864   4.164
   22    QG2  THR   2           QG2      THR   2  -4.575  -9.712   3.661
   23    H    THR   3           H        THR   3  -0.223 -11.148   5.740
   24    HA   THR   3           HA       THR   3   0.091  -8.328   6.259
   25    HB   THR   3           HB       THR   3   2.130 -10.467   5.562
   26    HG1  THR   3          1HG       THR   3   1.579 -11.248   7.410
   27   1HG2  THR   3          1HG2      THR   3   2.316  -7.648   6.410
   28   2HG2  THR   3          3HG2      THR   3   3.284  -8.763   7.375
   29   3HG2  THR   3          2HG2      THR   3   3.521  -8.675   5.630
   30    QG2  THR   3           QG2      THR   3   3.041  -8.362   6.472
   31    H    PHE   4           H        PHE   4  -0.658  -7.168   4.398
   32    HA   PHE   4           HA       PHE   4   0.376  -7.726   1.725
   33   1HB   PHE   4          2HB       PHE   4  -1.377  -5.717   3.087
   34   2HB   PHE   4          1HB       PHE   4  -0.708  -5.291   1.510
   35    HD1  PHE   4          1HD       PHE   4  -0.881  -7.131  -0.343
   36    HD2  PHE   4          2HD       PHE   4  -3.343  -6.998   3.172
   37    HE1  PHE   4          1HE       PHE   4  -2.558  -8.563  -1.467
   38    HE2  PHE   4          2HE       PHE   4  -5.026  -8.429   2.042
   39   1HZ   PHE   4           HZ       PHE   4  -4.633  -9.212  -0.276
   40    QB   PHE   4           QB       PHE   4  -1.042  -5.504   2.298
   41    QG   PHE   4           QD       PHE   4  -2.112  -7.065   1.414
   42    QZ   PHE   4           QE       PHE   4  -3.792  -8.496   0.287
   43    QZ   PHE   4           QR       PHE   4  -3.288  -8.067   0.625
   44    H    LYS   5           H        LYS   5   1.745  -6.185   0.523
   45    HA   LYS   5           HA       LYS   5   3.633  -4.692   2.319
   46   1HB   LYS   5          2HB       LYS   5   4.019  -6.381  -0.164
   47   2HB   LYS   5          1HB       LYS   5   5.279  -5.310   0.446
   48   1HG   LYS   5          2HG       LYS   5   5.324  -6.477   2.570
   49   2HG   LYS   5          1HG       LYS   5   3.939  -7.462   2.104
   50   1HD   LYS   5          2HD       LYS   5   6.312  -7.491   0.295
   51   2HD   LYS   5          1HD       LYS   5   6.449  -8.350   1.830
   52   1HE   LYS   5          2HE       LYS   5   4.224  -9.479   1.249
   53   2HE   LYS   5          1HE       LYS   5   4.442  -8.827  -0.388
   54   1HZ   LYS   5          3HZ       LYS   5   6.454 -10.442   1.088
   55   2HZ   LYS   5          2HZ       LYS   5   5.447 -11.038  -0.145
   56   3HZ   LYS   5          1HZ       LYS   5   6.612  -9.851  -0.493
   57    QB   LYS   5           QB       LYS   5   4.649  -5.846   0.141
   58    QG   LYS   5           QG       LYS   5   4.631  -6.970   2.337
   59    QD   LYS   5           QD       LYS   5   6.380  -7.921   1.063
   60    QE   LYS   5           QE       LYS   5   4.333  -9.153   0.430
   61    QZ   LYS   5           QZ       LYS   5   6.171 -10.444   0.150
   62    H    LEU   6           H        LEU   6   5.058  -3.233   0.578
   63    HA   LEU   6           HA       LEU   6   3.443  -1.991  -1.524
   64   1HB   LEU   6          2HB       LEU   6   2.378  -1.102   0.506
   65   2HB   LEU   6          1HB       LEU   6   3.946  -0.582   1.122
   66    HG   LEU   6           HG       LEU   6   4.150   0.838  -1.001
   67   1HD1  LEU   6          2HD1      LEU   6   1.226   0.063  -1.137
   68   2HD1  LEU   6          1HD1      LEU   6   1.905   1.446  -1.994
   69   3HD1  LEU   6          3HD1      LEU   6   2.457  -0.185  -2.375
   70   1HD2  LEU   6          3HD2      LEU   6   3.297   1.499   1.420
   71   2HD2  LEU   6          2HD2      LEU   6   3.190   2.649   0.089
   72   3HD2  LEU   6          1HD2      LEU   6   1.765   1.731   0.577
   73    QB   LEU   6           QB       LEU   6   3.162  -0.842   0.814
   74    QD1  LEU   6           QD1      LEU   6   1.863   0.441  -1.835
   75    QD2  LEU   6           QD2      LEU   6   2.750   1.960   0.695
   76    QQD  LEU   6           QQD      LEU   6   2.307   1.201  -0.570
   77    H    ILE   7           H        ILE   7   5.205  -1.978  -2.938
   78    HA   ILE   7           HA       ILE   7   7.860  -1.061  -2.020
   79    HB   ILE   7           HB       ILE   7   6.771  -1.897  -4.733
   80   1HG1  ILE   7          2HG1      ILE   7   6.693  -3.707  -3.048
   81   2HG1  ILE   7          1HG1      ILE   7   7.919  -4.038  -4.269
   82   1HG2  ILE   7          3HG2      ILE   7   9.422  -0.943  -3.779
   83   2HG2  ILE   7          2HG2      ILE   7   9.440  -2.342  -4.857
   84   3HG2  ILE   7          1HG2      ILE   7   8.693  -0.833  -5.384
   85   1HD1  ILE   7          3HD1      ILE   7   9.609  -2.974  -2.675
   86   2HD1  ILE   7          2HD1      ILE   7   8.343  -3.021  -1.449
   87   3HD1  ILE   7          1HD1      ILE   7   8.940  -4.522  -2.156
   88    QG1  ILE   7           QG1      ILE   7   7.306  -3.873  -3.659
   89    QG2  ILE   7           QG2      ILE   7   9.185  -1.373  -4.673
   90    QD1  ILE   7           QD1      ILE   7   8.964  -3.506  -2.093
   91    H    ILE   8           H        ILE   8   8.408   1.084  -2.135
   92    HA   ILE   8           HA       ILE   8   6.565   2.888  -3.600
   93    HB   ILE   8           HB       ILE   8   8.846   3.726  -1.816
   94   1HG1  ILE   8          2HG1      ILE   8   7.474   1.990  -0.616
   95   2HG1  ILE   8          1HG1      ILE   8   7.383   3.575   0.125
   96   1HG2  ILE   8          1HG2      ILE   8   6.274   4.888  -2.842
   97   2HG2  ILE   8          3HG2      ILE   8   6.945   5.481  -1.323
   98   3HG2  ILE   8          2HG2      ILE   8   7.891   5.603  -2.805
   99   1HD1  ILE   8          1HD1      ILE   8   5.333   2.519  -1.819
  100   2HD1  ILE   8          3HD1      ILE   8   5.170   2.411  -0.067
  101   3HD1  ILE   8          2HD1      ILE   8   5.225   3.994  -0.847
  102    QG1  ILE   8           QG1      ILE   8   7.429   2.782  -0.246
  103    QG2  ILE   8           QG2      ILE   8   7.037   5.324  -2.323
  104    QD1  ILE   8           QD1      ILE   8   5.242   2.975  -0.911
  105    H    ASN   9           H        ASN   9   7.181   3.398  -5.677
  106    HA   ASN   9           HA       ASN   9   9.986   3.165  -6.544
  107   1HB   ASN   9          2HB       ASN   9   7.813   4.471  -8.172
  108   2HB   ASN   9          1HB       ASN   9   9.125   3.443  -8.717
  109   1HD2  ASN   9          2HD2      ASN   9   5.655   1.716  -8.497
  110   2HD2  ASN   9          1HD2      ASN   9   6.003   3.320  -8.930
  111    QB   ASN   9           QB       ASN   9   8.469   3.957  -8.444
  112    QD2  ASN   9           QD2      ASN   9   5.829   2.518  -8.713
  113    H    GLY  10           H        GLY  10  10.056   5.411  -8.324
  114   1HA   GLY  10          2HA       GLY  10  10.827   7.631  -8.313
  115   2HA   GLY  10          1HA       GLY  10   9.425   7.933  -7.288
  116    QA   GLY  10           QA       GLY  10  10.126   7.782  -7.800
  117    H    LYS  11           H        LYS  11  10.632   9.490  -6.059
  118    HA   LYS  11           HA       LYS  11  12.855   8.384  -4.391
  119   1HB   LYS  11          2HB       LYS  11  13.400  10.788  -4.061
  120   2HB   LYS  11          1HB       LYS  11  13.354  10.354  -5.768
  121   1HG   LYS  11          2HG       LYS  11  11.512  11.639  -6.182
  122   2HG   LYS  11          1HG       LYS  11  10.774  11.269  -4.625
  123   1HD   LYS  11          2HD       LYS  11  11.380  13.621  -4.649
  124   2HD   LYS  11          1HD       LYS  11  12.454  12.777  -3.533
  125   1HE   LYS  11          2HE       LYS  11  14.291  12.910  -4.994
  126   2HE   LYS  11          1HE       LYS  11  13.259  13.143  -6.420
  127   1HZ   LYS  11          2HZ       LYS  11  13.363  15.056  -4.153
  128   2HZ   LYS  11          1HZ       LYS  11  14.321  15.222  -5.547
  129   3HZ   LYS  11          3HZ       LYS  11  12.630  15.285  -5.668
  130    QB   LYS  11           QB       LYS  11  13.377  10.571  -4.914
  131    QG   LYS  11           QG       LYS  11  11.143  11.454  -5.404
  132    QD   LYS  11           QD       LYS  11  11.917  13.199  -4.091
  133    QE   LYS  11           QE       LYS  11  13.775  13.027  -5.707
  134    QZ   LYS  11           QZ       LYS  11  13.438  15.187  -5.123
  135    H    THR  12           H        THR  12   9.561   9.494  -4.247
  136    HA   THR  12           HA       THR  12   9.367  10.443  -1.572
  137    HB   THR  12           HB       THR  12   7.230   8.727  -2.786
  138    HG1  THR  12          1HG       THR  12   8.066  11.252  -3.772
  139   1HG2  THR  12          2HG2      THR  12   7.092  10.194  -0.648
  140   2HG2  THR  12          1HG2      THR  12   7.021  11.552  -1.770
  141   3HG2  THR  12          3HG2      THR  12   5.778  10.302  -1.819
  142    QG2  THR  12           QG2      THR  12   6.630  10.683  -1.412
  143    H    LEU  13           H        LEU  13  10.630   9.215  -0.147
  144    HA   LEU  13           HA       LEU  13  11.119   7.458   1.324
  145   1HB   LEU  13          2HB       LEU  13   9.175   7.024   2.435
  146   2HB   LEU  13          1HB       LEU  13   8.340   7.878   1.148
  147    HG   LEU  13           HG       LEU  13   8.414   5.555  -0.058
  148   1HD1  LEU  13          3HD1      LEU  13   9.530   4.939   2.533
  149   2HD1  LEU  13          2HD1      LEU  13   7.991   4.095   2.363
  150   3HD1  LEU  13          1HD1      LEU  13   9.266   3.853   1.170
  151   1HD2  LEU  13          1HD2      LEU  13   6.472   6.937   1.179
  152   2HD2  LEU  13          3HD2      LEU  13   6.191   5.325   0.510
  153   3HD2  LEU  13          2HD2      LEU  13   6.511   5.528   2.237
  154    QB   LEU  13           QB       LEU  13   8.757   7.451   1.792
  155    QD1  LEU  13           QD1      LEU  13   8.929   4.296   2.022
  156    QD2  LEU  13           QD2      LEU  13   6.391   5.930   1.308
  157    QQD  LEU  13           QQD      LEU  13   7.660   5.113   1.665
  158    H    LYS  14           H        LYS  14  11.219   4.914   1.349
  159    HA   LYS  14           HA       LYS  14  10.935   3.585  -1.213
  160   1HB   LYS  14          2HB       LYS  14  13.391   3.217  -1.480
  161   2HB   LYS  14          1HB       LYS  14  12.950   4.918  -1.594
  162   1HG   LYS  14          2HG       LYS  14  14.403   5.371   0.064
  163   2HG   LYS  14          1HG       LYS  14  13.410   4.412   1.159
  164   1HD   LYS  14          2HD       LYS  14  15.615   3.470   1.239
  165   2HD   LYS  14          1HD       LYS  14  14.631   2.360   0.285
  166   1HE   LYS  14          2HE       LYS  14  15.611   3.048  -1.752
  167   2HE   LYS  14          1HE       LYS  14  16.218   4.560  -1.050
  168   1HZ   LYS  14          1HZ       LYS  14  17.054   1.863  -0.132
  169   2HZ   LYS  14          3HZ       LYS  14  17.930   2.778  -1.259
  170   3HZ   LYS  14          2HZ       LYS  14  17.721   3.357   0.325
  171    QB   LYS  14           QB       LYS  14  13.170   4.067  -1.537
  172    QG   LYS  14           QG       LYS  14  13.907   4.892   0.612
  173    QD   LYS  14           QD       LYS  14  15.123   2.915   0.762
  174    QE   LYS  14           QE       LYS  14  15.914   3.804  -1.401
  175    QZ   LYS  14           QZ       LYS  14  17.568   2.666  -0.355
  176    H    GLY  15           H        GLY  15   9.989   1.766  -0.332
  177   1HA   GLY  15          2HA       GLY  15  11.561  -0.169   1.048
  178   2HA   GLY  15          1HA       GLY  15  10.597   0.693   2.245
  179    QA   GLY  15           QA       GLY  15  11.079   0.262   1.647
  180    H    GLU  16           H        GLU  16   9.668  -1.538   2.511
  181    HA   GLU  16           HA       GLU  16   7.610  -2.192   0.430
  182   1HB   GLU  16          2HB       GLU  16   9.538  -3.759   1.273
  183   2HB   GLU  16          1HB       GLU  16   8.506  -3.972   2.687
  184   1HG   GLU  16          2HG       GLU  16   6.935  -5.161   1.532
  185   2HG   GLU  16          1HG       GLU  16   7.157  -4.222   0.056
  186    QB   GLU  16           QB       GLU  16   9.022  -3.865   1.980
  187    QG   GLU  16           QG       GLU  16   7.046  -4.692   0.794
  188    H    ILE  17           H        ILE  17   8.126  -1.778   3.938
  189    HA   ILE  17           HA       ILE  17   6.592  -1.392   5.695
  190    HB   ILE  17           HB       ILE  17   5.010  -0.307   3.338
  191   1HG1  ILE  17          2HG1      ILE  17   7.263   0.668   3.468
  192   2HG1  ILE  17          1HG1      ILE  17   6.055   1.860   3.942
  193   1HG2  ILE  17          3HG2      ILE  17   4.063  -0.663   5.857
  194   2HG2  ILE  17          2HG2      ILE  17   4.805   0.927   6.027
  195   3HG2  ILE  17          1HG2      ILE  17   3.560   0.662   4.808
  196   1HD1  ILE  17          1HD1      ILE  17   6.555   0.874   6.370
  197   2HD1  ILE  17          3HD1      ILE  17   8.093   0.449   5.619
  198   3HD1  ILE  17          2HD1      ILE  17   7.571   2.132   5.671
  199    QG1  ILE  17           QG1      ILE  17   6.659   1.264   3.705
  200    QG2  ILE  17           QG2      ILE  17   4.142   0.308   5.564
  201    QD1  ILE  17           QD1      ILE  17   7.406   1.152   5.886
  202    H    THR  18           H        THR  18   6.354  -3.834   5.731
  203    HA   THR  18           HA       THR  18   4.049  -5.079   4.450
  204    HB   THR  18           HB       THR  18   4.758  -7.003   5.837
  205    HG1  THR  18          1HG       THR  18   5.261  -5.936   7.729
  206   1HG2  THR  18          1HG2      THR  18   6.538  -5.468   4.103
  207   2HG2  THR  18          3HG2      THR  18   7.430  -6.454   5.263
  208   3HG2  THR  18          2HG2      THR  18   6.268  -7.209   4.173
  209    QG2  THR  18           QG2      THR  18   6.745  -6.377   4.513
  210    H    ILE  19           H        ILE  19   1.965  -5.075   5.222
  211    HA   ILE  19           HA       ILE  19   1.516  -4.622   8.141
  212    HB   ILE  19           HB       ILE  19  -0.191  -2.915   7.579
  213   1HG1  ILE  19          2HG1      ILE  19   0.309  -2.087   5.025
  214   2HG1  ILE  19          1HG1      ILE  19   0.470  -3.833   4.838
  215   1HG2  ILE  19          1HG2      ILE  19   2.386  -2.479   7.853
  216   2HG2  ILE  19          3HG2      ILE  19   2.309  -2.086   6.136
  217   3HG2  ILE  19          2HG2      ILE  19   1.338  -1.177   7.294
  218   1HD1  ILE  19          1HD1      ILE  19  -1.749  -4.085   6.007
  219   2HD1  ILE  19          3HD1      ILE  19  -1.916  -2.329   5.951
  220   3HD1  ILE  19          2HD1      ILE  19  -1.847  -3.257   4.452
  221    QG1  ILE  19           QG1      ILE  19   0.389  -2.960   4.931
  222    QG2  ILE  19           QG2      ILE  19   2.011  -1.914   7.095
  223    QD1  ILE  19           QD1      ILE  19  -1.838  -3.224   5.470
  224    H    GLU  20           H        GLU  20  -0.315  -5.658   8.951
  225    HA   GLU  20           HA       GLU  20  -1.511  -7.753   7.272
  226   1HB   GLU  20          2HB       GLU  20  -0.750  -7.757   9.782
  227   2HB   GLU  20          1HB       GLU  20  -2.323  -7.014  10.077
  228   1HG   GLU  20          2HG       GLU  20  -3.135  -9.020   8.501
  229   2HG   GLU  20          1HG       GLU  20  -1.675  -9.774   9.142
  230    QB   GLU  20           QB       GLU  20  -1.537  -7.385   9.929
  231    QG   GLU  20           QG       GLU  20  -2.405  -9.397   8.822
  232    H    ALA  21           H        ALA  21  -3.756  -7.882   6.762
  233    HA   ALA  21           HA       ALA  21  -5.618  -5.759   7.553
  234   1HB   ALA  21          2HB       ALA  21  -3.934  -5.035   5.624
  235   2HB   ALA  21          1HB       ALA  21  -5.060  -5.939   4.614
  236   3HB   ALA  21          3HB       ALA  21  -5.632  -4.564   5.558
  237    QB   ALA  21           QB       ALA  21  -4.875  -5.179   5.266
  238    H    VAL  22           H        VAL  22  -7.790  -6.270   6.898
  239    HA   VAL  22           HA       VAL  22  -8.565  -8.959   6.786
  240    HB   VAL  22           HB       VAL  22 -10.018  -7.046   7.337
  241   1HG1  VAL  22          1HG1      VAL  22  -8.981  -5.648   5.405
  242   2HG1  VAL  22          3HG1      VAL  22 -10.201  -6.420   4.391
  243   3HG1  VAL  22          2HG1      VAL  22 -10.695  -5.426   5.762
  244   1HG2  VAL  22          3HG2      VAL  22 -10.799  -9.309   6.085
  245   2HG2  VAL  22          2HG2      VAL  22 -11.937  -8.059   6.587
  246   3HG2  VAL  22          1HG2      VAL  22 -11.375  -8.120   4.916
  247    QG1  VAL  22           QG1      VAL  22  -9.959  -5.831   5.186
  248    QG2  VAL  22           QG2      VAL  22 -11.370  -8.496   5.862
  249    QQG  VAL  22           QQG      VAL  22 -10.665  -7.164   5.524
  250    H    ASP  23           H        ASP  23  -7.917  -6.728   4.105
  251    HA   ASP  23           HA       ASP  23  -7.413  -8.972   2.269
  252   1HB   ASP  23          2HB       ASP  23  -9.886  -7.296   2.292
  253   2HB   ASP  23          1HB       ASP  23  -9.190  -7.678   0.717
  254    QB   ASP  23           QB       ASP  23  -9.538  -7.487   1.504
  255    H    ALA  24           H        ALA  24  -6.867  -7.949   0.006
  256    HA   ALA  24           HA       ALA  24  -4.797  -6.008   0.326
  257   1HB   ALA  24          1HB       ALA  24  -5.437  -7.757  -1.569
  258   2HB   ALA  24          3HB       ALA  24  -6.256  -6.361  -2.273
  259   3HB   ALA  24          2HB       ALA  24  -4.519  -6.302  -1.966
  260    QB   ALA  24           QB       ALA  24  -5.404  -6.807  -1.936
  261    H    ALA  25           H        ALA  25  -8.233  -5.690  -0.392
  262    HA   ALA  25           HA       ALA  25  -8.346  -3.042  -1.367
  263   1HB   ALA  25          1HB       ALA  25 -10.214  -4.672  -1.288
  264   2HB   ALA  25          3HB       ALA  25 -10.258  -4.521   0.468
  265   3HB   ALA  25          2HB       ALA  25 -10.675  -3.139  -0.545
  266    QB   ALA  25           QB       ALA  25 -10.382  -4.111  -0.455
  267    H    GLU  26           H        GLU  26  -8.347  -4.261   1.977
  268    HA   GLU  26           HA       GLU  26  -8.515  -1.631   3.213
  269   1HB   GLU  26          2HB       GLU  26  -8.716  -4.339   3.945
  270   2HB   GLU  26          1HB       GLU  26  -7.290  -3.760   4.804
  271   1HG   GLU  26          2HG       GLU  26  -9.594  -1.910   4.873
  272   2HG   GLU  26          1HG       GLU  26  -9.864  -3.446   5.695
  273    QB   GLU  26           QB       GLU  26  -8.003  -4.049   4.374
  274    QG   GLU  26           QG       GLU  26  -9.729  -2.678   5.284
  275    H    ALA  27           H        ALA  27  -5.890  -3.967   2.575
  276    HA   ALA  27           HA       ALA  27  -3.705  -2.561   3.716
  277   1HB   ALA  27          2HB       ALA  27  -4.166  -4.583   1.583
  278   2HB   ALA  27          1HB       ALA  27  -2.613  -3.743   1.520
  279   3HB   ALA  27          3HB       ALA  27  -3.073  -4.645   2.968
  280    QB   ALA  27           QB       ALA  27  -3.284  -4.324   2.024
  281    H    GLU  28           H        GLU  28  -5.112  -2.325   0.437
  282    HA   GLU  28           HA       GLU  28  -3.312  -0.385  -0.631
  283   1HB   GLU  28          2HB       GLU  28  -5.206  -1.823  -1.711
  284   2HB   GLU  28          1HB       GLU  28  -6.265  -0.493  -1.249
  285   1HG   GLU  28          2HG       GLU  28  -4.716   1.078  -2.459
  286   2HG   GLU  28          1HG       GLU  28  -3.821  -0.325  -3.049
  287    QB   GLU  28           QB       GLU  28  -5.736  -1.158  -1.480
  288    QG   GLU  28           QG       GLU  28  -4.268   0.376  -2.754
  289    H    LYS  29           H        LYS  29  -6.280  -0.049   1.315
  290    HA   LYS  29           HA       LYS  29  -6.422   2.839   1.188
  291   1HB   LYS  29          2HB       LYS  29  -7.480   0.677   3.012
  292   2HB   LYS  29          1HB       LYS  29  -7.798   2.379   3.338
  293   1HG   LYS  29          2HG       LYS  29  -8.302   1.670   0.539
  294   2HG   LYS  29          1HG       LYS  29  -9.292   0.735   1.658
  295   1HD   LYS  29          2HD       LYS  29 -10.540   2.716   1.184
  296   2HD   LYS  29          1HD       LYS  29  -9.865   2.946   2.797
  297   1HE   LYS  29          2HE       LYS  29  -7.888   4.120   1.605
  298   2HE   LYS  29          1HE       LYS  29  -8.967   4.200   0.197
  299   1HZ   LYS  29          2HZ       LYS  29 -10.675   5.168   1.651
  300   2HZ   LYS  29          1HZ       LYS  29  -9.563   5.192   2.935
  301   3HZ   LYS  29          3HZ       LYS  29  -9.290   6.147   1.561
  302    QB   LYS  29           QB       LYS  29  -7.639   1.528   3.175
  303    QG   LYS  29           QG       LYS  29  -8.797   1.202   1.098
  304    QD   LYS  29           QD       LYS  29 -10.202   2.831   1.991
  305    QE   LYS  29           QE       LYS  29  -8.428   4.160   0.901
  306    QZ   LYS  29           QZ       LYS  29  -9.843   5.503   2.049
  307    H    ILE  30           H        ILE  30  -5.195   0.595   3.692
  308    HA   ILE  30           HA       ILE  30  -4.120   2.537   5.483
  309    HB   ILE  30           HB       ILE  30  -3.235  -0.297   4.800
  310   1HG1  ILE  30          2HG1      ILE  30  -4.964   0.636   7.102
  311   2HG1  ILE  30          1HG1      ILE  30  -5.650   0.131   5.560
  312   1HG2  ILE  30          2HG2      ILE  30  -1.575   1.143   6.109
  313   2HG2  ILE  30          1HG2      ILE  30  -2.785   1.211   7.389
  314   3HG2  ILE  30          3HG2      ILE  30  -2.096  -0.340   6.909
  315   1HD1  ILE  30          3HD1      ILE  30  -3.833  -1.900   6.176
  316   2HD1  ILE  30          2HD1      ILE  30  -4.572  -1.501   7.728
  317   3HD1  ILE  30          1HD1      ILE  30  -5.586  -1.979   6.367
  318    QG1  ILE  30           QG1      ILE  30  -5.307   0.384   6.331
  319    QG2  ILE  30           QG2      ILE  30  -2.152   0.672   6.802
  320    QD1  ILE  30           QD1      ILE  30  -4.664  -1.794   6.757
  321    H    PHE  31           H        PHE  31  -2.789   0.978   2.599
  322    HA   PHE  31           HA       PHE  31  -0.140   2.176   2.829
  323   1HB   PHE  31          2HB       PHE  31  -1.741   0.619   0.811
  324   2HB   PHE  31          1HB       PHE  31  -0.245   1.397   0.296
  325    HD1  PHE  31          1HD       PHE  31   1.562   1.137   2.517
  326    HD2  PHE  31          2HD       PHE  31  -1.375  -1.658   1.100
  327    HE1  PHE  31          1HE       PHE  31   2.874  -0.728   3.489
  328    HE2  PHE  31          2HE       PHE  31  -0.062  -3.523   2.076
  329   1HZ   PHE  31           HZ       PHE  31   2.061  -3.061   3.269
  330    QB   PHE  31           QB       PHE  31  -0.993   1.008   0.553
  331    QG   PHE  31           QD       PHE  31   0.094  -0.261   1.809
  332    QZ   PHE  31           QE       PHE  31   1.406  -2.125   2.783
  333    QZ   PHE  31           QR       PHE  31   1.012  -1.567   2.490
  334    H    LYS  32           H        LYS  32  -3.171   2.919   1.174
  335    HA   LYS  32           HA       LYS  32  -2.124   5.173  -0.307
  336   1HB   LYS  32          2HB       LYS  32  -4.826   3.983   0.244
  337   2HB   LYS  32          1HB       LYS  32  -4.674   5.506  -0.626
  338   1HG   LYS  32          2HG       LYS  32  -2.862   3.367  -1.570
  339   2HG   LYS  32          1HG       LYS  32  -4.578   3.048  -1.826
  340   1HD   LYS  32          2HD       LYS  32  -3.175   5.607  -2.650
  341   2HD   LYS  32          1HD       LYS  32  -3.525   4.264  -3.740
  342   1HE   LYS  32          2HE       LYS  32  -5.700   4.886  -3.958
  343   2HE   LYS  32          1HE       LYS  32  -5.886   5.119  -2.208
  344   1HZ   LYS  32          2HZ       LYS  32  -4.617   7.186  -2.405
  345   2HZ   LYS  32          1HZ       LYS  32  -4.532   6.983  -4.090
  346   3HZ   LYS  32          3HZ       LYS  32  -6.033   7.239  -3.342
  347    QB   LYS  32           QB       LYS  32  -4.750   4.744  -0.191
  348    QG   LYS  32           QG       LYS  32  -3.720   3.208  -1.698
  349    QD   LYS  32           QD       LYS  32  -3.350   4.935  -3.195
  350    QE   LYS  32           QE       LYS  32  -5.793   5.003  -3.083
  351    QZ   LYS  32           QZ       LYS  32  -5.061   7.136  -3.279
  352    H    GLN  33           H        GLN  33  -2.606   4.852   2.960
  353    HA   GLN  33           HA       GLN  33  -3.589   7.685   3.300
  354   1HB   GLN  33          2HB       GLN  33  -4.845   5.902   4.498
  355   2HB   GLN  33          1HB       GLN  33  -3.340   5.316   5.209
  356   1HG   GLN  33          2HG       GLN  33  -3.048   7.349   6.463
  357   2HG   GLN  33          1HG       GLN  33  -4.372   8.135   5.602
  358   1HE2  GLN  33          2HE2      GLN  33  -6.808   6.902   7.817
  359   2HE2  GLN  33          1HE2      GLN  33  -6.394   8.012   6.602
  360    QB   GLN  33           QB       GLN  33  -4.093   5.609   4.854
  361    QG   GLN  33           QG       GLN  33  -3.710   7.742   6.033
  362    QE2  GLN  33           QE2      GLN  33  -6.601   7.457   7.209
  363    H    TYR  34           H        TYR  34  -1.309   5.234   4.282
  364    HA   TYR  34           HA       TYR  34   0.665   6.649   5.707
  365   1HB   TYR  34          2HB       TYR  34   0.636   4.282   5.566
  366   2HB   TYR  34          1HB       TYR  34   0.441   4.309   3.810
  367    HD1  TYR  34          2HD       TYR  34   2.865   5.183   6.552
  368    HD2  TYR  34          1HD       TYR  34   2.367   4.042   2.440
  369    HE1  TYR  34          2HE       TYR  34   5.321   4.946   6.319
  370    HE2  TYR  34          1HE       TYR  34   4.824   3.806   2.209
  371    HH   TYR  34           HH       TYR  34   7.012   4.944   4.612
  372    QB   TYR  34           QB       TYR  34   0.539   4.295   4.688
  373    QG   TYR  34           QD       TYR  34   2.616   4.612   4.496
  374    QZ   TYR  34           QE       TYR  34   5.073   4.376   4.264
  375    QR   TYR  34           QR       TYR  34   3.844   4.494   4.380
  376    H    ALA  35           H        ALA  35  -0.019   6.444   2.251
  377    HA   ALA  35           HA       ALA  35   2.398   7.633   1.200
  378   1HB   ALA  35          1HB       ALA  35  -0.312   6.844   0.328
  379   2HB   ALA  35          3HB       ALA  35   0.336   8.236  -0.550
  380   3HB   ALA  35          2HB       ALA  35   1.225   6.707  -0.529
  381    QB   ALA  35           QB       ALA  35   0.416   7.262  -0.251
  382    H    ASN  36           H        ASN  36  -0.898   8.997   1.388
  383    HA   ASN  36           HA       ASN  36  -0.273  11.718   0.958
  384   1HB   ASN  36          2HB       ASN  36  -2.440  10.328   2.552
  385   2HB   ASN  36          1HB       ASN  36  -2.482  12.049   2.161
  386   1HD2  ASN  36          2HD2      ASN  36  -3.341   9.305  -0.729
  387   2HD2  ASN  36          1HD2      ASN  36  -2.823   8.809   0.809
  388    QB   ASN  36           QB       ASN  36  -2.461  11.189   2.357
  389    QD2  ASN  36           QD2      ASN  36  -3.082   9.057   0.040
  390    H    ASP  37           H        ASP  37  -0.426   9.892   4.009
  391    HA   ASP  37           HA       ASP  37  -0.178  11.917   5.917
  392   1HB   ASP  37          2HB       ASP  37  -0.396   9.429   6.251
  393   2HB   ASP  37          1HB       ASP  37   1.327   9.289   5.899
  394    QB   ASP  37           QB       ASP  37   0.465   9.359   6.075
  395    H    ASN  38           H        ASN  38   2.241  10.768   3.702
  396    HA   ASN  38           HA       ASN  38   4.292  12.500   4.949
  397   1HB   ASN  38          2HB       ASN  38   4.540   9.954   4.429
  398   2HB   ASN  38          1HB       ASN  38   4.748  10.487   2.761
  399   1HD2  ASN  38          2HD2      ASN  38   8.178  10.915   3.478
  400   2HD2  ASN  38          1HD2      ASN  38   7.009  10.135   2.526
  401    QB   ASN  38           QB       ASN  38   4.644  10.220   3.595
  402    QD2  ASN  38           QD2      ASN  38   7.594  10.525   3.002
  403    H    GLY  39           H        GLY  39   3.028  11.565   1.750
  404   1HA   GLY  39          2HA       GLY  39   2.338  13.748   0.450
  405   2HA   GLY  39          1HA       GLY  39   4.065  14.096   0.588
  406    QA   GLY  39           QA       GLY  39   3.202  13.922   0.519
  407    H    ILE  40           H        ILE  40   1.968  11.338  -0.298
  408    HA   ILE  40           HA       ILE  40   3.924  10.646  -2.468
  409    HB   ILE  40           HB       ILE  40   2.054   9.124  -0.683
  410   1HG1  ILE  40          2HG1      ILE  40   4.584  10.152  -0.174
  411   2HG1  ILE  40          1HG1      ILE  40   3.783   8.904   0.756
  412   1HG2  ILE  40          3HG2      ILE  40   2.196   8.073  -2.925
  413   2HG2  ILE  40          2HG2      ILE  40   3.944   7.950  -2.723
  414   3HG2  ILE  40          1HG2      ILE  40   2.865   7.060  -1.644
  415   1HD1  ILE  40          3HD1      ILE  40   5.420   8.234  -1.677
  416   2HD1  ILE  40          2HD1      ILE  40   6.165   8.430  -0.086
  417   3HD1  ILE  40          1HD1      ILE  40   4.942   7.180  -0.342
  418    QG1  ILE  40           QG1      ILE  40   4.183   9.528   0.291
  419    QG2  ILE  40           QG2      ILE  40   3.002   7.694  -2.431
  420    QD1  ILE  40           QD1      ILE  40   5.509   7.948  -0.702
  421    H    ASP  41           H        ASP  41   3.064  10.704  -4.538
  422    HA   ASP  41           HA       ASP  41   0.307   9.996  -5.137
  423   1HB   ASP  41          2HB       ASP  41   0.177  12.281  -4.035
  424   2HB   ASP  41          1HB       ASP  41   1.073  12.915  -5.416
  425    QB   ASP  41           QB       ASP  41   0.625  12.598  -4.726
  426    H    GLY  42           H        GLY  42   1.119   8.760  -6.851
  427   1HA   GLY  42          2HA       GLY  42   1.812  10.190  -9.291
  428   2HA   GLY  42          1HA       GLY  42   3.156   9.248  -8.643
  429    QA   GLY  42           QA       GLY  42   2.484   9.719  -8.967
  430    H    GLU  43           H        GLU  43   2.195   6.935  -7.829
  431    HA   GLU  43           HA       GLU  43   0.379   5.844  -9.940
  432   1HB   GLU  43          2HB       GLU  43   3.141   4.828  -9.164
  433   2HB   GLU  43          1HB       GLU  43   2.033   3.995 -10.256
  434   1HG   GLU  43          2HG       GLU  43   3.106   6.797 -10.706
  435   2HG   GLU  43          1HG       GLU  43   3.719   5.343 -11.490
  436    QB   GLU  43           QB       GLU  43   2.587   4.411  -9.710
  437    QG   GLU  43           QG       GLU  43   3.413   6.070 -11.098
  438    H    TRP  44           H        TRP  44  -0.250   3.547  -9.383
  439    HA   TRP  44           HA       TRP  44   0.088   2.564  -6.638
  440   1HB   TRP  44          2HB       TRP  44  -2.356   4.069  -7.556
  441   2HB   TRP  44          1HB       TRP  44  -2.568   2.677  -6.485
  442    HD1  TRP  44           HD       TRP  44  -1.613   6.285  -6.427
  443    HE1  TRP  44          1HE       TRP  44  -0.857   6.921  -4.041
  444    HE3  TRP  44          3HE       TRP  44  -1.318   1.646  -4.386
  445    HZ2  TRP  44          2HZ       TRP  44  -0.207   5.605  -1.576
  446    HZ3  TRP  44          3HZ       TRP  44  -0.626   1.351  -2.009
  447    HH2  TRP  44           HH       TRP  44  -0.067   3.325  -0.617
  448    QB   TRP  44           QB       TRP  44  -2.462   3.373  -7.020
  449    H    THR  45           H        THR  45   0.458   0.468  -7.317
  450    HA   THR  45           HA       THR  45  -1.667  -0.804  -9.009
  451    HB   THR  45           HB       THR  45   0.009  -1.870 -10.335
  452    HG1  THR  45          1HG       THR  45   2.231  -1.633  -9.781
  453   1HG2  THR  45          3HG2      THR  45  -0.350   0.527 -10.869
  454   2HG2  THR  45          2HG2      THR  45   0.990   0.942  -9.800
  455   3HG2  THR  45          1HG2      THR  45   1.287   0.000 -11.265
  456    QG2  THR  45           QG2      THR  45   0.642   0.490 -10.645
  457    H    TYR  46           H        TYR  46  -2.415  -2.651  -8.120
  458    HA   TYR  46           HA       TYR  46  -1.065  -3.720  -5.702
  459   1HB   TYR  46          2HB       TYR  46  -3.412  -3.272  -5.490
  460   2HB   TYR  46          1HB       TYR  46  -3.776  -4.106  -7.005
  461    HD1  TYR  46          2HD       TYR  46  -1.852  -4.893  -3.880
  462    HD2  TYR  46          1HD       TYR  46  -4.801  -6.185  -6.718
  463    HE1  TYR  46          2HE       TYR  46  -2.084  -7.032  -2.659
  464    HE2  TYR  46          1HE       TYR  46  -5.029  -8.334  -5.502
  465    HH   TYR  46           HH       TYR  46  -4.633  -9.154  -3.137
  466    QB   TYR  46           QB       TYR  46  -3.594  -3.689  -6.248
  467    QG   TYR  46           QD       TYR  46  -3.326  -5.539  -5.299
  468    QZ   TYR  46           QE       TYR  46  -3.557  -7.683  -4.081
  469    QR   TYR  46           QR       TYR  46  -3.441  -6.611  -4.690
  470    H    ASP  47           H        ASP  47   0.128  -5.579  -5.797
  471    HA   ASP  47           HA       ASP  47   0.180  -7.125  -8.342
  472   1HB   ASP  47          2HB       ASP  47   2.188  -6.103  -6.970
  473   2HB   ASP  47          1HB       ASP  47   1.983  -7.542  -5.970
  474    QB   ASP  47           QB       ASP  47   2.086  -6.823  -6.470
  475    H    ASP  48           H        ASP  48  -1.642  -8.490  -8.151
  476    HA   ASP  48           HA       ASP  48  -2.396  -9.865  -5.730
  477   1HB   ASP  48          2HB       ASP  48  -3.892 -11.090  -7.290
  478   2HB   ASP  48          1HB       ASP  48  -3.929  -9.352  -7.578
  479    QB   ASP  48           QB       ASP  48  -3.911 -10.221  -7.434
  480    H    ALA  49           H        ALA  49   0.243 -10.419  -7.778
  481    HA   ALA  49           HA       ALA  49   0.271 -13.356  -7.440
  482   1HB   ALA  49          2HB       ALA  49   1.236 -11.460  -9.312
  483   2HB   ALA  49          1HB       ALA  49   2.666 -12.165  -8.561
  484   3HB   ALA  49          3HB       ALA  49   1.480 -13.206  -9.348
  485    QB   ALA  49           QB       ALA  49   1.794 -12.277  -9.074
  486    H    THR  50           H        THR  50   1.723 -10.439  -6.116
  487    HA   THR  50           HA       THR  50   3.333 -12.144  -4.245
  488    HB   THR  50           HB       THR  50   4.950 -10.249  -4.276
  489    HG1  THR  50          1HG       THR  50   4.376  -8.439  -5.147
  490   1HG2  THR  50          3HG2      THR  50   4.719 -12.206  -6.096
  491   2HG2  THR  50          2HG2      THR  50   4.496 -10.820  -7.162
  492   3HG2  THR  50          1HG2      THR  50   5.970 -10.968  -6.205
  493    QG2  THR  50           QG2      THR  50   5.062 -11.331  -6.488
  494    H    LYS  51           H        LYS  51   0.588 -10.338  -4.384
  495    HA   LYS  51           HA       LYS  51  -0.666  -9.123  -2.798
  496   1HB   LYS  51          2HB       LYS  51   1.316 -10.522  -0.965
  497   2HB   LYS  51          1HB       LYS  51  -0.222  -9.824  -0.461
  498   1HG   LYS  51          2HG       LYS  51  -0.479 -11.674  -2.735
  499   2HG   LYS  51          1HG       LYS  51   0.148 -12.443  -1.278
  500   1HD   LYS  51          2HD       LYS  51  -2.183 -10.602  -0.971
  501   2HD   LYS  51          1HD       LYS  51  -2.479 -12.182  -1.697
  502   1HE   LYS  51          2HE       LYS  51  -1.614 -13.329   0.238
  503   2HE   LYS  51          1HE       LYS  51  -1.003 -11.814   0.931
  504   1HZ   LYS  51          2HZ       LYS  51  -3.856 -12.324   0.278
  505   2HZ   LYS  51          1HZ       LYS  51  -3.195 -12.482   1.835
  506   3HZ   LYS  51          3HZ       LYS  51  -3.220 -10.966   1.076
  507    QB   LYS  51           QB       LYS  51   0.547 -10.173  -0.713
  508    QG   LYS  51           QG       LYS  51  -0.165 -12.059  -2.007
  509    QD   LYS  51           QD       LYS  51  -2.331 -11.392  -1.334
  510    QE   LYS  51           QE       LYS  51  -1.308 -12.571   0.584
  511    QZ   LYS  51           QZ       LYS  51  -3.424 -11.924   1.063
  512    H    THR  52           H        THR  52   1.536  -7.729  -4.043
  513    HA   THR  52           HA       THR  52   2.258  -5.830  -1.824
  514    HB   THR  52           HB       THR  52   3.962  -6.635  -4.200
  515    HG1  THR  52          1HG       THR  52   3.946  -8.397  -2.956
  516   1HG2  THR  52          1HG2      THR  52   4.376  -4.915  -1.760
  517   2HG2  THR  52          3HG2      THR  52   5.743  -5.649  -2.601
  518   3HG2  THR  52          2HG2      THR  52   4.688  -4.521  -3.451
  519    QG2  THR  52           QG2      THR  52   4.936  -5.028  -2.604
  520    H    PHE  53           H        PHE  53   1.789  -3.698  -2.284
  521    HA   PHE  53           HA       PHE  53   0.566  -3.049  -4.885
  522   1HB   PHE  53          2HB       PHE  53   0.959  -1.609  -2.254
  523   2HB   PHE  53          1HB       PHE  53   0.174  -0.849  -3.639
  524    HD1  PHE  53          2HD       PHE  53  -0.004  -3.784  -1.336
  525    HD2  PHE  53          1HD       PHE  53  -2.113  -1.301  -4.149
  526    HE1  PHE  53          2HE       PHE  53  -2.140  -4.892  -0.715
  527    HE2  PHE  53          1HE       PHE  53  -4.235  -2.418  -3.530
  528   1HZ   PHE  53           HZ       PHE  53  -4.251  -4.210  -1.819
  529    QB   PHE  53           QB       PHE  53   0.567  -1.229  -2.946
  530    QG   PHE  53           QD       PHE  53  -1.058  -2.543  -2.743
  531    QZ   PHE  53           QE       PHE  53  -3.187  -3.655  -2.123
  532    QZ   PHE  53           QR       PHE  53  -2.548  -3.321  -2.310
  533    H    THR  54           H        THR  54   1.303  -0.464  -5.458
  534    HA   THR  54           HA       THR  54   4.236  -0.170  -5.255
  535    HB   THR  54           HB       THR  54   3.072  -0.220  -8.022
  536    HG1  THR  54          1HG       THR  54   2.447  -2.201  -7.571
  537   1HG2  THR  54          3HG2      THR  54   5.538   0.317  -7.079
  538   2HG2  THR  54          2HG2      THR  54   5.685  -1.427  -7.293
  539   3HG2  THR  54          1HG2      THR  54   5.261  -0.404  -8.665
  540    QG2  THR  54           QG2      THR  54   5.494  -0.505  -7.679
  541    H    VAL  55           H        VAL  55   4.030   1.911  -4.457
  542    HA   VAL  55           HA       VAL  55   2.371   3.808  -6.054
  543    HB   VAL  55           HB       VAL  55   1.514   3.420  -3.815
  544   1HG1  VAL  55          1HG1      VAL  55   4.357   4.032  -2.977
  545   2HG1  VAL  55          3HG1      VAL  55   2.996   4.055  -1.848
  546   3HG1  VAL  55          2HG1      VAL  55   3.422   2.558  -2.683
  547   1HG2  VAL  55          2HG2      VAL  55   2.965   6.072  -4.068
  548   2HG2  VAL  55          1HG2      VAL  55   1.308   5.720  -4.552
  549   3HG2  VAL  55          3HG2      VAL  55   1.742   5.735  -2.841
  550    QG1  VAL  55           QG1      VAL  55   3.592   3.548  -2.502
  551    QG2  VAL  55           QG2      VAL  55   2.005   5.842  -3.820
  552    QQG  VAL  55           QQG      VAL  55   2.798   4.695  -3.161
  553    H    THR  56           H        THR  56   3.223   5.813  -6.586
  554    HA   THR  56           HA       THR  56   5.988   6.483  -5.743
  555    HB   THR  56           HB       THR  56   5.945   4.959  -7.807
  556    HG1  THR  56          1HG       THR  56   7.589   6.666  -7.179
  557   1HG2  THR  56          3HG2      THR  56   4.010   6.674  -8.719
  558   2HG2  THR  56          2HG2      THR  56   5.441   7.231  -9.584
  559   3HG2  THR  56          1HG2      THR  56   4.929   5.547  -9.717
  560    QG2  THR  56           QG2      THR  56   4.793   6.484  -9.340
  561    H    GLU  57           H        GLU  57   6.498   8.647  -7.290
  562    HA   GLU  57           HA       GLU  57   4.051  10.371  -7.184
  563   1HB   GLU  57          2HB       GLU  57   5.532  10.455  -5.104
  564   2HB   GLU  57          1HB       GLU  57   6.782  11.159  -6.130
  565   1HG   GLU  57          2HG       GLU  57   4.676  12.732  -6.810
  566   2HG   GLU  57          1HG       GLU  57   4.255  12.357  -5.139
  567    QB   GLU  57           QB       GLU  57   6.157  10.807  -5.617
  568    QG   GLU  57           QG       GLU  57   4.465  12.545  -5.974
   
  No H/Q in entry =         568
  Start of MODEL   39
    1   1H    MET   1          1HT       MET   1   0.567 -13.651   6.466
    2   2H    MET   1          3HT       MET   1  -0.599 -13.422   7.676
    3   3H    MET   1          2HT       MET   1   0.331 -14.841   7.654
    4    HA   MET   1           HA       MET   1  -0.738 -15.643   5.706
    5   1HB   MET   1          2HB       MET   1  -1.821 -15.586   8.080
    6   2HB   MET   1          1HB       MET   1  -2.909 -14.385   7.382
    7   1HG   MET   1          2HG       MET   1  -2.435 -16.989   5.953
    8   2HG   MET   1          1HG       MET   1  -3.584 -16.913   7.289
    9   1HE   MET   1          1HE       MET   1  -5.292 -17.711   6.067
   10   2HE   MET   1          3HE       MET   1  -6.328 -16.842   4.925
   11   3HE   MET   1          2HE       MET   1  -4.893 -17.690   4.352
   12    QB   MET   1           QB       MET   1  -2.365 -14.985   7.731
   13    QG   MET   1           QG       MET   1  -3.009 -16.951   6.621
   14    QE   MET   1           QE       MET   1  -5.504 -17.414   5.115
   15    H    THR   2           H        THR   2  -1.839 -12.347   6.536
   16    HA   THR   2           HA       THR   2  -2.511 -11.932   3.640
   17    HB   THR   2           HB       THR   2  -3.972 -10.905   6.097
   18    HG1  THR   2          1HG       THR   2  -4.570 -12.964   4.243
   19   1HG2  THR   2          3HG2      THR   2  -4.157 -10.368   3.189
   20   2HG2  THR   2          2HG2      THR   2  -5.691 -10.656   4.011
   21   3HG2  THR   2          1HG2      THR   2  -4.629  -9.359   4.556
   22    QG2  THR   2           QG2      THR   2  -4.826 -10.128   3.919
   23    H    THR   3           H        THR   3  -0.029 -11.264   5.095
   24    HA   THR   3           HA       THR   3  -0.029  -8.432   5.761
   25    HB   THR   3           HB       THR   3   2.263 -10.261   4.974
   26    HG1  THR   3          1HG       THR   3   2.094 -11.145   6.880
   27   1HG2  THR   3          3HG2      THR   3   2.234  -7.543   5.594
   28   2HG2  THR   3          2HG2      THR   3   2.675  -8.320   7.116
   29   3HG2  THR   3          1HG2      THR   3   3.637  -8.610   5.667
   30    QG2  THR   3           QG2      THR   3   2.849  -8.158   6.126
   31    H    PHE   4           H        PHE   4  -0.494  -6.978   4.139
   32    HA   PHE   4           HA       PHE   4   0.353  -7.502   1.353
   33   1HB   PHE   4          2HB       PHE   4  -1.291  -5.393   2.774
   34   2HB   PHE   4          1HB       PHE   4  -0.937  -5.315   1.047
   35    HD1  PHE   4          1HD       PHE   4  -1.397  -7.537  -0.297
   36    HD2  PHE   4          2HD       PHE   4  -3.187  -6.552   3.476
   37    HE1  PHE   4          1HE       PHE   4  -3.216  -9.166  -0.736
   38    HE2  PHE   4          2HE       PHE   4  -5.012  -8.168   3.032
   39   1HZ   PHE   4           HZ       PHE   4  -5.022  -9.483   0.930
   40    QB   PHE   4           QB       PHE   4  -1.114  -5.354   1.910
   41    QG   PHE   4           QD       PHE   4  -2.292  -7.045   1.590
   42    QZ   PHE   4           QE       PHE   4  -4.114  -8.667   1.148
   43    QZ   PHE   4           QR       PHE   4  -3.567  -8.181   1.281
   44    H    LYS   5           H        LYS   5   2.348  -6.842   0.710
   45    HA   LYS   5           HA       LYS   5   3.856  -4.835   2.249
   46   1HB   LYS   5          2HB       LYS   5   4.424  -6.511  -0.217
   47   2HB   LYS   5          1HB       LYS   5   5.616  -5.466   0.556
   48   1HG   LYS   5          2HG       LYS   5   5.192  -6.740   2.705
   49   2HG   LYS   5          1HG       LYS   5   4.238  -7.881   1.755
   50   1HD   LYS   5          2HD       LYS   5   6.949  -7.225   0.719
   51   2HD   LYS   5          1HD       LYS   5   6.878  -8.213   2.178
   52   1HE   LYS   5          2HE       LYS   5   5.099  -9.610   0.859
   53   2HE   LYS   5          1HE       LYS   5   5.812  -8.837  -0.571
   54   1HZ   LYS   5          2HZ       LYS   5   8.005  -9.515   0.205
   55   2HZ   LYS   5          1HZ       LYS   5   7.309 -10.292   1.547
   56   3HZ   LYS   5          3HZ       LYS   5   7.004 -10.869  -0.019
   57    QB   LYS   5           QB       LYS   5   5.020  -5.988   0.169
   58    QG   LYS   5           QG       LYS   5   4.715  -7.311   2.230
   59    QD   LYS   5           QD       LYS   5   6.913  -7.719   1.448
   60    QE   LYS   5           QE       LYS   5   5.455  -9.224   0.144
   61    QZ   LYS   5           QZ       LYS   5   7.439 -10.225   0.578
   62    H    LEU   6           H        LEU   6   4.996  -3.061   0.902
   63    HA   LEU   6           HA       LEU   6   3.411  -2.145  -1.442
   64   1HB   LEU   6          2HB       LEU   6   2.274  -1.256   0.547
   65   2HB   LEU   6          1HB       LEU   6   3.797  -0.603   1.147
   66    HG   LEU   6           HG       LEU   6   3.711   0.514  -1.351
   67   1HD1  LEU   6          1HD1      LEU   6   0.959  -0.243  -0.589
   68   2HD1  LEU   6          3HD1      LEU   6   1.158   1.437  -1.089
   69   3HD1  LEU   6          2HD1      LEU   6   1.631   0.134  -2.176
   70   1HD2  LEU   6          2HD2      LEU   6   3.706   1.391   1.255
   71   2HD2  LEU   6          1HD2      LEU   6   3.692   2.450  -0.153
   72   3HD2  LEU   6          3HD2      LEU   6   2.180   2.044   0.659
   73    QB   LEU   6           QB       LEU   6   3.035  -0.929   0.847
   74    QD1  LEU   6           QD1      LEU   6   1.250   0.443  -1.285
   75    QD2  LEU   6           QD2      LEU   6   3.192   1.961   0.587
   76    QQD  LEU   6           QQD      LEU   6   2.221   1.202  -0.349
   77    H    ILE   7           H        ILE   7   5.061  -1.899  -2.893
   78    HA   ILE   7           HA       ILE   7   7.706  -0.886  -2.021
   79    HB   ILE   7           HB       ILE   7   6.585  -1.807  -4.696
   80   1HG1  ILE   7          2HG1      ILE   7   8.487  -3.265  -2.845
   81   2HG1  ILE   7          1HG1      ILE   7   6.740  -3.500  -2.786
   82   1HG2  ILE   7          2HG2      ILE   7   8.524  -0.288  -4.932
   83   2HG2  ILE   7          1HG2      ILE   7   9.449  -1.303  -3.824
   84   3HG2  ILE   7          3HG2      ILE   7   8.947  -1.938  -5.392
   85   1HD1  ILE   7          1HD1      ILE   7   8.409  -3.854  -5.292
   86   2HD1  ILE   7          3HD1      ILE   7   7.932  -5.179  -4.228
   87   3HD1  ILE   7          2HD1      ILE   7   6.702  -4.252  -5.089
   88    QG1  ILE   7           QG1      ILE   7   7.613  -3.382  -2.816
   89    QG2  ILE   7           QG2      ILE   7   8.973  -1.176  -4.716
   90    QD1  ILE   7           QD1      ILE   7   7.681  -4.428  -4.870
   91    H    ILE   8           H        ILE   8   7.967   1.333  -1.990
   92    HA   ILE   8           HA       ILE   8   6.085   2.975  -3.570
   93    HB   ILE   8           HB       ILE   8   8.217   3.768  -1.545
   94   1HG1  ILE   8          2HG1      ILE   8   6.241   4.293  -0.100
   95   2HG1  ILE   8          1HG1      ILE   8   5.200   3.559  -1.298
   96   1HG2  ILE   8          3HG2      ILE   8   7.671   5.532  -3.202
   97   2HG2  ILE   8          2HG2      ILE   8   5.956   5.344  -2.815
   98   3HG2  ILE   8          1HG2      ILE   8   7.078   5.955  -1.596
   99   1HD1  ILE   8          3HD1      ILE   8   7.483   2.004  -0.165
  100   2HD1  ILE   8          2HD1      ILE   8   5.975   2.143   0.741
  101   3HD1  ILE   8          1HD1      ILE   8   5.977   1.422  -0.870
  102    QG1  ILE   8           QG1      ILE   8   5.720   3.926  -0.699
  103    QG2  ILE   8           QG2      ILE   8   6.902   5.610  -2.538
  104    QD1  ILE   8           QD1      ILE   8   6.478   1.856  -0.098
  105    H    ASN   9           H        ASN   9   6.712   3.632  -5.606
  106    HA   ASN   9           HA       ASN   9   9.584   3.463  -6.357
  107   1HB   ASN   9          2HB       ASN   9   7.805   2.378  -7.704
  108   2HB   ASN   9          1HB       ASN   9   7.062   3.953  -7.967
  109   1HD2  ASN   9          2HD2      ASN   9   9.180   4.718 -10.663
  110   2HD2  ASN   9          1HD2      ASN   9   7.740   5.037  -9.824
  111    QB   ASN   9           QB       ASN   9   7.434   3.166  -7.836
  112    QD2  ASN   9           QD2      ASN   9   8.460   4.878 -10.244
  113    H    GLY  10           H        GLY  10  10.522   5.270  -7.635
  114   1HA   GLY  10          2HA       GLY  10  10.668   7.578  -8.281
  115   2HA   GLY  10          1HA       GLY  10   9.238   7.918  -7.304
  116    QA   GLY  10           QA       GLY  10   9.953   7.748  -7.793
  117    H    LYS  11           H        LYS  11  10.744   9.744  -6.580
  118    HA   LYS  11           HA       LYS  11  12.937   9.002  -4.767
  119   1HB   LYS  11          2HB       LYS  11  13.099  11.464  -4.527
  120   2HB   LYS  11          1HB       LYS  11  13.013  10.988  -6.221
  121   1HG   LYS  11          2HG       LYS  11  10.330  11.333  -5.298
  122   2HG   LYS  11          1HG       LYS  11  11.255  12.736  -4.767
  123   1HD   LYS  11          2HD       LYS  11  11.343  11.685  -7.605
  124   2HD   LYS  11          1HD       LYS  11  10.221  12.941  -7.079
  125   1HE   LYS  11          2HE       LYS  11  12.014  14.444  -6.533
  126   2HE   LYS  11          1HE       LYS  11  13.225  13.158  -6.698
  127   1HZ   LYS  11          2HZ       LYS  11  12.576  12.898  -9.018
  128   2HZ   LYS  11          1HZ       LYS  11  11.451  14.161  -8.863
  129   3HZ   LYS  11          3HZ       LYS  11  13.109  14.483  -8.719
  130    QB   LYS  11           QB       LYS  11  13.056  11.226  -5.374
  131    QG   LYS  11           QG       LYS  11  10.792  12.035  -5.032
  132    QD   LYS  11           QD       LYS  11  10.782  12.313  -7.342
  133    QE   LYS  11           QE       LYS  11  12.619  13.801  -6.616
  134    QZ   LYS  11           QZ       LYS  11  12.379  13.847  -8.866
  135    H    THR  12           H        THR  12   9.678   8.763  -4.357
  136    HA   THR  12           HA       THR  12   9.067  10.146  -1.948
  137    HB   THR  12           HB       THR  12   7.583   7.850  -1.829
  138    HG1  THR  12          1HG       THR  12   8.833   7.087  -3.672
  139   1HG2  THR  12          3HG2      THR  12   7.259  10.278  -3.593
  140   2HG2  THR  12          2HG2      THR  12   5.984   9.080  -3.370
  141   3HG2  THR  12          1HG2      THR  12   6.572  10.008  -1.991
  142    QG2  THR  12           QG2      THR  12   6.605   9.789  -2.985
  143    H    LEU  13           H        LEU  13   8.323   8.217  -0.073
  144    HA   LEU  13           HA       LEU  13  10.628   7.824   1.481
  145   1HB   LEU  13          2HB       LEU  13   9.181   6.427   2.843
  146   2HB   LEU  13          1HB       LEU  13   8.210   7.728   2.162
  147    HG   LEU  13           HG       LEU  13   7.739   5.994   0.254
  148   1HD1  LEU  13          3HD1      LEU  13   9.355   4.429   1.928
  149   2HD1  LEU  13          2HD1      LEU  13   7.715   3.873   2.257
  150   3HD1  LEU  13          1HD1      LEU  13   8.344   3.843   0.609
  151   1HD2  LEU  13          1HD2      LEU  13   6.211   7.009   2.085
  152   2HD2  LEU  13          3HD2      LEU  13   5.688   5.500   1.340
  153   3HD2  LEU  13          2HD2      LEU  13   6.445   5.481   2.930
  154    QB   LEU  13           QB       LEU  13   8.695   7.078   2.502
  155    QD1  LEU  13           QD1      LEU  13   8.471   4.048   1.598
  156    QD2  LEU  13           QD2      LEU  13   6.114   5.996   2.118
  157    QQD  LEU  13           QQD      LEU  13   7.293   5.022   1.858
  158    H    LYS  14           H        LYS  14   9.273   5.698  -1.009
  159    HA   LYS  14           HA       LYS  14  10.120   3.727  -2.004
  160   1HB   LYS  14          2HB       LYS  14  12.379   5.527  -1.315
  161   2HB   LYS  14          1HB       LYS  14  12.812   3.878  -1.764
  162   1HG   LYS  14          2HG       LYS  14  10.771   5.039  -3.531
  163   2HG   LYS  14          1HG       LYS  14  12.284   5.945  -3.542
  164   1HD   LYS  14          2HD       LYS  14  13.325   3.490  -3.705
  165   2HD   LYS  14          1HD       LYS  14  11.749   3.139  -4.416
  166   1HE   LYS  14          2HE       LYS  14  12.091   4.607  -6.223
  167   2HE   LYS  14          1HE       LYS  14  13.341   5.524  -5.359
  168   1HZ   LYS  14          1HZ       LYS  14  13.587   2.664  -6.124
  169   2HZ   LYS  14          3HZ       LYS  14  14.264   3.946  -7.007
  170   3HZ   LYS  14          2HZ       LYS  14  14.790   3.636  -5.421
  171    QB   LYS  14           QB       LYS  14  12.596   4.702  -1.540
  172    QG   LYS  14           QG       LYS  14  11.528   5.492  -3.537
  173    QD   LYS  14           QD       LYS  14  12.537   3.314  -4.061
  174    QE   LYS  14           QE       LYS  14  12.716   5.066  -5.791
  175    QZ   LYS  14           QZ       LYS  14  14.214   3.415  -6.184
  176    H    GLY  15           H        GLY  15   9.443   1.989  -0.707
  177   1HA   GLY  15          2HA       GLY  15  11.334   0.401   0.623
  178   2HA   GLY  15          1HA       GLY  15  10.581   1.387   1.875
  179    QA   GLY  15           QA       GLY  15  10.957   0.894   1.249
  180    H    GLU  16           H        GLU  16   9.879  -0.816   2.626
  181    HA   GLU  16           HA       GLU  16   7.172  -1.456   1.554
  182   1HB   GLU  16          2HB       GLU  16   9.665  -3.056   1.433
  183   2HB   GLU  16          1HB       GLU  16   8.238  -3.938   1.983
  184   1HG   GLU  16          2HG       GLU  16   7.001  -3.174  -0.021
  185   2HG   GLU  16          1HG       GLU  16   8.444  -2.326  -0.580
  186    QB   GLU  16           QB       GLU  16   8.951  -3.497   1.708
  187    QG   GLU  16           QG       GLU  16   7.722  -2.750  -0.300
  188    H    ILE  17           H        ILE  17   6.779  -0.315   3.711
  189    HA   ILE  17           HA       ILE  17   7.673  -1.266   6.226
  190    HB   ILE  17           HB       ILE  17   5.646  -0.097   7.065
  191   1HG1  ILE  17          2HG1      ILE  17   4.908   0.266   4.150
  192   2HG1  ILE  17          1HG1      ILE  17   4.181  -0.978   5.168
  193   1HG2  ILE  17          3HG2      ILE  17   7.736   1.093   6.145
  194   2HG2  ILE  17          2HG2      ILE  17   6.763   1.435   4.713
  195   3HG2  ILE  17          1HG2      ILE  17   6.267   2.058   6.287
  196   1HD1  ILE  17          3HD1      ILE  17   4.233   1.814   6.222
  197   2HD1  ILE  17          2HD1      ILE  17   3.085   1.446   4.936
  198   3HD1  ILE  17          1HD1      ILE  17   3.027   0.550   6.454
  199    QG1  ILE  17           QG1      ILE  17   4.545  -0.356   4.659
  200    QG2  ILE  17           QG2      ILE  17   6.922   1.529   5.715
  201    QD1  ILE  17           QD1      ILE  17   3.448   1.270   5.871
  202    H    THR  18           H        THR  18   5.237  -2.573   4.077
  203    HA   THR  18           HA       THR  18   3.941  -4.525   4.165
  204    HB   THR  18           HB       THR  18   4.953  -6.402   5.150
  205    HG1  THR  18          1HG       THR  18   5.030  -5.985   7.247
  206   1HG2  THR  18          3HG2      THR  18   6.569  -4.667   3.778
  207   2HG2  THR  18          2HG2      THR  18   7.502  -4.934   5.251
  208   3HG2  THR  18          1HG2      THR  18   7.027  -6.305   4.249
  209    QG2  THR  18           QG2      THR  18   7.033  -5.302   4.426
  210    H    ILE  19           H        ILE  19   1.943  -4.785   5.006
  211    HA   ILE  19           HA       ILE  19   1.513  -4.441   7.933
  212    HB   ILE  19           HB       ILE  19  -0.311  -2.814   7.471
  213   1HG1  ILE  19          2HG1      ILE  19   0.139  -1.802   4.976
  214   2HG1  ILE  19          1HG1      ILE  19   0.415  -3.519   4.682
  215   1HG2  ILE  19          1HG2      ILE  19   2.193  -2.210   7.831
  216   2HG2  ILE  19          3HG2      ILE  19   2.180  -1.799   6.115
  217   3HG2  ILE  19          2HG2      ILE  19   1.107  -0.955   7.233
  218   1HD1  ILE  19          1HD1      ILE  19  -1.792  -3.970   5.848
  219   2HD1  ILE  19          3HD1      ILE  19  -2.073  -2.229   5.833
  220   3HD1  ILE  19          2HD1      ILE  19  -1.928  -3.113   4.313
  221    QG1  ILE  19           QG1      ILE  19   0.277  -2.660   4.829
  222    QG2  ILE  19           QG2      ILE  19   1.827  -1.655   7.059
  223    QD1  ILE  19           QD1      ILE  19  -1.931  -3.104   5.331
  224    H    GLU  20           H        GLU  20  -0.547  -5.321   8.642
  225    HA   GLU  20           HA       GLU  20  -1.604  -7.433   6.816
  226   1HB   GLU  20          2HB       GLU  20  -1.329  -6.964   9.755
  227   2HB   GLU  20          1HB       GLU  20  -2.684  -7.960   9.222
  228   1HG   GLU  20          2HG       GLU  20  -1.057  -9.348   7.900
  229   2HG   GLU  20          1HG       GLU  20   0.253  -8.424   8.637
  230    QB   GLU  20           QB       GLU  20  -2.007  -7.462   9.488
  231    QG   GLU  20           QG       GLU  20  -0.402  -8.886   8.268
  232    H    ALA  21           H        ALA  21  -3.992  -7.718   6.746
  233    HA   ALA  21           HA       ALA  21  -5.770  -5.674   7.813
  234   1HB   ALA  21          2HB       ALA  21  -4.508  -5.415   5.145
  235   2HB   ALA  21          1HB       ALA  21  -6.247  -5.127   5.182
  236   3HB   ALA  21          3HB       ALA  21  -5.173  -4.166   6.198
  237    QB   ALA  21           QB       ALA  21  -5.309  -4.902   5.508
  238    H    VAL  22           H        VAL  22  -8.019  -5.964   6.883
  239    HA   VAL  22           HA       VAL  22  -8.922  -8.619   6.973
  240    HB   VAL  22           HB       VAL  22 -10.299  -6.603   7.300
  241   1HG1  VAL  22          1HG1      VAL  22  -9.106  -5.417   5.313
  242   2HG1  VAL  22          3HG1      VAL  22 -10.323  -6.206   4.309
  243   3HG1  VAL  22          2HG1      VAL  22 -10.818  -5.083   5.575
  244   1HG2  VAL  22          2HG2      VAL  22 -11.261  -8.852   6.438
  245   2HG2  VAL  22          1HG2      VAL  22 -12.284  -7.422   6.307
  246   3HG2  VAL  22          3HG2      VAL  22 -11.429  -8.026   4.888
  247    QG1  VAL  22           QG1      VAL  22 -10.083  -5.569   5.066
  248    QG2  VAL  22           QG2      VAL  22 -11.658  -8.100   5.878
  249    QQG  VAL  22           QQG      VAL  22 -10.870  -6.834   5.472
  250    H    ASP  23           H        ASP  23  -8.069  -6.649   4.140
  251    HA   ASP  23           HA       ASP  23  -7.609  -9.073   2.528
  252   1HB   ASP  23          2HB       ASP  23  -9.952  -7.219   2.256
  253   2HB   ASP  23          1HB       ASP  23  -9.242  -7.885   0.783
  254    QB   ASP  23           QB       ASP  23  -9.597  -7.552   1.519
  255    H    ALA  24           H        ALA  24  -6.990  -8.213   0.164
  256    HA   ALA  24           HA       ALA  24  -4.789  -6.402   0.471
  257   1HB   ALA  24          3HB       ALA  24  -5.295  -8.241  -1.297
  258   2HB   ALA  24          2HB       ALA  24  -6.207  -6.982  -2.134
  259   3HB   ALA  24          1HB       ALA  24  -4.477  -6.776  -1.845
  260    QB   ALA  24           QB       ALA  24  -5.326  -7.333  -1.759
  261    H    ALA  25           H        ALA  25  -8.142  -5.961  -0.572
  262    HA   ALA  25           HA       ALA  25  -8.051  -3.375  -1.672
  263   1HB   ALA  25          3HB       ALA  25  -9.978  -5.053  -1.454
  264   2HB   ALA  25          2HB       ALA  25 -10.208  -4.419   0.176
  265   3HB   ALA  25          1HB       ALA  25 -10.404  -3.357  -1.219
  266    QB   ALA  25           QB       ALA  25 -10.197  -4.277  -0.832
  267    H    GLU  26           H        GLU  26  -8.646  -4.278   1.744
  268    HA   GLU  26           HA       GLU  26  -8.695  -1.636   2.824
  269   1HB   GLU  26          2HB       GLU  26  -8.943  -4.266   3.709
  270   2HB   GLU  26          1HB       GLU  26  -7.488  -3.708   4.530
  271   1HG   GLU  26          2HG       GLU  26  -9.768  -1.808   4.519
  272   2HG   GLU  26          1HG       GLU  26  -9.989  -3.268   5.483
  273    QB   GLU  26           QB       GLU  26  -8.215  -3.987   4.119
  274    QG   GLU  26           QG       GLU  26  -9.879  -2.538   5.001
  275    H    ALA  27           H        ALA  27  -5.996  -3.924   2.346
  276    HA   ALA  27           HA       ALA  27  -3.889  -2.460   3.544
  277   1HB   ALA  27          1HB       ALA  27  -4.225  -4.501   1.418
  278   2HB   ALA  27          3HB       ALA  27  -2.709  -3.596   1.356
  279   3HB   ALA  27          2HB       ALA  27  -3.143  -4.500   2.812
  280    QB   ALA  27           QB       ALA  27  -3.359  -4.199   1.862
  281    H    GLU  28           H        GLU  28  -5.244  -2.197   0.246
  282    HA   GLU  28           HA       GLU  28  -3.440  -0.244  -0.781
  283   1HB   GLU  28          2HB       GLU  28  -5.403  -1.673  -1.832
  284   2HB   GLU  28          1HB       GLU  28  -6.368  -0.244  -1.460
  285   1HG   GLU  28          2HG       GLU  28  -4.466   1.083  -2.632
  286   2HG   GLU  28          1HG       GLU  28  -3.991  -0.474  -3.313
  287    QB   GLU  28           QB       GLU  28  -5.886  -0.958  -1.646
  288    QG   GLU  28           QG       GLU  28  -4.228   0.304  -2.973
  289    H    LYS  29           H        LYS  29  -6.566   0.178   0.960
  290    HA   LYS  29           HA       LYS  29  -6.582   3.035   0.946
  291   1HB   LYS  29          2HB       LYS  29  -7.752   0.840   2.635
  292   2HB   LYS  29          1HB       LYS  29  -7.969   2.523   3.114
  293   1HG   LYS  29          2HG       LYS  29  -9.763   2.469   1.722
  294   2HG   LYS  29          1HG       LYS  29  -8.558   2.651   0.450
  295   1HD   LYS  29          2HD       LYS  29  -8.826  -0.136   1.261
  296   2HD   LYS  29          1HD       LYS  29 -10.367   0.533   0.728
  297   1HE   LYS  29          2HE       LYS  29  -7.846   0.976  -0.884
  298   2HE   LYS  29          1HE       LYS  29  -8.850  -0.472  -1.112
  299   1HZ   LYS  29          2HZ       LYS  29 -10.790   0.990  -1.348
  300   2HZ   LYS  29          1HZ       LYS  29  -9.776   2.349  -1.246
  301   3HZ   LYS  29          3HZ       LYS  29  -9.631   1.282  -2.556
  302    QB   LYS  29           QB       LYS  29  -7.860   1.682   2.875
  303    QG   LYS  29           QG       LYS  29  -9.160   2.560   1.086
  304    QD   LYS  29           QD       LYS  29  -9.596   0.199   0.994
  305    QE   LYS  29           QE       LYS  29  -8.348   0.252  -0.998
  306    QZ   LYS  29           QZ       LYS  29 -10.066   1.540  -1.717
  307    H    ILE  30           H        ILE  30  -5.431   0.734   3.440
  308    HA   ILE  30           HA       ILE  30  -4.394   2.602   5.317
  309    HB   ILE  30           HB       ILE  30  -3.460  -0.185   4.523
  310   1HG1  ILE  30          2HG1      ILE  30  -5.301   0.707   6.764
  311   2HG1  ILE  30          1HG1      ILE  30  -5.863   0.047   5.229
  312   1HG2  ILE  30          2HG2      ILE  30  -2.883   1.517   6.963
  313   2HG2  ILE  30          1HG2      ILE  30  -2.632  -0.229   6.927
  314   3HG2  ILE  30          3HG2      ILE  30  -1.716   0.817   5.841
  315   1HD1  ILE  30          3HD1      ILE  30  -4.007  -1.833   5.981
  316   2HD1  ILE  30          2HD1      ILE  30  -4.665  -1.337   7.541
  317   3HD1  ILE  30          1HD1      ILE  30  -5.739  -1.961   6.290
  318    QG1  ILE  30           QG1      ILE  30  -5.582   0.377   5.997
  319    QG2  ILE  30           QG2      ILE  30  -2.410   0.702   6.577
  320    QD1  ILE  30           QD1      ILE  30  -4.804  -1.710   6.604
  321    H    PHE  31           H        PHE  31  -2.816   1.006   2.549
  322    HA   PHE  31           HA       PHE  31  -0.256   2.325   2.848
  323   1HB   PHE  31          2HB       PHE  31  -1.740   0.745   0.762
  324   2HB   PHE  31          1HB       PHE  31  -0.255   1.576   0.300
  325    HD1  PHE  31          1HD       PHE  31   1.562   1.367   2.428
  326    HD2  PHE  31          2HD       PHE  31  -1.383  -1.513   1.206
  327    HE1  PHE  31          1HE       PHE  31   2.905  -0.443   3.458
  328    HE2  PHE  31          2HE       PHE  31  -0.035  -3.325   2.240
  329   1HZ   PHE  31           HZ       PHE  31   2.110  -2.785   3.368
  330    QB   PHE  31           QB       PHE  31  -0.997   1.160   0.531
  331    QG   PHE  31           QD       PHE  31   0.089  -0.073   1.817
  332    QZ   PHE  31           QE       PHE  31   1.435  -1.884   2.849
  333    QZ   PHE  31           QR       PHE  31   1.032  -1.340   2.540
  334    H    LYS  32           H        LYS  32  -3.246   3.037   1.134
  335    HA   LYS  32           HA       LYS  32  -2.251   5.269  -0.388
  336   1HB   LYS  32          2HB       LYS  32  -4.917   4.094   0.317
  337   2HB   LYS  32          1HB       LYS  32  -4.832   5.642  -0.525
  338   1HG   LYS  32          2HG       LYS  32  -3.093   3.496  -1.611
  339   2HG   LYS  32          1HG       LYS  32  -4.828   3.247  -1.808
  340   1HD   LYS  32          2HD       LYS  32  -3.637   5.922  -2.478
  341   2HD   LYS  32          1HD       LYS  32  -3.507   4.597  -3.634
  342   1HE   LYS  32          2HE       LYS  32  -5.722   4.705  -4.174
  343   2HE   LYS  32          1HE       LYS  32  -6.211   4.926  -2.482
  344   1HZ   LYS  32          1HZ       LYS  32  -5.329   7.200  -2.595
  345   2HZ   LYS  32          3HZ       LYS  32  -4.991   6.987  -4.244
  346   3HZ   LYS  32          2HZ       LYS  32  -6.599   6.958  -3.698
  347    QB   LYS  32           QB       LYS  32  -4.875   4.868  -0.104
  348    QG   LYS  32           QG       LYS  32  -3.961   3.372  -1.710
  349    QD   LYS  32           QD       LYS  32  -3.572   5.259  -3.056
  350    QE   LYS  32           QE       LYS  32  -5.967   4.815  -3.328
  351    QZ   LYS  32           QZ       LYS  32  -5.640   7.048  -3.512
  352    H    GLN  33           H        GLN  33  -2.788   4.965   2.934
  353    HA   GLN  33           HA       GLN  33  -3.487   7.887   3.232
  354   1HB   GLN  33          2HB       GLN  33  -4.968   6.246   4.380
  355   2HB   GLN  33          1HB       GLN  33  -3.562   5.526   5.166
  356   1HG   GLN  33          2HG       GLN  33  -3.091   7.848   6.131
  357   2HG   GLN  33          1HG       GLN  33  -4.706   8.293   5.584
  358   1HE2  GLN  33          2HE2      GLN  33  -5.854   7.116   8.721
  359   2HE2  GLN  33          1HE2      GLN  33  -5.656   8.460   7.703
  360    QB   GLN  33           QB       GLN  33  -4.265   5.886   4.773
  361    QG   GLN  33           QG       GLN  33  -3.898   8.070   5.858
  362    QE2  GLN  33           QE2      GLN  33  -5.755   7.788   8.212
  363    H    TYR  34           H        TYR  34  -1.493   5.229   4.289
  364    HA   TYR  34           HA       TYR  34   0.540   6.424   5.820
  365   1HB   TYR  34          2HB       TYR  34   0.393   4.082   5.646
  366   2HB   TYR  34          1HB       TYR  34   0.130   4.139   3.899
  367    HD1  TYR  34          1HD       TYR  34   2.732   4.730   6.551
  368    HD2  TYR  34          2HD       TYR  34   1.958   3.763   2.438
  369    HE1  TYR  34          1HE       TYR  34   5.144   4.268   6.205
  370    HE2  TYR  34          2HE       TYR  34   4.369   3.302   2.092
  371    HH   TYR  34           HH       TYR  34   6.756   4.156   4.418
  372    QB   TYR  34           QB       TYR  34   0.261   4.110   4.772
  373    QG   TYR  34           QD       TYR  34   2.345   4.246   4.494
  374    QZ   TYR  34           QE       TYR  34   4.757   3.785   4.149
  375    QR   TYR  34           QR       TYR  34   3.551   4.016   4.321
  376    H    ALA  35           H        ALA  35  -0.018   6.386   2.339
  377    HA   ALA  35           HA       ALA  35   2.520   7.382   1.400
  378   1HB   ALA  35          1HB       ALA  35  -0.245   6.942   0.446
  379   2HB   ALA  35          3HB       ALA  35   0.584   8.281  -0.358
  380   3HB   ALA  35          2HB       ALA  35   1.286   6.658  -0.385
  381    QB   ALA  35           QB       ALA  35   0.542   7.293  -0.099
  382    H    ASN  36           H        ASN  36  -0.617   9.067   1.577
  383    HA   ASN  36           HA       ASN  36   0.279  11.728   1.310
  384   1HB   ASN  36          2HB       ASN  36  -2.043  10.480   2.805
  385   2HB   ASN  36          1HB       ASN  36  -1.915  12.213   2.484
  386   1HD2  ASN  36          2HD2      ASN  36  -3.013   9.682  -0.507
  387   2HD2  ASN  36          1HD2      ASN  36  -2.607   9.091   1.030
  388    QB   ASN  36           QB       ASN  36  -1.979  11.346   2.644
  389    QD2  ASN  36           QD2      ASN  36  -2.810   9.387   0.261
  390    H    ASP  37           H        ASP  37  -0.120   9.777   4.261
  391    HA   ASP  37           HA       ASP  37   0.303  11.670   6.272
  392   1HB   ASP  37          2HB       ASP  37  -0.104   9.088   6.281
  393   2HB   ASP  37          1HB       ASP  37   1.657   8.985   6.316
  394    QB   ASP  37           QB       ASP  37   0.777   9.037   6.299
  395    H    ASN  38           H        ASN  38   2.625  10.382   4.029
  396    HA   ASN  38           HA       ASN  38   4.833  11.793   5.407
  397   1HB   ASN  38          2HB       ASN  38   4.558   9.425   3.608
  398   2HB   ASN  38          1HB       ASN  38   6.080  10.315   3.576
  399   1HD2  ASN  38          2HD2      ASN  38   5.435   7.763   6.577
  400   2HD2  ASN  38          1HD2      ASN  38   4.535   7.777   5.138
  401    QB   ASN  38           QB       ASN  38   5.319   9.870   3.592
  402    QD2  ASN  38           QD2      ASN  38   4.985   7.770   5.857
  403    H    GLY  39           H        GLY  39   3.493  11.221   2.157
  404   1HA   GLY  39          2HA       GLY  39   3.120  13.519   0.954
  405   2HA   GLY  39          1HA       GLY  39   4.873  13.659   1.153
  406    QA   GLY  39           QA       GLY  39   3.996  13.589   1.054
  407    H    ILE  40           H        ILE  40   2.528  11.175   0.104
  408    HA   ILE  40           HA       ILE  40   4.431  10.396  -2.086
  409    HB   ILE  40           HB       ILE  40   2.389   8.974  -0.408
  410   1HG1  ILE  40          2HG1      ILE  40   4.987   9.747   0.224
  411   2HG1  ILE  40          1HG1      ILE  40   4.036   8.549   1.078
  412   1HG2  ILE  40          2HG2      ILE  40   2.528   8.029  -2.701
  413   2HG2  ILE  40          1HG2      ILE  40   4.248   7.734  -2.438
  414   3HG2  ILE  40          3HG2      ILE  40   3.047   6.896  -1.451
  415   1HD1  ILE  40          1HD1      ILE  40   5.695   7.824  -1.321
  416   2HD1  ILE  40          3HD1      ILE  40   6.392   7.872   0.305
  417   3HD1  ILE  40          2HD1      ILE  40   5.061   6.763  -0.058
  418    QG1  ILE  40           QG1      ILE  40   4.511   9.148   0.651
  419    QG2  ILE  40           QG2      ILE  40   3.275   7.553  -2.197
  420    QD1  ILE  40           QD1      ILE  40   5.716   7.486  -0.358
  421    H    ASP  41           H        ASP  41   3.544  10.448  -4.189
  422    HA   ASP  41           HA       ASP  41   0.679  10.204  -4.685
  423   1HB   ASP  41          2HB       ASP  41   1.075  12.528  -3.676
  424   2HB   ASP  41          1HB       ASP  41   1.911  12.921  -5.180
  425    QB   ASP  41           QB       ASP  41   1.493  12.725  -4.428
  426    H    GLY  42           H        GLY  42   1.009   8.869  -6.439
  427   1HA   GLY  42          2HA       GLY  42   1.933  10.047  -8.930
  428   2HA   GLY  42          1HA       GLY  42   3.033   8.805  -8.334
  429    QA   GLY  42           QA       GLY  42   2.483   9.426  -8.632
  430    H    GLU  43           H        GLU  43   2.529   6.696  -8.793
  431    HA   GLU  43           HA       GLU  43  -0.177   6.150  -9.983
  432   1HB   GLU  43          2HB       GLU  43   2.332   5.794 -10.997
  433   2HB   GLU  43          1HB       GLU  43   2.049   4.212 -10.272
  434   1HG   GLU  43          2HG       GLU  43   0.348   3.695 -11.726
  435   2HG   GLU  43          1HG       GLU  43  -0.184   5.372 -11.864
  436    QB   GLU  43           QB       GLU  43   2.190   5.003 -10.635
  437    QG   GLU  43           QG       GLU  43   0.082   4.533 -11.795
  438    H    TRP  44           H        TRP  44  -0.682   3.629  -9.681
  439    HA   TRP  44           HA       TRP  44   0.107   2.522  -7.031
  440   1HB   TRP  44          2HB       TRP  44  -2.559   3.750  -7.724
  441   2HB   TRP  44          1HB       TRP  44  -2.511   2.352  -6.643
  442    HD1  TRP  44           HD       TRP  44  -1.548   6.028  -6.827
  443    HE1  TRP  44          1HE       TRP  44  -0.847   6.805  -4.470
  444    HE3  TRP  44          3HE       TRP  44  -1.525   1.537  -4.421
  445    HZ2  TRP  44          2HZ       TRP  44  -0.342   5.663  -1.895
  446    HZ3  TRP  44          3HZ       TRP  44  -0.932   1.409  -2.008
  447    HH2  TRP  44           HH       TRP  44  -0.339   3.465  -0.751
  448    QB   TRP  44           QB       TRP  44  -2.535   3.051  -7.183
  449    H    THR  45           H        THR  45   0.229   0.333  -7.296
  450    HA   THR  45           HA       THR  45  -1.667  -1.024  -9.155
  451    HB   THR  45           HB       THR  45   0.078  -2.039 -10.421
  452    HG1  THR  45          1HG       THR  45   2.183  -2.031  -9.780
  453   1HG2  THR  45          3HG2      THR  45  -0.280   0.333 -11.005
  454   2HG2  THR  45          2HG2      THR  45   0.982   0.792  -9.860
  455   3HG2  THR  45          1HG2      THR  45   1.391  -0.157 -11.292
  456    QG2  THR  45           QG2      THR  45   0.698   0.323 -10.719
  457    H    TYR  46           H        TYR  46  -2.337  -2.928  -8.282
  458    HA   TYR  46           HA       TYR  46  -1.023  -3.859  -5.778
  459   1HB   TYR  46          2HB       TYR  46  -3.388  -3.501  -5.630
  460   2HB   TYR  46          1HB       TYR  46  -3.685  -4.383  -7.128
  461    HD1  TYR  46          1HD       TYR  46  -1.741  -5.081  -3.981
  462    HD2  TYR  46          2HD       TYR  46  -4.706  -6.452  -6.771
  463    HE1  TYR  46          1HE       TYR  46  -1.925  -7.220  -2.737
  464    HE2  TYR  46          2HE       TYR  46  -4.892  -8.586  -5.518
  465    HH   TYR  46           HH       TYR  46  -4.377  -9.229  -2.899
  466    QB   TYR  46           QB       TYR  46  -3.536  -3.942  -6.379
  467    QG   TYR  46           QD       TYR  46  -3.224  -5.766  -5.376
  468    QZ   TYR  46           QE       TYR  46  -3.408  -7.903  -4.128
  469    QR   TYR  46           QR       TYR  46  -3.316  -6.835  -4.752
  470    H    ASP  47           H        ASP  47   0.196  -5.706  -5.769
  471    HA   ASP  47           HA       ASP  47   0.346  -7.327  -8.271
  472   1HB   ASP  47          2HB       ASP  47   2.106  -7.081  -5.807
  473   2HB   ASP  47          1HB       ASP  47   2.458  -8.139  -7.171
  474    QB   ASP  47           QB       ASP  47   2.282  -7.610  -6.489
  475    H    ASP  48           H        ASP  48  -1.386  -8.769  -8.072
  476    HA   ASP  48           HA       ASP  48  -2.188 -10.031  -5.602
  477   1HB   ASP  48          2HB       ASP  48  -3.618  -9.624  -7.593
  478   2HB   ASP  48          1HB       ASP  48  -2.679 -10.820  -8.487
  479    QB   ASP  48           QB       ASP  48  -3.148 -10.222  -8.040
  480    H    ALA  49           H        ALA  49   0.576 -10.603  -7.439
  481    HA   ALA  49           HA       ALA  49   0.632 -13.530  -7.099
  482   1HB   ALA  49          1HB       ALA  49   1.610 -11.856  -8.972
  483   2HB   ALA  49          3HB       ALA  49   3.011 -11.912  -7.902
  484   3HB   ALA  49          2HB       ALA  49   2.380 -13.400  -8.608
  485    QB   ALA  49           QB       ALA  49   2.334 -12.390  -8.494
  486    H    THR  50           H        THR  50   1.866 -10.603  -5.590
  487    HA   THR  50           HA       THR  50   3.044 -12.276  -3.407
  488    HB   THR  50           HB       THR  50   4.954 -10.686  -3.390
  489    HG1  THR  50          1HG       THR  50   4.727  -8.897  -4.430
  490   1HG2  THR  50          3HG2      THR  50   4.737 -12.803  -4.919
  491   2HG2  THR  50          2HG2      THR  50   4.662 -11.623  -6.226
  492   3HG2  THR  50          1HG2      THR  50   6.078 -11.685  -5.176
  493    QG2  THR  50           QG2      THR  50   5.159 -12.037  -5.440
  494    H    LYS  51           H        LYS  51   0.579 -10.332  -4.027
  495    HA   LYS  51           HA       LYS  51  -0.637  -8.708  -2.863
  496   1HB   LYS  51          2HB       LYS  51   0.799 -10.428  -0.871
  497   2HB   LYS  51          1HB       LYS  51  -0.258  -9.130  -0.305
  498   1HG   LYS  51          2HG       LYS  51  -1.713 -10.991  -0.512
  499   2HG   LYS  51          1HG       LYS  51  -1.967 -10.057  -1.987
  500   1HD   LYS  51          2HD       LYS  51  -1.051 -11.617  -3.324
  501   2HD   LYS  51          1HD       LYS  51   0.199 -12.044  -2.153
  502   1HE   LYS  51          2HE       LYS  51  -1.176 -13.583  -1.043
  503   2HE   LYS  51          1HE       LYS  51  -2.667 -12.799  -1.602
  504   1HZ   LYS  51          1HZ       LYS  51  -1.944 -13.394  -3.908
  505   2HZ   LYS  51          3HZ       LYS  51  -0.735 -14.365  -3.222
  506   3HZ   LYS  51          2HZ       LYS  51  -2.371 -14.720  -2.936
  507    QB   LYS  51           QB       LYS  51   0.271  -9.779  -0.588
  508    QG   LYS  51           QG       LYS  51  -1.840 -10.524  -1.250
  509    QD   LYS  51           QD       LYS  51  -0.426 -11.831  -2.738
  510    QE   LYS  51           QE       LYS  51  -1.922 -13.191  -1.323
  511    QZ   LYS  51           QZ       LYS  51  -1.683 -14.160  -3.355
  512    H    THR  52           H        THR  52   1.733  -7.655  -3.954
  513    HA   THR  52           HA       THR  52   2.576  -5.692  -1.837
  514    HB   THR  52           HB       THR  52   4.106  -6.623  -4.287
  515    HG1  THR  52          1HG       THR  52   5.316  -7.786  -2.642
  516   1HG2  THR  52          3HG2      THR  52   4.643  -4.375  -3.229
  517   2HG2  THR  52          2HG2      THR  52   5.109  -5.263  -1.778
  518   3HG2  THR  52          1HG2      THR  52   5.983  -5.520  -3.288
  519    QG2  THR  52           QG2      THR  52   5.245  -5.053  -2.765
  520    H    PHE  53           H        PHE  53   1.546  -3.767  -2.269
  521    HA   PHE  53           HA       PHE  53   0.514  -3.093  -4.894
  522   1HB   PHE  53          2HB       PHE  53   0.810  -1.659  -2.249
  523   2HB   PHE  53          1HB       PHE  53   0.058  -0.888  -3.648
  524    HD1  PHE  53          2HD       PHE  53  -0.183  -3.817  -1.337
  525    HD2  PHE  53          1HD       PHE  53  -2.190  -1.427  -4.304
  526    HE1  PHE  53          2HE       PHE  53  -2.323  -4.966  -0.823
  527    HE2  PHE  53          1HE       PHE  53  -4.313  -2.582  -3.781
  528   1HZ   PHE  53           HZ       PHE  53  -4.381  -4.349  -2.051
  529    QB   PHE  53           QB       PHE  53   0.434  -1.274  -2.948
  530    QG   PHE  53           QD       PHE  53  -1.186  -2.622  -2.820
  531    QZ   PHE  53           QE       PHE  53  -3.318  -3.774  -2.302
  532    QZ   PHE  53           QR       PHE  53  -2.678  -3.428  -2.459
  533    H    THR  54           H        THR  54   1.195  -0.472  -5.477
  534    HA   THR  54           HA       THR  54   4.120  -0.131  -5.272
  535    HB   THR  54           HB       THR  54   2.934  -0.239  -8.032
  536    HG1  THR  54          1HG       THR  54   3.586  -2.479  -8.061
  537   1HG2  THR  54          2HG2      THR  54   5.605  -0.373  -6.730
  538   2HG2  THR  54          1HG2      THR  54   5.391  -1.301  -8.214
  539   3HG2  THR  54          3HG2      THR  54   5.116   0.441  -8.216
  540    QG2  THR  54           QG2      THR  54   5.371  -0.411  -7.720
  541    H    VAL  55           H        VAL  55   3.692   1.888  -4.383
  542    HA   VAL  55           HA       VAL  55   1.917   3.706  -5.910
  543    HB   VAL  55           HB       VAL  55   1.348   3.530  -3.602
  544   1HG1  VAL  55          2HG1      VAL  55   4.286   4.013  -3.063
  545   2HG1  VAL  55          1HG1      VAL  55   3.037   4.127  -1.821
  546   3HG1  VAL  55          3HG1      VAL  55   3.313   2.592  -2.644
  547   1HG2  VAL  55          3HG2      VAL  55   1.308   5.834  -4.518
  548   2HG2  VAL  55          2HG2      VAL  55   1.634   5.820  -2.784
  549   3HG2  VAL  55          1HG2      VAL  55   2.951   6.082  -3.928
  550    QG1  VAL  55           QG1      VAL  55   3.545   3.577  -2.509
  551    QG2  VAL  55           QG2      VAL  55   1.964   5.912  -3.743
  552    QQG  VAL  55           QQG      VAL  55   2.755   4.745  -3.126
  553    H    THR  56           H        THR  56   3.107   4.479  -7.575
  554    HA   THR  56           HA       THR  56   5.868   5.402  -7.304
  555    HB   THR  56           HB       THR  56   3.703   5.222  -9.383
  556    HG1  THR  56          1HG       THR  56   5.261   4.033 -10.404
  557   1HG2  THR  56          1HG2      THR  56   6.206   6.898  -9.736
  558   2HG2  THR  56          3HG2      THR  56   5.131   6.399 -11.043
  559   3HG2  THR  56          2HG2      THR  56   4.540   7.481  -9.781
  560    QG2  THR  56           QG2      THR  56   5.293   6.926 -10.187
  561    H    GLU  57           H        GLU  57   6.318   7.795  -7.965
  562    HA   GLU  57           HA       GLU  57   4.283   9.592  -6.677
  563   1HB   GLU  57          2HB       GLU  57   6.360   9.150  -5.359
  564   2HB   GLU  57          1HB       GLU  57   7.317   9.786  -6.698
  565   1HG   GLU  57          2HG       GLU  57   5.592  11.836  -6.387
  566   2HG   GLU  57          1HG       GLU  57   5.617  11.231  -4.731
  567    QB   GLU  57           QB       GLU  57   6.838   9.468  -6.029
  568    QG   GLU  57           QG       GLU  57   5.604  11.534  -5.559
   
  No H/Q in entry =         568
  Start of MODEL   40
    1   1H    MET   1          2HT       MET   1  -0.882 -16.225   4.729
    2   2H    MET   1          1HT       MET   1  -1.026 -16.829   6.310
    3   3H    MET   1          3HT       MET   1  -2.418 -16.450   5.418
    4    HA   MET   1           HA       MET   1  -2.037 -14.695   7.007
    5   1HB   MET   1          2HB       MET   1   0.707 -15.149   5.918
    6   2HB   MET   1          1HB       MET   1   0.305 -13.511   6.435
    7   1HG   MET   1          2HG       MET   1  -0.312 -15.865   8.209
    8   2HG   MET   1          1HG       MET   1   1.302 -15.152   8.196
    9   1HE   MET   1          1HE       MET   1  -0.405 -15.480  10.619
   10   2HE   MET   1          3HE       MET   1  -1.315 -14.090  11.225
   11   3HE   MET   1          2HE       MET   1  -1.998 -15.112   9.964
   12    QB   MET   1           QB       MET   1   0.506 -14.330   6.177
   13    QG   MET   1           QG       MET   1   0.495 -15.508   8.202
   14    QE   MET   1           QE       MET   1  -1.240 -14.894  10.603
   15    H    THR   2           H        THR   2  -1.801 -12.276   6.346
   16    HA   THR   2           HA       THR   2  -2.260 -11.897   3.411
   17    HB   THR   2           HB       THR   2  -3.935 -10.786   5.688
   18    HG1  THR   2          1HG       THR   2  -4.405 -12.861   3.816
   19   1HG2  THR   2          3HG2      THR   2  -3.793 -10.288   2.772
   20   2HG2  THR   2          2HG2      THR   2  -5.415 -10.540   3.415
   21   3HG2  THR   2          1HG2      THR   2  -4.400  -9.253   4.065
   22    QG2  THR   2           QG2      THR   2  -4.536 -10.027   3.417
   23    H    THR   3           H        THR   3   0.140 -11.289   4.841
   24    HA   THR   3           HA       THR   3   0.202  -8.512   5.696
   25    HB   THR   3           HB       THR   3   2.422 -10.354   4.746
   26    HG1  THR   3          1HG       THR   3   1.800 -11.437   6.432
   27   1HG2  THR   3          2HG2      THR   3   2.614  -7.704   5.258
   28   2HG2  THR   3          1HG2      THR   3   2.818  -8.340   6.890
   29   3HG2  THR   3          3HG2      THR   3   3.913  -8.847   5.604
   30    QG2  THR   3           QG2      THR   3   3.115  -8.297   5.917
   31    H    PHE   4           H        PHE   4  -0.581  -7.156   4.038
   32    HA   PHE   4           HA       PHE   4   0.264  -7.411   1.260
   33   1HB   PHE   4          2HB       PHE   4  -1.247  -5.401   2.933
   34   2HB   PHE   4          1HB       PHE   4  -0.877  -5.077   1.238
   35    HD1  PHE   4          2HD       PHE   4  -1.408  -7.094  -0.414
   36    HD2  PHE   4          1HD       PHE   4  -3.226  -6.519   3.432
   37    HE1  PHE   4          2HE       PHE   4  -3.310  -8.528  -1.099
   38    HE2  PHE   4          1HE       PHE   4  -5.125  -7.954   2.747
   39   1HZ   PHE   4           HZ       PHE   4  -5.168  -8.961   0.482
   40    QB   PHE   4           QB       PHE   4  -1.062  -5.239   2.085
   41    QG   PHE   4           QD       PHE   4  -2.317  -6.806   1.509
   42    QZ   PHE   4           QE       PHE   4  -4.217  -8.241   0.824
   43    QZ   PHE   4           QR       PHE   4  -3.647  -7.811   1.030
   44    H    LYS   5           H        LYS   5   2.210  -6.731   0.494
   45    HA   LYS   5           HA       LYS   5   3.885  -4.904   2.120
   46   1HB   LYS   5          2HB       LYS   5   4.265  -6.667  -0.306
   47   2HB   LYS   5          1HB       LYS   5   5.515  -5.537   0.211
   48   1HG   LYS   5          2HG       LYS   5   6.195  -7.324   1.470
   49   2HG   LYS   5          1HG       LYS   5   4.971  -6.711   2.583
   50   1HD   LYS   5          2HD       LYS   5   3.301  -8.207   1.373
   51   2HD   LYS   5          1HD       LYS   5   4.684  -8.955   0.574
   52   1HE   LYS   5          2HE       LYS   5   4.716  -8.694   3.569
   53   2HE   LYS   5          1HE       LYS   5   3.778 -10.002   2.820
   54   1HZ   LYS   5          3HZ       LYS   5   5.762 -10.530   1.473
   55   2HZ   LYS   5          2HZ       LYS   5   6.647  -9.382   2.358
   56   3HZ   LYS   5          1HZ       LYS   5   6.020 -10.758   3.133
   57    QB   LYS   5           QB       LYS   5   4.890  -6.102  -0.047
   58    QG   LYS   5           QG       LYS   5   5.583  -7.018   2.027
   59    QD   LYS   5           QD       LYS   5   3.992  -8.581   0.973
   60    QE   LYS   5           QE       LYS   5   4.247  -9.348   3.195
   61    QZ   LYS   5           QZ       LYS   5   6.143 -10.223   2.321
   62    H    LEU   6           H        LEU   6   5.096  -3.168   0.809
   63    HA   LEU   6           HA       LEU   6   3.561  -2.093  -1.491
   64   1HB   LEU   6          2HB       LEU   6   2.439  -1.242   0.528
   65   2HB   LEU   6          1HB       LEU   6   3.978  -0.657   1.153
   66    HG   LEU   6           HG       LEU   6   4.072   0.654  -1.141
   67   1HD1  LEU   6          2HD1      LEU   6   1.171  -0.097  -0.820
   68   2HD1  LEU   6          1HD1      LEU   6   1.641   1.389  -1.645
   69   3HD1  LEU   6          3HD1      LEU   6   2.174  -0.172  -2.269
   70   1HD2  LEU   6          2HD2      LEU   6   3.495   1.346   1.439
   71   2HD2  LEU   6          1HD2      LEU   6   3.594   2.499   0.109
   72   3HD2  LEU   6          3HD2      LEU   6   2.026   1.871   0.617
   73    QB   LEU   6           QB       LEU   6   3.209  -0.949   0.840
   74    QD1  LEU   6           QD1      LEU   6   1.662   0.374  -1.578
   75    QD2  LEU   6           QD2      LEU   6   3.038   1.905   0.722
   76    QQD  LEU   6           QQD      LEU   6   2.350   1.139  -0.428
   77    H    ILE   7           H        ILE   7   5.312  -2.033  -2.866
   78    HA   ILE   7           HA       ILE   7   7.934  -1.011  -1.933
   79    HB   ILE   7           HB       ILE   7   6.869  -2.128  -4.556
   80   1HG1  ILE   7          2HG1      ILE   7   8.890  -3.387  -2.702
   81   2HG1  ILE   7          1HG1      ILE   7   7.160  -3.597  -2.433
   82   1HG2  ILE   7          3HG2      ILE   7   9.625  -1.180  -3.747
   83   2HG2  ILE   7          2HG2      ILE   7   9.385  -2.340  -5.054
   84   3HG2  ILE   7          1HG2      ILE   7   8.688  -0.723  -5.170
   85   1HD1  ILE   7          3HD1      ILE   7   7.164  -4.218  -5.009
   86   2HD1  ILE   7          2HD1      ILE   7   8.859  -4.587  -4.692
   87   3HD1  ILE   7          1HD1      ILE   7   7.592  -5.425  -3.796
   88    QG1  ILE   7           QG1      ILE   7   8.025  -3.492  -2.567
   89    QG2  ILE   7           QG2      ILE   7   9.233  -1.414  -4.657
   90    QD1  ILE   7           QD1      ILE   7   7.872  -4.743  -4.499
   91    H    ILE   8           H        ILE   8   8.332   1.191  -2.102
   92    HA   ILE   8           HA       ILE   8   6.488   2.760  -3.804
   93    HB   ILE   8           HB       ILE   8   8.549   3.668  -1.762
   94   1HG1  ILE   8          2HG1      ILE   8   6.497   4.245  -0.411
   95   2HG1  ILE   8          1HG1      ILE   8   5.525   3.406  -1.605
   96   1HG2  ILE   8          2HG2      ILE   8   7.881   5.276  -3.646
   97   2HG2  ILE   8          1HG2      ILE   8   6.246   5.225  -2.974
   98   3HG2  ILE   8          3HG2      ILE   8   7.584   5.855  -2.012
   99   1HD1  ILE   8          3HD1      ILE   8   7.805   1.960  -0.344
  100   2HD1  ILE   8          2HD1      ILE   8   6.304   2.155   0.564
  101   3HD1  ILE   8          1HD1      ILE   8   6.295   1.336  -0.999
  102    QG1  ILE   8           QG1      ILE   8   6.011   3.826  -1.008
  103    QG2  ILE   8           QG2      ILE   8   7.237   5.452  -2.877
  104    QD1  ILE   8           QD1      ILE   8   6.801   1.817  -0.260
  105    H    ASN   9           H        ASN   9   7.183   3.383  -5.830
  106    HA   ASN   9           HA       ASN   9  10.004   3.023  -6.590
  107   1HB   ASN   9          2HB       ASN   9   7.919   4.353  -8.316
  108   2HB   ASN   9          1HB       ASN   9   9.225   3.288  -8.802
  109   1HD2  ASN   9          2HD2      ASN   9   5.725   1.612  -8.654
  110   2HD2  ASN   9          1HD2      ASN   9   6.111   3.199  -9.126
  111    QB   ASN   9           QB       ASN   9   8.572   3.821  -8.559
  112    QD2  ASN   9           QD2      ASN   9   5.918   2.405  -8.890
  113    H    GLY  10           H        GLY  10  10.183   5.234  -8.431
  114   1HA   GLY  10          2HA       GLY  10  10.990   7.438  -8.459
  115   2HA   GLY  10          1HA       GLY  10   9.639   7.790  -7.382
  116    QA   GLY  10           QA       GLY  10  10.314   7.614  -7.921
  117    H    LYS  11           H        LYS  11  10.532   9.026  -5.787
  118    HA   LYS  11           HA       LYS  11  12.691   7.797  -4.143
  119   1HB   LYS  11          2HB       LYS  11  13.901   9.977  -4.180
  120   2HB   LYS  11          1HB       LYS  11  13.779   9.261  -5.787
  121   1HG   LYS  11          2HG       LYS  11  11.851  10.707  -6.299
  122   2HG   LYS  11          1HG       LYS  11  11.943  11.412  -4.683
  123   1HD   LYS  11          2HD       LYS  11  13.165  12.976  -5.885
  124   2HD   LYS  11          1HD       LYS  11  14.455  11.881  -5.390
  125   1HE   LYS  11          2HE       LYS  11  14.780  11.091  -7.524
  126   2HE   LYS  11          1HE       LYS  11  13.055  11.193  -7.929
  127   1HZ   LYS  11          2HZ       LYS  11  13.247  13.613  -7.926
  128   2HZ   LYS  11          1HZ       LYS  11  14.911  13.493  -7.606
  129   3HZ   LYS  11          3HZ       LYS  11  14.288  12.922  -9.077
  130    QB   LYS  11           QB       LYS  11  13.840   9.619  -4.984
  131    QG   LYS  11           QG       LYS  11  11.897  11.060  -5.491
  132    QD   LYS  11           QD       LYS  11  13.810  12.428  -5.638
  133    QE   LYS  11           QE       LYS  11  13.918  11.142  -7.727
  134    QZ   LYS  11           QZ       LYS  11  14.149  13.343  -8.203
  135    H    THR  12           H        THR  12   9.710   8.441  -3.882
  136    HA   THR  12           HA       THR  12   9.337  10.633  -2.084
  137    HB   THR  12           HB       THR  12   7.563   8.377  -1.587
  138    HG1  THR  12          1HG       THR  12   7.875   9.167  -4.289
  139   1HG2  THR  12          3HG2      THR  12   7.405  11.174  -2.640
  140   2HG2  THR  12          2HG2      THR  12   6.025  10.100  -2.869
  141   3HG2  THR  12          1HG2      THR  12   6.604  10.456  -1.242
  142    QG2  THR  12           QG2      THR  12   6.678  10.577  -2.250
  143    H    LEU  13           H        LEU  13   9.108   7.215  -1.140
  144    HA   LEU  13           HA       LEU  13  10.705   7.872   1.304
  145   1HB   LEU  13          2HB       LEU  13   9.087   6.536   2.599
  146   2HB   LEU  13          1HB       LEU  13   8.266   7.841   1.741
  147    HG   LEU  13           HG       LEU  13   7.898   6.084  -0.121
  148   1HD1  LEU  13          3HD1      LEU  13   9.201   4.484   1.912
  149   2HD1  LEU  13          2HD1      LEU  13   7.567   3.878   1.642
  150   3HD1  LEU  13          1HD1      LEU  13   8.694   4.004   0.294
  151   1HD2  LEU  13          1HD2      LEU  13   6.272   7.113   1.649
  152   2HD2  LEU  13          3HD2      LEU  13   5.763   5.677   0.761
  153   3HD2  LEU  13          2HD2      LEU  13   6.370   5.526   2.408
  154    QB   LEU  13           QB       LEU  13   8.676   7.189   2.170
  155    QD1  LEU  13           QD1      LEU  13   8.488   4.122   1.283
  156    QD2  LEU  13           QD2      LEU  13   6.135   6.106   1.606
  157    QQD  LEU  13           QQD      LEU  13   7.311   5.114   1.444
  158    H    LYS  14           H        LYS  14   9.835   5.473  -1.137
  159    HA   LYS  14           HA       LYS  14  10.839   3.437  -1.752
  160   1HB   LYS  14          2HB       LYS  14  13.005   5.131  -0.537
  161   2HB   LYS  14          1HB       LYS  14  13.380   3.486  -1.052
  162   1HG   LYS  14          2HG       LYS  14  11.894   5.321  -2.910
  163   2HG   LYS  14          1HG       LYS  14  13.646   5.460  -2.762
  164   1HD   LYS  14          2HD       LYS  14  12.565   2.710  -3.093
  165   2HD   LYS  14          1HD       LYS  14  12.466   3.767  -4.502
  166   1HE   LYS  14          2HE       LYS  14  15.073   3.931  -3.149
  167   2HE   LYS  14          1HE       LYS  14  14.710   2.312  -3.778
  168   1HZ   LYS  14          3HZ       LYS  14  13.983   3.410  -5.867
  169   2HZ   LYS  14          2HZ       LYS  14  14.579   4.881  -5.263
  170   3HZ   LYS  14          1HZ       LYS  14  15.639   3.586  -5.551
  171    QB   LYS  14           QB       LYS  14  13.193   4.308  -0.794
  172    QG   LYS  14           QG       LYS  14  12.770   5.390  -2.836
  173    QD   LYS  14           QD       LYS  14  12.515   3.239  -3.798
  174    QE   LYS  14           QE       LYS  14  14.891   3.122  -3.463
  175    QZ   LYS  14           QZ       LYS  14  14.734   3.959  -5.560
  176    H    GLY  15           H        GLY  15   9.784   1.857  -0.523
  177   1HA   GLY  15          2HA       GLY  15  11.276   0.477   1.486
  178   2HA   GLY  15          1HA       GLY  15  10.041   1.456   2.276
  179    QA   GLY  15           QA       GLY  15  10.658   0.966   1.881
  180    H    GLU  16           H        GLU  16   9.629  -1.046   2.770
  181    HA   GLU  16           HA       GLU  16   7.644  -2.085   0.767
  182   1HB   GLU  16          2HB       GLU  16   9.478  -3.420   2.779
  183   2HB   GLU  16          1HB       GLU  16   8.212  -4.288   1.909
  184   1HG   GLU  16          2HG       GLU  16   9.263  -4.015  -0.163
  185   2HG   GLU  16          1HG       GLU  16  10.201  -2.625   0.386
  186    QB   GLU  16           QB       GLU  16   8.845  -3.854   2.344
  187    QG   GLU  16           QG       GLU  16   9.732  -3.320   0.111
  188    H    ILE  17           H        ILE  17   8.351  -1.570   4.207
  189    HA   ILE  17           HA       ILE  17   6.958  -1.254   6.064
  190    HB   ILE  17           HB       ILE  17   4.776  -1.028   3.969
  191   1HG1  ILE  17          2HG1      ILE  17   5.641   1.514   4.948
  192   2HG1  ILE  17          1HG1      ILE  17   7.090   0.628   4.478
  193   1HG2  ILE  17          3HG2      ILE  17   4.124  -1.301   6.407
  194   2HG2  ILE  17          2HG2      ILE  17   4.946   0.229   6.712
  195   3HG2  ILE  17          1HG2      ILE  17   3.552   0.177   5.634
  196   1HD1  ILE  17          1HD1      ILE  17   4.834   0.422   2.580
  197   2HD1  ILE  17          3HD1      ILE  17   5.537   2.030   2.731
  198   3HD1  ILE  17          2HD1      ILE  17   6.551   0.664   2.265
  199    QG1  ILE  17           QG1      ILE  17   6.366   1.071   4.713
  200    QG2  ILE  17           QG2      ILE  17   4.207  -0.298   6.251
  201    QD1  ILE  17           QD1      ILE  17   5.640   1.039   2.525
  202    H    THR  18           H        THR  18   5.035  -3.225   3.742
  203    HA   THR  18           HA       THR  18   3.936  -5.280   4.030
  204    HB   THR  18           HB       THR  18   5.201  -6.973   5.070
  205    HG1  THR  18          1HG       THR  18   5.742  -6.663   7.040
  206   1HG2  THR  18          3HG2      THR  18   6.506  -5.216   3.436
  207   2HG2  THR  18          2HG2      THR  18   7.571  -5.234   4.842
  208   3HG2  THR  18          1HG2      THR  18   7.189  -6.739   4.007
  209    QG2  THR  18           QG2      THR  18   7.089  -5.730   4.095
  210    H    ILE  19           H        ILE  19   1.931  -4.976   4.857
  211    HA   ILE  19           HA       ILE  19   1.649  -4.961   7.837
  212    HB   ILE  19           HB       ILE  19  -0.044  -3.165   7.609
  213   1HG1  ILE  19          2HG1      ILE  19   0.360  -2.017   5.143
  214   2HG1  ILE  19          1HG1      ILE  19   0.411  -3.732   4.740
  215   1HG2  ILE  19          3HG2      ILE  19   2.624  -2.864   7.667
  216   2HG2  ILE  19          2HG2      ILE  19   2.298  -2.068   6.127
  217   3HG2  ILE  19          1HG2      ILE  19   1.525  -1.486   7.602
  218   1HD1  ILE  19          3HD1      ILE  19  -1.738  -3.860   6.254
  219   2HD1  ILE  19          2HD1      ILE  19  -1.841  -2.131   5.918
  220   3HD1  ILE  19          1HD1      ILE  19  -1.874  -3.291   4.590
  221    QG1  ILE  19           QG1      ILE  19   0.386  -2.874   4.942
  222    QG2  ILE  19           QG2      ILE  19   2.149  -2.139   7.132
  223    QD1  ILE  19           QD1      ILE  19  -1.818  -3.094   5.587
  224    H    GLU  20           H        GLU  20  -0.032  -6.240   8.559
  225    HA   GLU  20           HA       GLU  20  -1.463  -7.908   6.600
  226   1HB   GLU  20          2HB       GLU  20  -0.392  -8.596   8.836
  227   2HB   GLU  20          1HB       GLU  20  -1.772  -7.813   9.609
  228   1HG   GLU  20          2HG       GLU  20  -3.116  -9.303   7.836
  229   2HG   GLU  20          1HG       GLU  20  -1.677 -10.312   7.982
  230    QB   GLU  20           QB       GLU  20  -1.082  -8.204   9.223
  231    QG   GLU  20           QG       GLU  20  -2.397  -9.807   7.909
  232    H    ALA  21           H        ALA  21  -3.800  -8.004   6.478
  233    HA   ALA  21           HA       ALA  21  -5.444  -6.057   7.929
  234   1HB   ALA  21          2HB       ALA  21  -4.243  -4.745   6.161
  235   2HB   ALA  21          1HB       ALA  21  -4.995  -5.774   4.942
  236   3HB   ALA  21          3HB       ALA  21  -5.994  -4.733   5.954
  237    QB   ALA  21           QB       ALA  21  -5.077  -5.084   5.686
  238    H    VAL  22           H        VAL  22  -7.759  -6.184   7.103
  239    HA   VAL  22           HA       VAL  22  -8.739  -8.811   7.004
  240    HB   VAL  22           HB       VAL  22 -10.033  -6.801   7.599
  241   1HG1  VAL  22          2HG1      VAL  22  -8.924  -5.467   5.656
  242   2HG1  VAL  22          1HG1      VAL  22 -10.224  -6.127   4.665
  243   3HG1  VAL  22          3HG1      VAL  22 -10.605  -5.113   6.056
  244   1HG2  VAL  22          3HG2      VAL  22 -11.042  -8.973   6.438
  245   2HG2  VAL  22          2HG2      VAL  22 -12.065  -7.582   6.796
  246   3HG2  VAL  22          1HG2      VAL  22 -11.445  -7.824   5.162
  247    QG1  VAL  22           QG1      VAL  22  -9.918  -5.569   5.459
  248    QG2  VAL  22           QG2      VAL  22 -11.517  -8.126   6.132
  249    QQG  VAL  22           QQG      VAL  22 -10.717  -6.848   5.796
  250    H    ASP  23           H        ASP  23  -7.981  -6.612   4.322
  251    HA   ASP  23           HA       ASP  23  -7.641  -8.858   2.467
  252   1HB   ASP  23          2HB       ASP  23 -10.085  -7.167   2.620
  253   2HB   ASP  23          1HB       ASP  23  -9.454  -7.469   1.000
  254    QB   ASP  23           QB       ASP  23  -9.769  -7.318   1.810
  255    H    ALA  24           H        ALA  24  -7.192  -7.818   0.164
  256    HA   ALA  24           HA       ALA  24  -5.047  -5.947   0.443
  257   1HB   ALA  24          2HB       ALA  24  -5.801  -7.677  -1.438
  258   2HB   ALA  24          1HB       ALA  24  -6.560  -6.243  -2.130
  259   3HB   ALA  24          3HB       ALA  24  -4.818  -6.269  -1.848
  260    QB   ALA  24           QB       ALA  24  -5.726  -6.730  -1.805
  261    H    ALA  25           H        ALA  25  -8.496  -5.531  -0.141
  262    HA   ALA  25           HA       ALA  25  -8.584  -2.891  -1.135
  263   1HB   ALA  25          2HB       ALA  25 -10.333  -4.789   0.294
  264   2HB   ALA  25          1HB       ALA  25 -10.778  -3.096   0.507
  265   3HB   ALA  25          3HB       ALA  25 -10.684  -3.787  -1.113
  266    QB   ALA  25           QB       ALA  25 -10.598  -3.891  -0.104
  267    H    GLU  26           H        GLU  26  -8.392  -4.079   2.212
  268    HA   GLU  26           HA       GLU  26  -8.444  -1.426   3.419
  269   1HB   GLU  26          2HB       GLU  26  -8.516  -4.193   4.192
  270   2HB   GLU  26          1HB       GLU  26  -7.212  -3.417   5.089
  271   1HG   GLU  26          2HG       GLU  26  -9.143  -1.523   5.332
  272   2HG   GLU  26          1HG       GLU  26 -10.141  -2.975   5.249
  273    QB   GLU  26           QB       GLU  26  -7.864  -3.805   4.640
  274    QG   GLU  26           QG       GLU  26  -9.642  -2.249   5.291
  275    H    ALA  27           H        ALA  27  -5.898  -3.839   2.709
  276    HA   ALA  27           HA       ALA  27  -3.645  -2.460   3.736
  277   1HB   ALA  27          3HB       ALA  27  -4.231  -4.517   1.687
  278   2HB   ALA  27          2HB       ALA  27  -2.690  -3.679   1.478
  279   3HB   ALA  27          1HB       ALA  27  -3.037  -4.533   2.984
  280    QB   ALA  27           QB       ALA  27  -3.320  -4.243   2.050
  281    H    GLU  28           H        GLU  28  -5.051  -2.291   0.441
  282    HA   GLU  28           HA       GLU  28  -3.284  -0.325  -0.627
  283   1HB   GLU  28          2HB       GLU  28  -5.130  -1.815  -1.712
  284   2HB   GLU  28          1HB       GLU  28  -6.227  -0.506  -1.276
  285   1HG   GLU  28          2HG       GLU  28  -4.534   1.057  -2.441
  286   2HG   GLU  28          1HG       GLU  28  -3.859  -0.406  -3.157
  287    QB   GLU  28           QB       GLU  28  -5.679  -1.160  -1.494
  288    QG   GLU  28           QG       GLU  28  -4.196   0.325  -2.799
  289    H    LYS  29           H        LYS  29  -6.227  -0.036   1.342
  290    HA   LYS  29           HA       LYS  29  -6.440   2.856   1.152
  291   1HB   LYS  29          2HB       LYS  29  -7.438   0.801   3.157
  292   2HB   LYS  29          1HB       LYS  29  -7.962   2.485   3.123
  293   1HG   LYS  29          2HG       LYS  29  -8.122   1.030   0.540
  294   2HG   LYS  29          1HG       LYS  29  -9.250   0.505   1.790
  295   1HD   LYS  29          2HD       LYS  29 -10.530   2.222   1.002
  296   2HD   LYS  29          1HD       LYS  29  -9.484   3.209   2.022
  297   1HE   LYS  29          2HE       LYS  29  -8.224   3.985   0.210
  298   2HE   LYS  29          1HE       LYS  29  -8.625   2.579  -0.796
  299   1HZ   LYS  29          2HZ       LYS  29 -10.974   3.327  -0.719
  300   2HZ   LYS  29          1HZ       LYS  29 -10.462   4.755   0.047
  301   3HZ   LYS  29          3HZ       LYS  29  -9.950   4.412  -1.533
  302    QB   LYS  29           QB       LYS  29  -7.700   1.643   3.140
  303    QG   LYS  29           QG       LYS  29  -8.686   0.768   1.165
  304    QD   LYS  29           QD       LYS  29 -10.007   2.716   1.512
  305    QE   LYS  29           QE       LYS  29  -8.424   3.282  -0.293
  306    QZ   LYS  29           QZ       LYS  29 -10.462   4.165  -0.735
  307    H    ILE  30           H        ILE  30  -5.195   0.643   3.683
  308    HA   ILE  30           HA       ILE  30  -4.173   2.625   5.471
  309    HB   ILE  30           HB       ILE  30  -3.188  -0.184   4.831
  310   1HG1  ILE  30          2HG1      ILE  30  -4.946   0.534   7.156
  311   2HG1  ILE  30          1HG1      ILE  30  -5.678   0.315   5.566
  312   1HG2  ILE  30          1HG2      ILE  30  -1.832   1.590   6.333
  313   2HG2  ILE  30          3HG2      ILE  30  -2.969   1.017   7.553
  314   3HG2  ILE  30          2HG2      ILE  30  -1.900  -0.124   6.739
  315   1HD1  ILE  30          1HD1      ILE  30  -3.729  -1.767   6.407
  316   2HD1  ILE  30          3HD1      ILE  30  -5.262  -1.735   7.281
  317   3HD1  ILE  30          2HD1      ILE  30  -5.251  -1.936   5.529
  318    QG1  ILE  30           QG1      ILE  30  -5.312   0.425   6.361
  319    QG2  ILE  30           QG2      ILE  30  -2.234   0.828   6.875
  320    QD1  ILE  30           QD1      ILE  30  -4.747  -1.813   6.406
  321    H    PHE  31           H        PHE  31  -2.818   1.055   2.611
  322    HA   PHE  31           HA       PHE  31  -0.178   2.268   2.841
  323   1HB   PHE  31          2HB       PHE  31  -1.754   0.661   0.848
  324   2HB   PHE  31          1HB       PHE  31  -0.276   1.457   0.311
  325    HD1  PHE  31          2HD       PHE  31   1.576   1.285   2.458
  326    HD2  PHE  31          1HD       PHE  31  -1.372  -1.601   1.260
  327    HE1  PHE  31          2HE       PHE  31   2.929  -0.518   3.483
  328    HE2  PHE  31          1HE       PHE  31  -0.014  -3.407   2.289
  329   1HZ   PHE  31           HZ       PHE  31   2.136  -2.862   3.401
  330    QB   PHE  31           QB       PHE  31  -1.015   1.059   0.580
  331    QG   PHE  31           QD       PHE  31   0.102  -0.158   1.859
  332    QZ   PHE  31           QE       PHE  31   1.457  -1.962   2.886
  333    QZ   PHE  31           QR       PHE  31   1.051  -1.421   2.578
  334    H    LYS  32           H        LYS  32  -3.163   2.973   1.037
  335    HA   LYS  32           HA       LYS  32  -2.053   5.232  -0.381
  336   1HB   LYS  32          2HB       LYS  32  -4.786   4.060   0.039
  337   2HB   LYS  32          1HB       LYS  32  -4.573   5.576  -0.833
  338   1HG   LYS  32          2HG       LYS  32  -3.063   4.508  -2.421
  339   2HG   LYS  32          1HG       LYS  32  -3.155   2.988  -1.533
  340   1HD   LYS  32          2HD       LYS  32  -4.670   2.873  -3.432
  341   2HD   LYS  32          1HD       LYS  32  -5.627   2.957  -1.954
  342   1HE   LYS  32          2HE       LYS  32  -4.970   5.608  -3.065
  343   2HE   LYS  32          1HE       LYS  32  -5.986   4.615  -4.128
  344   1HZ   LYS  32          2HZ       LYS  32  -6.469   5.044  -1.225
  345   2HZ   LYS  32          1HZ       LYS  32  -7.306   5.836  -2.474
  346   3HZ   LYS  32          3HZ       LYS  32  -7.454   4.157  -2.287
  347    QB   LYS  32           QB       LYS  32  -4.679   4.818  -0.397
  348    QG   LYS  32           QG       LYS  32  -3.109   3.748  -1.977
  349    QD   LYS  32           QD       LYS  32  -5.149   2.915  -2.693
  350    QE   LYS  32           QE       LYS  32  -5.478   5.112  -3.596
  351    QZ   LYS  32           QZ       LYS  32  -7.076   5.012  -1.996
  352    H    GLN  33           H        GLN  33  -2.710   4.929   2.864
  353    HA   GLN  33           HA       GLN  33  -3.684   7.769   3.134
  354   1HB   GLN  33          2HB       GLN  33  -4.997   6.002   4.296
  355   2HB   GLN  33          1HB       GLN  33  -3.527   5.426   5.082
  356   1HG   GLN  33          2HG       GLN  33  -3.301   7.853   5.969
  357   2HG   GLN  33          1HG       GLN  33  -5.001   8.016   5.528
  358   1HE2  GLN  33          2HE2      GLN  33  -4.250   6.416   9.038
  359   2HE2  GLN  33          1HE2      GLN  33  -3.271   7.527   8.208
  360    QB   GLN  33           QB       GLN  33  -4.262   5.714   4.689
  361    QG   GLN  33           QG       GLN  33  -4.151   7.935   5.749
  362    QE2  GLN  33           QE2      GLN  33  -3.761   6.972   8.623
  363    H    TYR  34           H        TYR  34  -1.439   5.324   4.190
  364    HA   TYR  34           HA       TYR  34   0.475   6.750   5.694
  365   1HB   TYR  34          2HB       TYR  34   0.461   4.385   5.604
  366   2HB   TYR  34          1HB       TYR  34   0.289   4.370   3.845
  367    HD1  TYR  34          2HD       TYR  34   2.663   5.008   6.662
  368    HD2  TYR  34          1HD       TYR  34   2.247   4.334   2.441
  369    HE1  TYR  34          2HE       TYR  34   5.119   4.734   6.464
  370    HE2  TYR  34          1HE       TYR  34   4.703   4.059   2.242
  371    HH   TYR  34           HH       TYR  34   6.740   3.708   4.981
  372    QB   TYR  34           QB       TYR  34   0.375   4.378   4.724
  373    QG   TYR  34           QD       TYR  34   2.455   4.671   4.551
  374    QZ   TYR  34           QE       TYR  34   4.911   4.397   4.353
  375    QR   TYR  34           QR       TYR  34   3.683   4.534   4.452
  376    H    ALA  35           H        ALA  35  -0.038   6.437   2.205
  377    HA   ALA  35           HA       ALA  35   2.400   7.645   1.240
  378   1HB   ALA  35          2HB       ALA  35  -0.268   6.834   0.264
  379   2HB   ALA  35          1HB       ALA  35   0.403   8.229  -0.594
  380   3HB   ALA  35          3HB       ALA  35   1.301   6.704  -0.537
  381    QB   ALA  35           QB       ALA  35   0.479   7.256  -0.289
  382    H    ASN  36           H        ASN  36  -0.912   8.984   1.331
  383    HA   ASN  36           HA       ASN  36  -0.272  11.714   0.910
  384   1HB   ASN  36          2HB       ASN  36  -2.515  10.297   2.369
  385   2HB   ASN  36          1HB       ASN  36  -2.543  12.027   2.017
  386   1HD2  ASN  36          2HD2      ASN  36  -3.212   9.343  -0.982
  387   2HD2  ASN  36          1HD2      ASN  36  -2.757   8.813   0.565
  388    QB   ASN  36           QB       ASN  36  -2.529  11.162   2.193
  389    QD2  ASN  36           QD2      ASN  36  -2.984   9.078  -0.209
  390    H    ASP  37           H        ASP  37  -0.594   9.882   3.949
  391    HA   ASP  37           HA       ASP  37  -0.444  11.896   5.874
  392   1HB   ASP  37          2HB       ASP  37   0.447   9.069   5.625
  393   2HB   ASP  37          1HB       ASP  37   1.066   9.973   7.007
  394    QB   ASP  37           QB       ASP  37   0.757   9.521   6.316
  395    H    ASN  38           H        ASN  38   2.090  10.755   3.788
  396    HA   ASN  38           HA       ASN  38   4.080  12.474   5.140
  397   1HB   ASN  38          2HB       ASN  38   4.074   9.943   3.621
  398   2HB   ASN  38          1HB       ASN  38   5.423  11.017   3.251
  399   1HD2  ASN  38          2HD2      ASN  38   7.092   9.794   6.100
  400   2HD2  ASN  38          1HD2      ASN  38   7.144  10.117   4.435
  401    QB   ASN  38           QB       ASN  38   4.749  10.480   3.436
  402    QD2  ASN  38           QD2      ASN  38   7.118   9.956   5.268
  403    H    GLY  39           H        GLY  39   2.898  11.598   1.896
  404   1HA   GLY  39          2HA       GLY  39   2.272  13.772   0.578
  405   2HA   GLY  39          1HA       GLY  39   3.985  14.146   0.807
  406    QA   GLY  39           QA       GLY  39   3.128  13.959   0.693
  407    H    ILE  40           H        ILE  40   1.993  11.352  -0.206
  408    HA   ILE  40           HA       ILE  40   4.058  10.735  -2.298
  409    HB   ILE  40           HB       ILE  40   2.138   9.127  -0.645
  410   1HG1  ILE  40          2HG1      ILE  40   4.605  10.234   0.043
  411   2HG1  ILE  40          1HG1      ILE  40   3.771   8.962   0.912
  412   1HG2  ILE  40          2HG2      ILE  40   2.482   8.139  -2.899
  413   2HG2  ILE  40          1HG2      ILE  40   4.212   8.059  -2.561
  414   3HG2  ILE  40          3HG2      ILE  40   3.078   7.116  -1.590
  415   1HD1  ILE  40          1HD1      ILE  40   5.597   8.370  -1.403
  416   2HD1  ILE  40          3HD1      ILE  40   6.209   8.521   0.252
  417   3HD1  ILE  40          2HD1      ILE  40   5.024   7.270  -0.148
  418    QG1  ILE  40           QG1      ILE  40   4.188   9.598   0.478
  419    QG2  ILE  40           QG2      ILE  40   3.257   7.771  -2.350
  420    QD1  ILE  40           QD1      ILE  40   5.610   8.054  -0.433
  421    H    ASP  41           H        ASP  41   3.279  10.698  -4.415
  422    HA   ASP  41           HA       ASP  41   0.550   9.983  -5.105
  423   1HB   ASP  41          2HB       ASP  41  -0.127  12.272  -5.855
  424   2HB   ASP  41          1HB       ASP  41   0.121  12.177  -4.113
  425    QB   ASP  41           QB       ASP  41  -0.003  12.224  -4.984
  426    H    GLY  42           H        GLY  42   1.319   8.762  -6.823
  427   1HA   GLY  42          2HA       GLY  42   2.164  10.167  -9.225
  428   2HA   GLY  42          1HA       GLY  42   3.449   9.180  -8.530
  429    QA   GLY  42           QA       GLY  42   2.806   9.674  -8.878
  430    H    GLU  43           H        GLU  43   2.117   6.945  -7.649
  431    HA   GLU  43           HA       GLU  43   0.403   5.919  -9.843
  432   1HB   GLU  43          2HB       GLU  43   2.842   5.781 -10.521
  433   2HB   GLU  43          1HB       GLU  43   3.091   4.673  -9.167
  434   1HG   GLU  43          2HG       GLU  43   1.806   2.990 -10.138
  435   2HG   GLU  43          1HG       GLU  43   0.879   4.122 -11.124
  436    QB   GLU  43           QB       GLU  43   2.967   5.227  -9.844
  437    QG   GLU  43           QG       GLU  43   1.342   3.556 -10.631
  438    H    TRP  44           H        TRP  44  -0.209   3.589  -9.376
  439    HA   TRP  44           HA       TRP  44   0.175   2.526  -6.654
  440   1HB   TRP  44          2HB       TRP  44  -2.319   3.959  -7.562
  441   2HB   TRP  44          1HB       TRP  44  -2.471   2.558  -6.489
  442    HD1  TRP  44           HD       TRP  44  -1.557   6.195  -6.466
  443    HE1  TRP  44          1HE       TRP  44  -0.820   6.860  -4.082
  444    HE3  TRP  44          3HE       TRP  44  -1.276   1.577  -4.359
  445    HZ2  TRP  44          2HZ       TRP  44  -0.191   5.578  -1.596
  446    HZ3  TRP  44          3HZ       TRP  44  -0.607   1.318  -1.972
  447    HH2  TRP  44           HH       TRP  44  -0.060   3.312  -0.603
  448    QB   TRP  44           QB       TRP  44  -2.395   3.258  -7.025
  449    H    THR  45           H        THR  45   0.477   0.404  -7.198
  450    HA   THR  45           HA       THR  45  -1.521  -0.878  -9.023
  451    HB   THR  45           HB       THR  45   0.209  -1.912 -10.296
  452    HG1  THR  45          1HG       THR  45   1.656  -2.524  -8.794
  453   1HG2  THR  45          1HG2      THR  45  -0.107   0.487 -10.823
  454   2HG2  THR  45          3HG2      THR  45   1.177   0.889  -9.681
  455   3HG2  THR  45          2HG2      THR  45   1.548  -0.038 -11.136
  456    QG2  THR  45           QG2      THR  45   0.872   0.446 -10.547
  457    H    TYR  46           H        TYR  46  -2.258  -2.762  -8.186
  458    HA   TYR  46           HA       TYR  46  -0.991  -3.802  -5.701
  459   1HB   TYR  46          2HB       TYR  46  -3.339  -3.337  -5.564
  460   2HB   TYR  46          1HB       TYR  46  -3.663  -4.175  -7.081
  461    HD1  TYR  46          2HD       TYR  46  -1.818  -4.997  -3.906
  462    HD2  TYR  46          1HD       TYR  46  -4.751  -6.217  -6.798
  463    HE1  TYR  46          2HE       TYR  46  -2.130  -7.135  -2.689
  464    HE2  TYR  46          1HE       TYR  46  -5.054  -8.356  -5.583
  465    HH   TYR  46           HH       TYR  46  -3.279  -9.745  -3.830
  466    QB   TYR  46           QB       TYR  46  -3.501  -3.756  -6.323
  467    QG   TYR  46           QD       TYR  46  -3.285  -5.607  -5.352
  468    QZ   TYR  46           QE       TYR  46  -3.592  -7.746  -4.136
  469    QR   TYR  46           QR       TYR  46  -3.438  -6.676  -4.744
  470    H    ASP  47           H        ASP  47   0.195  -5.674  -5.758
  471    HA   ASP  47           HA       ASP  47   0.279  -7.248  -8.286
  472   1HB   ASP  47          2HB       ASP  47   2.267  -6.262  -6.819
  473   2HB   ASP  47          1HB       ASP  47   2.015  -7.737  -5.886
  474    QB   ASP  47           QB       ASP  47   2.141  -6.999  -6.353
  475    H    ASP  48           H        ASP  48  -1.477  -8.648  -8.200
  476    HA   ASP  48           HA       ASP  48  -2.436  -9.915  -5.781
  477   1HB   ASP  48          2HB       ASP  48  -3.854 -11.152  -7.405
  478   2HB   ASP  48          1HB       ASP  48  -3.835  -9.419  -7.733
  479    QB   ASP  48           QB       ASP  48  -3.845 -10.285  -7.569
  480    H    ALA  49           H        ALA  49   0.397 -10.558  -7.439
  481    HA   ALA  49           HA       ALA  49   0.286 -13.500  -7.210
  482   1HB   ALA  49          3HB       ALA  49   2.180 -11.415  -8.290
  483   2HB   ALA  49          2HB       ALA  49   2.730 -13.074  -8.053
  484   3HB   ALA  49          1HB       ALA  49   1.391 -12.737  -9.150
  485    QB   ALA  49           QB       ALA  49   2.101 -12.409  -8.498
  486    H    THR  50           H        THR  50   1.538 -10.677  -5.536
  487    HA   THR  50           HA       THR  50   2.520 -12.457  -3.350
  488    HB   THR  50           HB       THR  50   4.566 -11.052  -3.238
  489    HG1  THR  50          1HG       THR  50   4.896  -9.484  -4.733
  490   1HG2  THR  50          1HG2      THR  50   4.233 -13.131  -4.786
  491   2HG2  THR  50          3HG2      THR  50   4.298 -11.948  -6.091
  492   3HG2  THR  50          2HG2      THR  50   5.669 -12.129  -4.995
  493    QG2  THR  50           QG2      THR  50   4.734 -12.402  -5.291
  494    H    LYS  51           H        LYS  51   0.247 -10.340  -4.022
  495    HA   LYS  51           HA       LYS  51  -0.878  -8.631  -2.884
  496   1HB   LYS  51          2HB       LYS  51   0.436 -10.391  -0.835
  497   2HB   LYS  51          1HB       LYS  51  -0.570  -9.031  -0.323
  498   1HG   LYS  51          2HG       LYS  51  -2.114 -10.815  -0.508
  499   2HG   LYS  51          1HG       LYS  51  -2.282  -9.931  -2.024
  500   1HD   LYS  51          2HD       LYS  51  -1.436 -11.592  -3.272
  501   2HD   LYS  51          1HD       LYS  51  -0.211 -12.013  -2.073
  502   1HE   LYS  51          2HE       LYS  51  -1.540 -13.881  -1.800
  503   2HE   LYS  51          1HE       LYS  51  -2.482 -12.792  -0.760
  504   1HZ   LYS  51          3HZ       LYS  51  -3.757 -12.110  -2.707
  505   2HZ   LYS  51          2HZ       LYS  51  -2.883 -13.196  -3.679
  506   3HZ   LYS  51          1HZ       LYS  51  -3.899 -13.779  -2.449
  507    QB   LYS  51           QB       LYS  51  -0.067  -9.711  -0.579
  508    QG   LYS  51           QG       LYS  51  -2.198 -10.373  -1.266
  509    QD   LYS  51           QD       LYS  51  -0.823 -11.803  -2.672
  510    QE   LYS  51           QE       LYS  51  -2.011 -13.337  -1.280
  511    QZ   LYS  51           QZ       LYS  51  -3.513 -13.028  -2.945
  512    H    THR  52           H        THR  52   1.513  -7.689  -3.975
  513    HA   THR  52           HA       THR  52   2.534  -5.837  -1.837
  514    HB   THR  52           HB       THR  52   3.900  -6.854  -4.351
  515    HG1  THR  52          1HG       THR  52   3.806  -8.549  -3.000
  516   1HG2  THR  52          1HG2      THR  52   4.629  -4.949  -2.175
  517   2HG2  THR  52          3HG2      THR  52   5.894  -6.016  -2.782
  518   3HG2  THR  52          2HG2      THR  52   5.061  -4.921  -3.884
  519    QG2  THR  52           QG2      THR  52   5.195  -5.295  -2.947
  520    H    PHE  53           H        PHE  53   1.532  -3.879  -2.180
  521    HA   PHE  53           HA       PHE  53   0.543  -3.036  -4.774
  522   1HB   PHE  53          2HB       PHE  53   0.890  -1.739  -2.066
  523   2HB   PHE  53          1HB       PHE  53   0.162  -0.885  -3.428
  524    HD1  PHE  53          2HD       PHE  53  -0.181  -3.845  -1.191
  525    HD2  PHE  53          1HD       PHE  53  -2.080  -1.377  -4.161
  526    HE1  PHE  53          2HE       PHE  53  -2.352  -4.948  -0.722
  527    HE2  PHE  53          1HE       PHE  53  -4.238  -2.492  -3.690
  528   1HZ   PHE  53           HZ       PHE  53  -4.377  -4.275  -1.978
  529    QB   PHE  53           QB       PHE  53   0.526  -1.312  -2.747
  530    QG   PHE  53           QD       PHE  53  -1.130  -2.611  -2.676
  531    QZ   PHE  53           QE       PHE  53  -3.295  -3.720  -2.206
  532    QZ   PHE  53           QR       PHE  53  -2.646  -3.388  -2.349
  533    H    THR  54           H        THR  54   1.322  -0.487  -5.332
  534    HA   THR  54           HA       THR  54   4.238  -0.179  -5.010
  535    HB   THR  54           HB       THR  54   3.173  -0.326  -7.819
  536    HG1  THR  54          1HG       THR  54   3.862  -2.568  -7.764
  537   1HG2  THR  54          1HG2      THR  54   5.564   0.394  -6.888
  538   2HG2  THR  54          3HG2      THR  54   5.828  -1.349  -6.922
  539   3HG2  THR  54          2HG2      THR  54   5.395  -0.493  -8.402
  540    QG2  THR  54           QG2      THR  54   5.596  -0.483  -7.404
  541    H    VAL  55           H        VAL  55   4.171   1.958  -4.417
  542    HA   VAL  55           HA       VAL  55   2.470   3.771  -6.073
  543    HB   VAL  55           HB       VAL  55   1.577   3.442  -3.830
  544   1HG1  VAL  55          3HG1      VAL  55   4.370   4.227  -2.960
  545   2HG1  VAL  55          2HG1      VAL  55   2.982   4.144  -1.865
  546   3HG1  VAL  55          1HG1      VAL  55   3.546   2.683  -2.684
  547   1HG2  VAL  55          3HG2      VAL  55   2.968   6.118  -4.153
  548   2HG2  VAL  55          2HG2      VAL  55   1.339   5.705  -4.685
  549   3HG2  VAL  55          1HG2      VAL  55   1.707   5.796  -2.958
  550    QG1  VAL  55           QG1      VAL  55   3.633   3.685  -2.503
  551    QG2  VAL  55           QG2      VAL  55   2.005   5.873  -3.932
  552    QQG  VAL  55           QQG      VAL  55   2.819   4.779  -3.218
  553    H    THR  56           H        THR  56   3.391   5.631  -6.849
  554    HA   THR  56           HA       THR  56   6.169   6.293  -5.949
  555    HB   THR  56           HB       THR  56   6.040   4.825  -8.017
  556    HG1  THR  56          1HG       THR  56   7.725   6.473  -7.500
  557   1HG2  THR  56          1HG2      THR  56   4.052   6.577  -8.801
  558   2HG2  THR  56          3HG2      THR  56   5.430   7.044  -9.799
  559   3HG2  THR  56          2HG2      THR  56   4.846   5.378  -9.821
  560    QG2  THR  56           QG2      THR  56   4.776   6.333  -9.473
  561    H    GLU  57           H        GLU  57   6.694   8.472  -7.475
  562    HA   GLU  57           HA       GLU  57   4.325  10.282  -7.136
  563   1HB   GLU  57          2HB       GLU  57   6.307  10.194  -5.359
  564   2HB   GLU  57          1HB       GLU  57   7.113  11.214  -6.552
  565   1HG   GLU  57          2HG       GLU  57   4.300  11.880  -5.773
  566   2HG   GLU  57          1HG       GLU  57   5.604  12.293  -4.658
  567    QB   GLU  57           QB       GLU  57   6.710  10.704  -5.955
  568    QG   GLU  57           QG       GLU  57   4.952  12.087  -5.216
   
  No H/Q in entry =         568
  Start of MODEL   41
    1   1H    MET   1          3HT       MET   1  -0.720 -16.063   6.540
    2   2H    MET   1          2HT       MET   1  -1.348 -16.267   8.106
    3   3H    MET   1          1HT       MET   1  -2.380 -15.853   6.821
    4    HA   MET   1           HA       MET   1  -1.948 -13.903   8.184
    5   1HB   MET   1          2HB       MET   1   0.826 -14.958   7.714
    6   2HB   MET   1          1HB       MET   1   0.603 -13.234   8.018
    7   1HG   MET   1          2HG       MET   1  -0.226 -13.584  10.172
    8   2HG   MET   1          1HG       MET   1  -0.723 -15.239   9.819
    9   1HE   MET   1          2HE       MET   1   0.138 -16.578  11.480
   10   2HE   MET   1          1HE       MET   1   1.733 -16.533  12.227
   11   3HE   MET   1          3HE       MET   1   0.601 -15.196  12.472
   12    QB   MET   1           QB       MET   1   0.714 -14.096   7.866
   13    QG   MET   1           QG       MET   1  -0.475 -14.412   9.996
   14    QE   MET   1           QE       MET   1   0.824 -16.102  12.060
   15    H    THR   2           H        THR   2  -2.431 -12.114   6.971
   16    HA   THR   2           HA       THR   2  -2.028 -12.172   4.061
   17    HB   THR   2           HB       THR   2  -3.263 -10.148   5.960
   18    HG1  THR   2          1HG       THR   2  -4.458 -12.106   4.300
   19   1HG2  THR   2          3HG2      THR   2  -2.857 -10.212   3.036
   20   2HG2  THR   2          2HG2      THR   2  -4.504  -9.844   3.547
   21   3HG2  THR   2          1HG2      THR   2  -3.165  -8.839   4.100
   22    QG2  THR   2           QG2      THR   2  -3.509  -9.632   3.561
   23    H    THR   3           H        THR   3  -1.457  -9.492   6.363
   24    HA   THR   3           HA       THR   3   0.215  -7.830   6.384
   25    HB   THR   3           HB       THR   3   1.944 -10.153   5.501
   26    HG1  THR   3          1HG       THR   3   1.011 -11.041   7.182
   27   1HG2  THR   3          2HG2      THR   3   2.603  -7.538   6.060
   28   2HG2  THR   3          1HG2      THR   3   2.816  -8.315   7.632
   29   3HG2  THR   3          3HG2      THR   3   3.701  -8.912   6.228
   30    QG2  THR   3           QG2      THR   3   3.040  -8.255   6.640
   31    H    PHE   4           H        PHE   4  -0.834  -6.892   4.367
   32    HA   PHE   4           HA       PHE   4   0.302  -7.460   1.749
   33   1HB   PHE   4          2HB       PHE   4  -1.568  -5.509   3.024
   34   2HB   PHE   4          1HB       PHE   4  -0.888  -5.070   1.456
   35    HD1  PHE   4          1HD       PHE   4  -1.023  -6.819  -0.431
   36    HD2  PHE   4          2HD       PHE   4  -3.383  -7.013   3.150
   37    HE1  PHE   4          1HE       PHE   4  -2.603  -8.358  -1.556
   38    HE2  PHE   4          2HE       PHE   4  -4.966  -8.553   2.019
   39   1HZ   PHE   4           HZ       PHE   4  -4.575  -9.225  -0.334
   40    QB   PHE   4           QB       PHE   4  -1.228  -5.289   2.240
   41    QG   PHE   4           QD       PHE   4  -2.203  -6.916   1.359
   42    QZ   PHE   4           QE       PHE   4  -3.785  -8.456   0.231
   43    QZ   PHE   4           QR       PHE   4  -3.310  -7.994   0.569
   44    H    LYS   5           H        LYS   5   1.921  -6.283   0.658
   45    HA   LYS   5           HA       LYS   5   3.549  -4.442   2.371
   46   1HB   LYS   5          2HB       LYS   5   4.217  -6.145  -0.055
   47   2HB   LYS   5          1HB       LYS   5   5.376  -5.140   0.814
   48   1HG   LYS   5          2HG       LYS   5   5.456  -6.553   2.623
   49   2HG   LYS   5          1HG       LYS   5   3.772  -7.046   2.444
   50   1HD   LYS   5          2HD       LYS   5   4.716  -8.123   0.190
   51   2HD   LYS   5          1HD       LYS   5   6.217  -8.132   1.117
   52   1HE   LYS   5          2HE       LYS   5   5.397 -10.137   1.895
   53   2HE   LYS   5          1HE       LYS   5   4.460  -9.095   2.983
   54   1HZ   LYS   5          3HZ       LYS   5   3.582  -9.908   0.264
   55   2HZ   LYS   5          2HZ       LYS   5   3.050 -10.644   1.699
   56   3HZ   LYS   5          1HZ       LYS   5   2.684  -9.013   1.391
   57    QB   LYS   5           QB       LYS   5   4.796  -5.643   0.379
   58    QG   LYS   5           QG       LYS   5   4.614  -6.799   2.533
   59    QD   LYS   5           QD       LYS   5   5.466  -8.128   0.653
   60    QE   LYS   5           QE       LYS   5   4.929  -9.616   2.439
   61    QZ   LYS   5           QZ       LYS   5   3.105  -9.855   1.118
   62    H    LEU   6           H        LEU   6   4.952  -2.980   0.659
   63    HA   LEU   6           HA       LEU   6   3.281  -1.966  -1.562
   64   1HB   LEU   6          2HB       LEU   6   2.305  -0.894   0.387
   65   2HB   LEU   6          1HB       LEU   6   3.895  -0.431   0.985
   66    HG   LEU   6           HG       LEU   6   4.202   0.998  -1.040
   67   1HD1  LEU   6          1HD1      LEU   6   2.591  -0.330  -2.458
   68   2HD1  LEU   6          3HD1      LEU   6   1.274   0.418  -1.555
   69   3HD1  LEU   6          2HD1      LEU   6   2.351   1.416  -2.532
   70   1HD2  LEU   6          2HD2      LEU   6   3.144   1.780   1.171
   71   2HD2  LEU   6          1HD2      LEU   6   2.850   2.790  -0.245
   72   3HD2  LEU   6          3HD2      LEU   6   1.598   1.691   0.331
   73    QB   LEU   6           QB       LEU   6   3.100  -0.662   0.686
   74    QD1  LEU   6           QD1      LEU   6   2.072   0.501  -2.182
   75    QD2  LEU   6           QD2      LEU   6   2.531   2.087   0.419
   76    QQD  LEU   6           QQD      LEU   6   2.301   1.294  -0.881
   77    H    ILE   7           H        ILE   7   4.777  -1.661  -3.165
   78    HA   ILE   7           HA       ILE   7   7.606  -1.124  -2.507
   79    HB   ILE   7           HB       ILE   7   6.092  -1.545  -5.112
   80   1HG1  ILE   7          2HG1      ILE   7   8.032  -3.517  -3.992
   81   2HG1  ILE   7          1HG1      ILE   7   6.465  -3.391  -3.191
   82   1HG2  ILE   7          1HG2      ILE   7   8.932  -0.926  -4.475
   83   2HG2  ILE   7          3HG2      ILE   7   8.661  -2.199  -5.667
   84   3HG2  ILE   7          2HG2      ILE   7   8.006  -0.584  -5.937
   85   1HD1  ILE   7          2HD1      ILE   7   5.553  -3.473  -5.678
   86   2HD1  ILE   7          1HD1      ILE   7   7.100  -4.263  -5.985
   87   3HD1  ILE   7          3HD1      ILE   7   5.968  -4.960  -4.827
   88    QG1  ILE   7           QG1      ILE   7   7.248  -3.454  -3.591
   89    QG2  ILE   7           QG2      ILE   7   8.533  -1.236  -5.360
   90    QD1  ILE   7           QD1      ILE   7   6.207  -4.232  -5.497
   91    H    ILE   8           H        ILE   8   7.988   1.008  -2.006
   92    HA   ILE   8           HA       ILE   8   6.406   3.146  -3.254
   93    HB   ILE   8           HB       ILE   8   8.874   3.446  -1.533
   94   1HG1  ILE   8          2HG1      ILE   8   7.062   1.857  -0.521
   95   2HG1  ILE   8          1HG1      ILE   8   7.639   3.182   0.467
   96   1HG2  ILE   8          3HG2      ILE   8   6.752   5.188  -2.590
   97   2HG2  ILE   8          2HG2      ILE   8   7.049   5.401  -0.866
   98   3HG2  ILE   8          1HG2      ILE   8   8.371   5.595  -2.015
   99   1HD1  ILE   8          1HD1      ILE   8   5.341   3.920  -1.190
  100   2HD1  ILE   8          3HD1      ILE   8   4.990   2.607  -0.069
  101   3HD1  ILE   8          2HD1      ILE   8   5.599   4.148   0.539
  102    QG1  ILE   8           QG1      ILE   8   7.351   2.519  -0.027
  103    QG2  ILE   8           QG2      ILE   8   7.391   5.395  -1.823
  104    QD1  ILE   8           QD1      ILE   8   5.310   3.558  -0.240
  105    H    ASN   9           H        ASN   9   6.959   3.550  -5.384
  106    HA   ASN   9           HA       ASN   9   9.666   3.220  -6.412
  107   1HB   ASN   9          2HB       ASN   9   7.022   4.238  -7.369
  108   2HB   ASN   9          1HB       ASN   9   8.459   4.533  -8.341
  109   1HD2  ASN   9          2HD2      ASN   9   7.290   1.370  -9.714
  110   2HD2  ASN   9          1HD2      ASN   9   6.984   3.038  -9.853
  111    QB   ASN   9           QB       ASN   9   7.740   4.386  -7.855
  112    QD2  ASN   9           QD2      ASN   9   7.137   2.204  -9.784
  113    H    GLY  10           H        GLY  10   7.761   5.844  -5.137
  114   1HA   GLY  10          2HA       GLY  10   9.143   8.090  -6.144
  115   2HA   GLY  10          1HA       GLY  10   8.301   8.061  -4.597
  116    QA   GLY  10           QA       GLY  10   8.722   8.075  -5.370
  117    H    LYS  11           H        LYS  11  10.633   9.536  -4.834
  118    HA   LYS  11           HA       LYS  11  12.933   7.963  -3.910
  119   1HB   LYS  11          2HB       LYS  11  14.051  10.132  -3.974
  120   2HB   LYS  11          1HB       LYS  11  13.057   9.958  -5.416
  121   1HG   LYS  11          2HG       LYS  11  11.232  11.161  -3.909
  122   2HG   LYS  11          1HG       LYS  11  12.650  11.732  -3.034
  123   1HD   LYS  11          2HD       LYS  11  12.903  13.332  -4.598
  124   2HD   LYS  11          1HD       LYS  11  13.276  12.068  -5.768
  125   1HE   LYS  11          2HE       LYS  11  11.441  12.956  -6.847
  126   2HE   LYS  11          1HE       LYS  11  10.554  11.898  -5.730
  127   1HZ   LYS  11          1HZ       LYS  11  10.521  13.705  -4.114
  128   2HZ   LYS  11          3HZ       LYS  11  11.327  14.722  -5.206
  129   3HZ   LYS  11          2HZ       LYS  11   9.758  14.174  -5.557
  130    QB   LYS  11           QB       LYS  11  13.554  10.045  -4.695
  131    QG   LYS  11           QG       LYS  11  11.941  11.447  -3.471
  132    QD   LYS  11           QD       LYS  11  13.090  12.700  -5.183
  133    QE   LYS  11           QE       LYS  11  10.998  12.427  -6.289
  134    QZ   LYS  11           QZ       LYS  11  10.535  14.200  -4.959
  135    H    THR  12           H        THR  12  10.441  10.008  -2.463
  136    HA   THR  12           HA       THR  12  11.578  10.532   0.082
  137    HB   THR  12           HB       THR  12   9.066  10.461   0.744
  138    HG1  THR  12          1HG       THR  12   7.748   9.722  -0.702
  139   1HG2  THR  12          3HG2      THR  12  10.299  12.499   0.032
  140   2HG2  THR  12          2HG2      THR  12   9.916  12.119  -1.646
  141   3HG2  THR  12          1HG2      THR  12   8.622  12.511  -0.512
  142    QG2  THR  12           QG2      THR  12   9.612  12.376  -0.709
  143    H    LEU  13           H        LEU  13  10.092   7.609  -1.198
  144    HA   LEU  13           HA       LEU  13  10.940   6.129   1.261
  145   1HB   LEU  13          2HB       LEU  13   8.257   6.620   0.156
  146   2HB   LEU  13          1HB       LEU  13   8.589   4.913   0.431
  147    HG   LEU  13           HG       LEU  13   9.047   7.055   2.518
  148   1HD1  LEU  13          1HD1      LEU  13   6.646   5.353   1.851
  149   2HD1  LEU  13          3HD1      LEU  13   6.944   5.866   3.514
  150   3HD1  LEU  13          2HD1      LEU  13   6.708   7.072   2.252
  151   1HD2  LEU  13          3HD2      LEU  13  10.292   4.813   2.606
  152   2HD2  LEU  13          2HD2      LEU  13   9.331   5.222   4.027
  153   3HD2  LEU  13          1HD2      LEU  13   8.714   4.064   2.849
  154    QB   LEU  13           QB       LEU  13   8.423   5.767   0.293
  155    QD1  LEU  13           QD1      LEU  13   6.766   6.097   2.539
  156    QD2  LEU  13           QD2      LEU  13   9.446   4.699   3.161
  157    QQD  LEU  13           QQD      LEU  13   8.106   5.398   2.850
  158    H    LYS  14           H        LYS  14  11.716   4.028   0.767
  159    HA   LYS  14           HA       LYS  14  11.401   3.006  -1.974
  160   1HB   LYS  14          2HB       LYS  14  14.043   3.527  -0.586
  161   2HB   LYS  14          1HB       LYS  14  13.864   2.744  -2.156
  162   1HG   LYS  14          2HG       LYS  14  12.542   4.884  -2.820
  163   2HG   LYS  14          1HG       LYS  14  13.316   5.608  -1.410
  164   1HD   LYS  14          2HD       LYS  14  14.850   6.100  -3.107
  165   2HD   LYS  14          1HD       LYS  14  15.513   4.608  -2.438
  166   1HE   LYS  14          2HE       LYS  14  13.858   3.524  -4.264
  167   2HE   LYS  14          1HE       LYS  14  14.188   5.070  -5.071
  168   1HZ   LYS  14          2HZ       LYS  14  16.297   3.347  -3.886
  169   2HZ   LYS  14          1HZ       LYS  14  15.870   3.306  -5.530
  170   3HZ   LYS  14          3HZ       LYS  14  16.517   4.723  -4.858
  171    QB   LYS  14           QB       LYS  14  13.953   3.135  -1.371
  172    QG   LYS  14           QG       LYS  14  12.929   5.246  -2.115
  173    QD   LYS  14           QD       LYS  14  15.181   5.354  -2.773
  174    QE   LYS  14           QE       LYS  14  14.023   4.297  -4.667
  175    QZ   LYS  14           QZ       LYS  14  16.228   3.792  -4.758
  176    H    GLY  15           H        GLY  15  10.146   1.312  -0.921
  177   1HA   GLY  15          2HA       GLY  15  11.287  -1.119  -0.477
  178   2HA   GLY  15          1HA       GLY  15  11.486  -0.359   1.101
  179    QA   GLY  15           QA       GLY  15  11.386  -0.739   0.312
  180    H    GLU  16           H        GLU  16  10.048  -2.185   1.778
  181    HA   GLU  16           HA       GLU  16   7.155  -1.525   1.322
  182   1HB   GLU  16          2HB       GLU  16   8.605  -4.158   1.717
  183   2HB   GLU  16          1HB       GLU  16   6.847  -4.006   1.709
  184   1HG   GLU  16          2HG       GLU  16   6.762  -3.491  -0.554
  185   2HG   GLU  16          1HG       GLU  16   8.402  -2.841  -0.573
  186    QB   GLU  16           QB       GLU  16   7.726  -4.082   1.713
  187    QG   GLU  16           QG       GLU  16   7.582  -3.166  -0.563
  188    H    ILE  17           H        ILE  17   5.808  -1.622   3.179
  189    HA   ILE  17           HA       ILE  17   7.265  -1.525   5.784
  190    HB   ILE  17           HB       ILE  17   4.514  -0.572   4.919
  191   1HG1  ILE  17          2HG1      ILE  17   6.360   0.676   3.854
  192   2HG1  ILE  17          1HG1      ILE  17   5.529   1.681   5.038
  193   1HG2  ILE  17          1HG2      ILE  17   4.623  -1.096   7.329
  194   2HG2  ILE  17          3HG2      ILE  17   6.054  -0.077   7.487
  195   3HG2  ILE  17          2HG2      ILE  17   4.501   0.644   7.065
  196   1HD1  ILE  17          1HD1      ILE  17   7.304   1.048   6.713
  197   2HD1  ILE  17          3HD1      ILE  17   8.172   0.239   5.408
  198   3HD1  ILE  17          2HD1      ILE  17   7.914   1.983   5.347
  199    QG1  ILE  17           QG1      ILE  17   5.945   1.179   4.446
  200    QG2  ILE  17           QG2      ILE  17   5.059  -0.176   7.294
  201    QD1  ILE  17           QD1      ILE  17   7.796   1.090   5.823
  202    H    THR  18           H        THR  18   5.072  -3.496   3.972
  203    HA   THR  18           HA       THR  18   3.823  -5.411   4.493
  204    HB   THR  18           HB       THR  18   4.958  -6.947   5.939
  205    HG1  THR  18          1HG       THR  18   6.253  -6.325   7.565
  206   1HG2  THR  18          3HG2      THR  18   6.356  -5.440   4.004
  207   2HG2  THR  18          2HG2      THR  18   7.462  -5.631   5.363
  208   3HG2  THR  18          1HG2      THR  18   6.754  -7.053   4.596
  209    QG2  THR  18           QG2      THR  18   6.857  -6.041   4.654
  210    H    ILE  19           H        ILE  19   1.786  -4.939   5.165
  211    HA   ILE  19           HA       ILE  19   1.367  -4.458   8.092
  212    HB   ILE  19           HB       ILE  19  -0.315  -2.744   7.491
  213   1HG1  ILE  19          2HG1      ILE  19   0.133  -2.005   4.906
  214   2HG1  ILE  19          1HG1      ILE  19   0.293  -3.753   4.762
  215   1HG2  ILE  19          3HG2      ILE  19   2.158  -2.217   7.816
  216   2HG2  ILE  19          2HG2      ILE  19   2.281  -2.146   6.058
  217   3HG2  ILE  19          1HG2      ILE  19   1.232  -1.017   6.915
  218   1HD1  ILE  19          1HD1      ILE  19  -1.913  -3.777   6.205
  219   2HD1  ILE  19          3HD1      ILE  19  -2.092  -2.132   5.594
  220   3HD1  ILE  19          2HD1      ILE  19  -2.003  -3.488   4.467
  221    QG1  ILE  19           QG1      ILE  19   0.213  -2.879   4.834
  222    QG2  ILE  19           QG2      ILE  19   1.890  -1.793   6.930
  223    QD1  ILE  19           QD1      ILE  19  -2.003  -3.132   5.422
  224    H    GLU  20           H        GLU  20  -0.244  -5.709   8.945
  225    HA   GLU  20           HA       GLU  20  -1.573  -7.713   7.291
  226   1HB   GLU  20          2HB       GLU  20  -1.218  -6.990  10.137
  227   2HB   GLU  20          1HB       GLU  20  -2.742  -7.797   9.774
  228   1HG   GLU  20          2HG       GLU  20  -1.730  -9.779   9.280
  229   2HG   GLU  20          1HG       GLU  20  -0.361  -8.996   8.489
  230    QB   GLU  20           QB       GLU  20  -1.980  -7.393   9.955
  231    QG   GLU  20           QG       GLU  20  -1.045  -9.387   8.885
  232    H    ALA  21           H        ALA  21  -3.750  -7.750   6.671
  233    HA   ALA  21           HA       ALA  21  -5.642  -5.714   7.660
  234   1HB   ALA  21          2HB       ALA  21  -4.324  -5.700   4.959
  235   2HB   ALA  21          1HB       ALA  21  -5.977  -5.101   5.112
  236   3HB   ALA  21          3HB       ALA  21  -4.675  -4.343   6.030
  237    QB   ALA  21           QB       ALA  21  -4.992  -5.048   5.367
  238    H    VAL  22           H        VAL  22  -7.841  -6.135   6.828
  239    HA   VAL  22           HA       VAL  22  -8.634  -8.827   6.803
  240    HB   VAL  22           HB       VAL  22 -10.084  -6.888   7.252
  241   1HG1  VAL  22          2HG1      VAL  22  -8.989  -5.568   5.294
  242   2HG1  VAL  22          1HG1      VAL  22 -10.200  -6.359   4.286
  243   3HG1  VAL  22          3HG1      VAL  22 -10.704  -5.314   5.614
  244   1HG2  VAL  22          2HG2      VAL  22 -10.946  -8.623   4.918
  245   2HG2  VAL  22          1HG2      VAL  22 -11.227  -8.930   6.632
  246   3HG2  VAL  22          3HG2      VAL  22 -12.047  -7.590   5.830
  247    QG1  VAL  22           QG1      VAL  22  -9.964  -5.747   5.065
  248    QG2  VAL  22           QG2      VAL  22 -11.406  -8.381   5.794
  249    QQG  VAL  22           QQG      VAL  22 -10.685  -7.064   5.429
  250    H    ASP  23           H        ASP  23  -7.896  -6.693   4.062
  251    HA   ASP  23           HA       ASP  23  -7.347  -9.004   2.326
  252   1HB   ASP  23          2HB       ASP  23  -9.812  -7.303   2.187
  253   2HB   ASP  23          1HB       ASP  23  -9.096  -7.851   0.671
  254    QB   ASP  23           QB       ASP  23  -9.454  -7.577   1.429
  255    H    ALA  24           H        ALA  24  -6.884  -7.996  -0.024
  256    HA   ALA  24           HA       ALA  24  -4.767  -6.085   0.268
  257   1HB   ALA  24          1HB       ALA  24  -5.569  -7.857  -1.624
  258   2HB   ALA  24          3HB       ALA  24  -6.152  -6.360  -2.354
  259   3HB   ALA  24          2HB       ALA  24  -4.441  -6.541  -1.963
  260    QB   ALA  24           QB       ALA  24  -5.387  -6.919  -1.980
  261    H    ALA  25           H        ALA  25  -8.204  -5.758  -0.435
  262    HA   ALA  25           HA       ALA  25  -8.297  -3.137  -1.481
  263   1HB   ALA  25          2HB       ALA  25 -10.130  -4.875   0.155
  264   2HB   ALA  25          1HB       ALA  25 -10.618  -3.233  -0.268
  265   3HB   ALA  25          3HB       ALA  25 -10.276  -4.408  -1.539
  266    QB   ALA  25           QB       ALA  25 -10.341  -4.172  -0.551
  267    H    GLU  26           H        GLU  26  -8.601  -4.205   1.917
  268    HA   GLU  26           HA       GLU  26  -8.646  -1.559   3.057
  269   1HB   GLU  26          2HB       GLU  26  -9.425  -3.651   4.158
  270   2HB   GLU  26          1HB       GLU  26  -7.759  -4.230   4.209
  271   1HG   GLU  26          2HG       GLU  26  -7.784  -3.267   6.286
  272   2HG   GLU  26          1HG       GLU  26  -7.443  -1.798   5.371
  273    QB   GLU  26           QB       GLU  26  -8.592  -3.940   4.184
  274    QG   GLU  26           QG       GLU  26  -7.613  -2.533   5.829
  275    H    ALA  27           H        ALA  27  -6.050  -3.883   2.355
  276    HA   ALA  27           HA       ALA  27  -3.875  -2.514   3.596
  277   1HB   ALA  27          2HB       ALA  27  -4.284  -4.498   1.398
  278   2HB   ALA  27          1HB       ALA  27  -2.701  -3.722   1.500
  279   3HB   ALA  27          3HB       ALA  27  -3.326  -4.641   2.871
  280    QB   ALA  27           QB       ALA  27  -3.437  -4.287   1.923
  281    H    GLU  28           H        GLU  28  -5.232  -2.270   0.301
  282    HA   GLU  28           HA       GLU  28  -3.405  -0.353  -0.757
  283   1HB   GLU  28          2HB       GLU  28  -5.280  -1.762  -1.865
  284   2HB   GLU  28          1HB       GLU  28  -6.364  -0.462  -1.370
  285   1HG   GLU  28          2HG       GLU  28  -4.703   1.135  -2.517
  286   2HG   GLU  28          1HG       GLU  28  -4.012  -0.303  -3.269
  287    QB   GLU  28           QB       GLU  28  -5.822  -1.112  -1.617
  288    QG   GLU  28           QG       GLU  28  -4.357   0.416  -2.893
  289    H    LYS  29           H        LYS  29  -6.332   0.020   1.232
  290    HA   LYS  29           HA       LYS  29  -6.418   2.923   1.077
  291   1HB   LYS  29          2HB       LYS  29  -7.549   0.860   2.997
  292   2HB   LYS  29          1HB       LYS  29  -7.957   2.575   3.060
  293   1HG   LYS  29          2HG       LYS  29  -8.311   1.866   0.365
  294   2HG   LYS  29          1HG       LYS  29  -8.967   0.505   1.272
  295   1HD   LYS  29          2HD       LYS  29 -10.825   1.899   1.190
  296   2HD   LYS  29          1HD       LYS  29 -10.097   2.418   2.711
  297   1HE   LYS  29          2HE       LYS  29 -10.423   4.479   1.641
  298   2HE   LYS  29          1HE       LYS  29  -8.770   4.092   1.122
  299   1HZ   LYS  29          2HZ       LYS  29  -9.791   2.894  -0.795
  300   2HZ   LYS  29          1HZ       LYS  29 -11.290   3.562  -0.354
  301   3HZ   LYS  29          3HZ       LYS  29 -10.018   4.578  -0.827
  302    QB   LYS  29           QB       LYS  29  -7.753   1.717   3.028
  303    QG   LYS  29           QG       LYS  29  -8.639   1.186   0.818
  304    QD   LYS  29           QD       LYS  29 -10.461   2.158   1.951
  305    QE   LYS  29           QE       LYS  29  -9.596   4.285   1.382
  306    QZ   LYS  29           QZ       LYS  29 -10.366   3.678  -0.659
  307    H    ILE  30           H        ILE  30  -5.287   0.608   3.560
  308    HA   ILE  30           HA       ILE  30  -4.223   2.505   5.415
  309    HB   ILE  30           HB       ILE  30  -3.372  -0.334   4.714
  310   1HG1  ILE  30          2HG1      ILE  30  -5.224   0.644   6.908
  311   2HG1  ILE  30          1HG1      ILE  30  -5.789   0.005   5.366
  312   1HG2  ILE  30          2HG2      ILE  30  -1.950   1.376   6.287
  313   2HG2  ILE  30          1HG2      ILE  30  -3.067   0.713   7.476
  314   3HG2  ILE  30          3HG2      ILE  30  -2.016  -0.363   6.558
  315   1HD1  ILE  30          3HD1      ILE  30  -3.966  -1.916   6.207
  316   2HD1  ILE  30          2HD1      ILE  30  -4.760  -1.426   7.704
  317   3HD1  ILE  30          1HD1      ILE  30  -5.720  -2.030   6.356
  318    QG1  ILE  30           QG1      ILE  30  -5.506   0.325   6.137
  319    QG2  ILE  30           QG2      ILE  30  -2.344   0.575   6.774
  320    QD1  ILE  30           QD1      ILE  30  -4.815  -1.791   6.756
  321    H    PHE  31           H        PHE  31  -2.942   1.067   2.464
  322    HA   PHE  31           HA       PHE  31  -0.247   2.175   2.799
  323   1HB   PHE  31          2HB       PHE  31  -1.807   0.576   0.800
  324   2HB   PHE  31          1HB       PHE  31  -0.350   1.390   0.241
  325    HD1  PHE  31          1HD       PHE  31   1.546   1.248   2.351
  326    HD2  PHE  31          2HD       PHE  31  -1.398  -1.668   1.225
  327    HE1  PHE  31          1HE       PHE  31   2.940  -0.539   3.357
  328    HE2  PHE  31          2HE       PHE  31  -0.004  -3.460   2.233
  329   1HZ   PHE  31           HZ       PHE  31   2.165  -2.891   3.299
  330    QB   PHE  31           QB       PHE  31  -1.078   0.983   0.521
  331    QG   PHE  31           QD       PHE  31   0.074  -0.210   1.788
  332    QZ   PHE  31           QE       PHE  31   1.468  -2.000   2.795
  333    QZ   PHE  31           QR       PHE  31   1.050  -1.462   2.493
  334    H    LYS  32           H        LYS  32  -3.197   2.949   0.989
  335    HA   LYS  32           HA       LYS  32  -2.045   5.197  -0.420
  336   1HB   LYS  32          2HB       LYS  32  -4.792   4.062   0.006
  337   2HB   LYS  32          1HB       LYS  32  -4.577   5.603  -0.818
  338   1HG   LYS  32          2HG       LYS  32  -3.090   4.563  -2.457
  339   2HG   LYS  32          1HG       LYS  32  -3.217   3.016  -1.623
  340   1HD   LYS  32          2HD       LYS  32  -4.765   2.910  -3.446
  341   2HD   LYS  32          1HD       LYS  32  -5.738   3.170  -1.998
  342   1HE   LYS  32          2HE       LYS  32  -6.652   4.892  -3.202
  343   2HE   LYS  32          1HE       LYS  32  -5.168   5.760  -2.764
  344   1HZ   LYS  32          1HZ       LYS  32  -4.097   4.811  -4.730
  345   2HZ   LYS  32          3HZ       LYS  32  -5.548   4.052  -5.168
  346   3HZ   LYS  32          2HZ       LYS  32  -5.446   5.748  -5.159
  347    QB   LYS  32           QB       LYS  32  -4.685   4.832  -0.406
  348    QG   LYS  32           QG       LYS  32  -3.154   3.789  -2.040
  349    QD   LYS  32           QD       LYS  32  -5.252   3.040  -2.722
  350    QE   LYS  32           QE       LYS  32  -5.910   5.326  -2.983
  351    QZ   LYS  32           QZ       LYS  32  -5.030   4.871  -5.019
  352    H    GLN  33           H        GLN  33  -2.689   4.857   2.827
  353    HA   GLN  33           HA       GLN  33  -3.568   7.721   3.145
  354   1HB   GLN  33          2HB       GLN  33  -3.648   5.258   4.931
  355   2HB   GLN  33          1HB       GLN  33  -4.028   6.877   5.516
  356   1HG   GLN  33          2HG       GLN  33  -5.444   6.118   3.037
  357   2HG   GLN  33          1HG       GLN  33  -5.871   5.147   4.446
  358   1HE2  GLN  33          2HE2      GLN  33  -6.510   9.207   4.768
  359   2HE2  GLN  33          1HE2      GLN  33  -5.138   8.657   3.933
  360    QB   GLN  33           QB       GLN  33  -3.838   6.068   5.224
  361    QG   GLN  33           QG       GLN  33  -5.657   5.633   3.742
  362    QE2  GLN  33           QE2      GLN  33  -5.824   8.932   4.351
  363    H    TYR  34           H        TYR  34  -1.437   5.163   4.182
  364    HA   TYR  34           HA       TYR  34   0.470   6.442   5.806
  365   1HB   TYR  34          2HB       TYR  34   0.399   4.091   5.537
  366   2HB   TYR  34          1HB       TYR  34   0.311   4.212   3.776
  367    HD1  TYR  34          1HD       TYR  34   2.430   4.914   2.515
  368    HD2  TYR  34          2HD       TYR  34   2.467   3.910   6.691
  369    HE1  TYR  34          1HE       TYR  34   4.886   4.596   2.417
  370    HE2  TYR  34          2HE       TYR  34   4.925   3.594   6.594
  371    HH   TYR  34           HH       TYR  34   6.837   4.529   5.042
  372    QB   TYR  34           QB       TYR  34   0.355   4.151   4.657
  373    QG   TYR  34           QD       TYR  34   2.448   4.412   4.603
  374    QZ   TYR  34           QE       TYR  34   4.905   4.095   4.506
  375    QR   TYR  34           QR       TYR  34   3.677   4.254   4.555
  376    H    ALA  35           H        ALA  35   0.304   6.142   2.257
  377    HA   ALA  35           HA       ALA  35   2.721   7.541   1.547
  378   1HB   ALA  35          3HB       ALA  35   0.287   6.472   0.307
  379   2HB   ALA  35          2HB       ALA  35   0.774   8.001  -0.437
  380   3HB   ALA  35          1HB       ALA  35   1.904   6.643  -0.392
  381    QB   ALA  35           QB       ALA  35   0.988   7.039  -0.174
  382    H    ASN  36           H        ASN  36  -0.683   8.651   1.435
  383    HA   ASN  36           HA       ASN  36  -0.239  11.408   0.986
  384   1HB   ASN  36          2HB       ASN  36  -2.379   9.705   2.196
  385   2HB   ASN  36          1HB       ASN  36  -2.534  11.457   2.301
  386   1HD2  ASN  36          2HD2      ASN  36  -2.348   9.937  -1.524
  387   2HD2  ASN  36          1HD2      ASN  36  -1.327   9.288  -0.335
  388    QB   ASN  36           QB       ASN  36  -2.457  10.581   2.249
  389    QD2  ASN  36           QD2      ASN  36  -1.837   9.613  -0.930
  390    H    ASP  37           H        ASP  37  -0.603   9.666   4.074
  391    HA   ASP  37           HA       ASP  37  -0.591  11.748   5.925
  392   1HB   ASP  37          2HB       ASP  37   0.522   8.967   5.852
  393   2HB   ASP  37          1HB       ASP  37   0.822   9.967   7.274
  394    QB   ASP  37           QB       ASP  37   0.672   9.467   6.563
  395    H    ASN  38           H        ASN  38   2.071  10.603   4.004
  396    HA   ASN  38           HA       ASN  38   3.963  12.391   5.403
  397   1HB   ASN  38          2HB       ASN  38   4.342   9.885   4.861
  398   2HB   ASN  38          1HB       ASN  38   4.577  10.429   3.199
  399   1HD2  ASN  38          2HD2      ASN  38   7.259  11.878   5.973
  400   2HD2  ASN  38          1HD2      ASN  38   5.627  11.719   6.413
  401    QB   ASN  38           QB       ASN  38   4.460  10.157   4.030
  402    QD2  ASN  38           QD2      ASN  38   6.443  11.799   6.193
  403    H    GLY  39           H        GLY  39   2.730  11.600   2.172
  404   1HA   GLY  39          2HA       GLY  39   2.124  13.717   0.825
  405   2HA   GLY  39          1HA       GLY  39   3.800  14.192   1.135
  406    QA   GLY  39           QA       GLY  39   2.962  13.954   0.980
  407    H    ILE  40           H        ILE  40   2.101  11.225   0.110
  408    HA   ILE  40           HA       ILE  40   4.233  10.796  -1.968
  409    HB   ILE  40           HB       ILE  40   2.476   8.987  -0.366
  410   1HG1  ILE  40          2HG1      ILE  40   4.727  10.397   0.493
  411   2HG1  ILE  40          1HG1      ILE  40   3.979   9.041   1.316
  412   1HG2  ILE  40          1HG2      ILE  40   3.110   8.076  -2.578
  413   2HG2  ILE  40          3HG2      ILE  40   4.804   8.198  -2.098
  414   3HG2  ILE  40          2HG2      ILE  40   3.712   7.121  -1.220
  415   1HD1  ILE  40          1HD1      ILE  40   6.048   8.666  -0.835
  416   2HD1  ILE  40          3HD1      ILE  40   6.485   8.887   0.862
  417   3HD1  ILE  40          2HD1      ILE  40   5.502   7.501   0.381
  418    QG1  ILE  40           QG1      ILE  40   4.353   9.719   0.904
  419    QG2  ILE  40           QG2      ILE  40   3.875   7.798  -1.965
  420    QD1  ILE  40           QD1      ILE  40   6.012   8.351   0.136
  421    H    ASP  41           H        ASP  41   3.399   9.752  -3.969
  422    HA   ASP  41           HA       ASP  41   0.605   9.248  -4.474
  423   1HB   ASP  41          2HB       ASP  41   0.185  11.274  -5.889
  424   2HB   ASP  41          1HB       ASP  41   0.449  11.686  -4.198
  425    QB   ASP  41           QB       ASP  41   0.317  11.480  -5.044
  426    H    GLY  42           H        GLY  42   0.450   9.782  -7.167
  427   1HA   GLY  42          2HA       GLY  42   1.830   9.618  -9.214
  428   2HA   GLY  42          1HA       GLY  42   2.881   8.543  -8.318
  429    QA   GLY  42           QA       GLY  42   2.355   9.081  -8.766
  430    H    GLU  43           H        GLU  43   2.739   6.570  -9.121
  431    HA   GLU  43           HA       GLU  43   0.234   5.584 -10.364
  432   1HB   GLU  43          2HB       GLU  43   2.486   5.493 -11.460
  433   2HB   GLU  43          1HB       GLU  43   3.030   4.397 -10.182
  434   1HG   GLU  43          2HG       GLU  43   1.241   2.803 -10.810
  435   2HG   GLU  43          1HG       GLU  43   0.724   3.890 -12.099
  436    QB   GLU  43           QB       GLU  43   2.758   4.945 -10.821
  437    QG   GLU  43           QG       GLU  43   0.982   3.346 -11.454
  438    H    TRP  44           H        TRP  44  -1.156   4.641  -8.872
  439    HA   TRP  44           HA       TRP  44  -0.020   2.928  -6.709
  440   1HB   TRP  44          2HB       TRP  44  -2.563   4.407  -7.237
  441   2HB   TRP  44          1HB       TRP  44  -2.668   2.929  -6.266
  442    HD1  TRP  44           HD       TRP  44  -1.399   6.491  -6.134
  443    HE1  TRP  44          1HE       TRP  44  -0.447   6.937  -3.776
  444    HE3  TRP  44          3HE       TRP  44  -1.517   1.760  -4.266
  445    HZ2  TRP  44          2HZ       TRP  44   0.188   5.459  -1.408
  446    HZ3  TRP  44          3HZ       TRP  44  -0.727   1.298  -1.951
  447    HH2  TRP  44           HH       TRP  44   0.128   3.145  -0.530
  448    QB   TRP  44           QB       TRP  44  -2.616   3.668  -6.751
  449    H    THR  45           H        THR  45   0.227   0.844  -7.181
  450    HA   THR  45           HA       THR  45  -1.822  -0.477  -8.941
  451    HB   THR  45           HB       THR  45  -0.074  -1.579 -10.143
  452    HG1  THR  45          1HG       THR  45   1.465  -2.228  -8.878
  453   1HG2  THR  45          1HG2      THR  45  -0.277   0.833 -10.724
  454   2HG2  THR  45          3HG2      THR  45   0.994   1.194  -9.555
  455   3HG2  THR  45          2HG2      THR  45   1.357   0.218 -10.981
  456    QG2  THR  45           QG2      THR  45   0.691   0.748 -10.420
  457    H    TYR  46           H        TYR  46  -1.929  -2.844  -8.548
  458    HA   TYR  46           HA       TYR  46  -1.001  -3.588  -5.796
  459   1HB   TYR  46          2HB       TYR  46  -3.371  -3.206  -5.727
  460   2HB   TYR  46          1HB       TYR  46  -3.625  -4.078  -7.243
  461    HD1  TYR  46          2HD       TYR  46  -1.836  -4.763  -4.014
  462    HD2  TYR  46          1HD       TYR  46  -4.632  -6.171  -6.952
  463    HE1  TYR  46          2HE       TYR  46  -2.080  -6.881  -2.762
  464    HE2  TYR  46          1HE       TYR  46  -4.867  -8.303  -5.703
  465    HH   TYR  46           HH       TYR  46  -4.464  -8.890  -2.986
  466    QB   TYR  46           QB       TYR  46  -3.498  -3.642  -6.485
  467    QG   TYR  46           QD       TYR  46  -3.234  -5.467  -5.483
  468    QZ   TYR  46           QE       TYR  46  -3.473  -7.592  -4.232
  469    QR   TYR  46           QR       TYR  46  -3.354  -6.530  -4.858
  470    H    ASP  47           H        ASP  47   0.043  -5.569  -5.685
  471    HA   ASP  47           HA       ASP  47   0.310  -7.117  -8.232
  472   1HB   ASP  47          2HB       ASP  47   2.301  -6.037  -7.034
  473   2HB   ASP  47          1HB       ASP  47   2.047  -7.221  -5.754
  474    QB   ASP  47           QB       ASP  47   2.174  -6.629  -6.394
  475    H    ASP  48           H        ASP  48  -1.409  -8.577  -8.088
  476    HA   ASP  48           HA       ASP  48  -2.235  -9.884  -5.646
  477   1HB   ASP  48          2HB       ASP  48  -3.603 -11.227  -7.231
  478   2HB   ASP  48          1HB       ASP  48  -3.703  -9.501  -7.573
  479    QB   ASP  48           QB       ASP  48  -3.653 -10.364  -7.402
  480    H    ALA  49           H        ALA  49   0.553 -10.380  -7.475
  481    HA   ALA  49           HA       ALA  49   0.663 -13.311  -7.102
  482   1HB   ALA  49          2HB       ALA  49   1.510 -11.661  -9.065
  483   2HB   ALA  49          1HB       ALA  49   2.969 -11.692  -8.075
  484   3HB   ALA  49          3HB       ALA  49   2.306 -13.195  -8.717
  485    QB   ALA  49           QB       ALA  49   2.262 -12.182  -8.619
  486    H    THR  50           H        THR  50   1.878 -10.330  -5.691
  487    HA   THR  50           HA       THR  50   3.358 -11.955  -3.652
  488    HB   THR  50           HB       THR  50   5.021 -10.102  -3.656
  489    HG1  THR  50          1HG       THR  50   4.831  -8.574  -5.359
  490   1HG2  THR  50          1HG2      THR  50   4.916 -12.155  -5.351
  491   2HG2  THR  50          3HG2      THR  50   4.747 -10.855  -6.531
  492   3HG2  THR  50          2HG2      THR  50   6.166 -10.917  -5.486
  493    QG2  THR  50           QG2      THR  50   5.276 -11.309  -5.789
  494    H    LYS  51           H        LYS  51   0.667 -10.143  -4.081
  495    HA   LYS  51           HA       LYS  51  -0.675  -8.811  -2.671
  496   1HB   LYS  51          2HB       LYS  51   1.161 -10.126  -0.636
  497   2HB   LYS  51          1HB       LYS  51  -0.375  -9.348  -0.258
  498   1HG   LYS  51          2HG       LYS  51  -0.362 -11.456  -2.379
  499   2HG   LYS  51          1HG       LYS  51  -0.233 -11.973  -0.699
  500   1HD   LYS  51          2HD       LYS  51  -2.260 -10.549  -0.197
  501   2HD   LYS  51          1HD       LYS  51  -2.435 -10.302  -1.934
  502   1HE   LYS  51          2HE       LYS  51  -3.183 -12.444  -2.295
  503   2HE   LYS  51          1HE       LYS  51  -2.126 -13.128  -1.043
  504   1HZ   LYS  51          1HZ       LYS  51  -3.530 -11.946   0.616
  505   2HZ   LYS  51          3HZ       LYS  51  -4.613 -11.559  -0.630
  506   3HZ   LYS  51          2HZ       LYS  51  -4.346 -13.185  -0.213
  507    QB   LYS  51           QB       LYS  51   0.393  -9.737  -0.447
  508    QG   LYS  51           QG       LYS  51  -0.297 -11.715  -1.539
  509    QD   LYS  51           QD       LYS  51  -2.348 -10.425  -1.066
  510    QE   LYS  51           QE       LYS  51  -2.654 -12.786  -1.669
  511    QZ   LYS  51           QZ       LYS  51  -4.163 -12.230  -0.076
  512    H    THR  52           H        THR  52   1.533  -7.483  -3.874
  513    HA   THR  52           HA       THR  52   2.268  -5.502  -1.732
  514    HB   THR  52           HB       THR  52   3.910  -6.192  -4.177
  515    HG1  THR  52          1HG       THR  52   3.910  -7.371  -1.601
  516   1HG2  THR  52          3HG2      THR  52   4.436  -4.825  -1.534
  517   2HG2  THR  52          2HG2      THR  52   5.735  -5.378  -2.590
  518   3HG2  THR  52          1HG2      THR  52   4.601  -4.152  -3.155
  519    QG2  THR  52           QG2      THR  52   4.924  -4.785  -2.426
  520    H    PHE  53           H        PHE  53   1.861  -3.351  -2.258
  521    HA   PHE  53           HA       PHE  53   0.543  -2.819  -4.866
  522   1HB   PHE  53          2HB       PHE  53   0.756  -1.387  -2.213
  523   2HB   PHE  53          1HB       PHE  53  -0.001  -0.640  -3.617
  524    HD1  PHE  53          2HD       PHE  53  -0.164  -3.579  -1.328
  525    HD2  PHE  53          1HD       PHE  53  -2.221  -1.219  -4.280
  526    HE1  PHE  53          2HE       PHE  53  -2.279  -4.778  -0.814
  527    HE2  PHE  53          1HE       PHE  53  -4.322  -2.421  -3.766
  528   1HZ   PHE  53           HZ       PHE  53  -4.354  -4.198  -2.038
  529    QB   PHE  53           QB       PHE  53   0.377  -1.014  -2.915
  530    QG   PHE  53           QD       PHE  53  -1.192  -2.399  -2.804
  531    QZ   PHE  53           QE       PHE  53  -3.301  -3.599  -2.290
  532    QZ   PHE  53           QR       PHE  53  -2.668  -3.239  -2.445
  533    H    THR  54           H        THR  54   1.110  -0.058  -5.191
  534    HA   THR  54           HA       THR  54   4.037   0.292  -5.083
  535    HB   THR  54           HB       THR  54   2.564   0.344  -7.728
  536    HG1  THR  54          1HG       THR  54   2.439  -1.748  -7.192
  537   1HG2  THR  54          3HG2      THR  54   5.365   0.652  -6.783
  538   2HG2  THR  54          2HG2      THR  54   5.135  -0.240  -8.287
  539   3HG2  THR  54          1HG2      THR  54   4.546   1.416  -8.143
  540    QG2  THR  54           QG2      THR  54   5.015   0.609  -7.738
  541    H    VAL  55           H        VAL  55   4.583   2.538  -5.806
  542    HA   VAL  55           HA       VAL  55   2.416   4.445  -6.307
  543    HB   VAL  55           HB       VAL  55   1.989   4.065  -3.981
  544   1HG1  VAL  55          2HG1      VAL  55   4.108   2.948  -3.435
  545   2HG1  VAL  55          1HG1      VAL  55   4.946   4.509  -3.470
  546   3HG1  VAL  55          3HG1      VAL  55   3.706   4.195  -2.250
  547   1HG2  VAL  55          2HG2      VAL  55   2.025   6.462  -4.669
  548   2HG2  VAL  55          1HG2      VAL  55   2.420   6.240  -2.955
  549   3HG2  VAL  55          3HG2      VAL  55   3.702   6.562  -4.132
  550    QG1  VAL  55           QG1      VAL  55   4.253   3.884  -3.052
  551    QG2  VAL  55           QG2      VAL  55   2.716   6.421  -3.919
  552    QQG  VAL  55           QQG      VAL  55   3.484   5.153  -3.485
  553    H    THR  56           H        THR  56   3.687   5.192  -8.044
  554    HA   THR  56           HA       THR  56   6.380   6.294  -7.328
  555    HB   THR  56           HB       THR  56   6.042   4.410  -9.019
  556    HG1  THR  56          1HG       THR  56   7.661   5.299 -10.355
  557   1HG2  THR  56          2HG2      THR  56   4.201   5.985 -10.209
  558   2HG2  THR  56          1HG2      THR  56   5.620   6.321 -11.188
  559   3HG2  THR  56          3HG2      THR  56   5.063   4.659 -10.991
  560    QG2  THR  56           QG2      THR  56   4.961   5.655 -10.796
  561    H    GLU  57           H        GLU  57   5.718   8.342  -6.588
  562    HA   GLU  57           HA       GLU  57   3.852  10.136  -7.704
  563   1HB   GLU  57          2HB       GLU  57   5.069  10.405  -5.572
  564   2HB   GLU  57          1HB       GLU  57   6.570  10.687  -6.453
  565   1HG   GLU  57          2HG       GLU  57   4.555  12.468  -7.481
  566   2HG   GLU  57          1HG       GLU  57   4.579  12.600  -5.724
  567    QB   GLU  57           QB       GLU  57   5.819  10.546  -6.012
  568    QG   GLU  57           QG       GLU  57   4.567  12.534  -6.603
   
  No H/Q in entry =         568
  Start of MODEL   42
    1   1H    MET   1          1HT       MET   1  -1.097 -16.052   4.678
    2   2H    MET   1          3HT       MET   1  -0.879 -16.674   6.239
    3   3H    MET   1          2HT       MET   1  -2.428 -16.210   5.720
    4    HA   MET   1           HA       MET   1  -1.661 -14.479   7.135
    5   1HB   MET   1          2HB       MET   1   0.595 -13.510   6.703
    6   2HB   MET   1          1HB       MET   1   0.679 -15.231   7.073
    7   1HG   MET   1          2HG       MET   1   1.006 -15.811   4.782
    8   2HG   MET   1          1HG       MET   1   0.548 -14.199   4.233
    9   1HE   MET   1          1HE       MET   1   2.894 -16.579   4.671
   10   2HE   MET   1          3HE       MET   1   4.503 -15.854   4.795
   11   3HE   MET   1          2HE       MET   1   3.569 -16.188   6.250
   12    QB   MET   1           QB       MET   1   0.637 -14.370   6.888
   13    QG   MET   1           QG       MET   1   0.777 -15.005   4.508
   14    QE   MET   1           QE       MET   1   3.655 -16.207   5.239
   15    H    THR   2           H        THR   2  -1.809 -12.170   6.578
   16    HA   THR   2           HA       THR   2  -2.428 -11.661   3.687
   17    HB   THR   2           HB       THR   2  -3.894 -10.604   6.124
   18    HG1  THR   2          1HG       THR   2  -5.449 -12.124   5.597
   19   1HG2  THR   2          1HG2      THR   2  -4.068 -10.166   3.195
   20   2HG2  THR   2          3HG2      THR   2  -5.602 -10.385   4.035
   21   3HG2  THR   2          2HG2      THR   2  -4.508  -9.093   4.523
   22    QG2  THR   2           QG2      THR   2  -4.726  -9.882   3.918
   23    H    THR   3           H        THR   3  -0.017 -11.057   5.481
   24    HA   THR   3           HA       THR   3   0.014  -8.225   6.049
   25    HB   THR   3           HB       THR   3   2.326 -10.089   5.426
   26    HG1  THR   3          1HG       THR   3   1.973 -10.996   7.283
   27   1HG2  THR   3          2HG2      THR   3   2.358  -7.395   5.930
   28   2HG2  THR   3          1HG2      THR   3   2.518  -8.058   7.557
   29   3HG2  THR   3          3HG2      THR   3   3.685  -8.494   6.309
   30    QG2  THR   3           QG2      THR   3   2.854  -7.982   6.599
   31    H    PHE   4           H        PHE   4  -0.569  -6.966   4.262
   32    HA   PHE   4           HA       PHE   4   0.515  -7.461   1.588
   33   1HB   PHE   4          2HB       PHE   4  -1.150  -5.307   2.910
   34   2HB   PHE   4          1HB       PHE   4  -0.688  -5.224   1.210
   35    HD1  PHE   4          1HD       PHE   4  -1.156  -7.395  -0.202
   36    HD2  PHE   4          2HD       PHE   4  -3.105  -6.438   3.501
   37    HE1  PHE   4          1HE       PHE   4  -3.005  -8.943  -0.779
   38    HE2  PHE   4          2HE       PHE   4  -4.956  -7.981   2.923
   39   1HZ   PHE   4           HZ       PHE   4  -4.906  -9.237   0.786
   40    QB   PHE   4           QB       PHE   4  -0.919  -5.265   2.060
   41    QG   PHE   4           QD       PHE   4  -2.130  -6.917   1.649
   42    QZ   PHE   4           QE       PHE   4  -3.981  -8.462   1.072
   43    QZ   PHE   4           QR       PHE   4  -3.426  -7.999   1.246
   44    H    LYS   5           H        LYS   5   2.022  -6.104   0.497
   45    HA   LYS   5           HA       LYS   5   3.716  -4.389   2.287
   46   1HB   LYS   5          2HB       LYS   5   4.389  -6.028  -0.183
   47   2HB   LYS   5          1HB       LYS   5   5.545  -5.057   0.728
   48   1HG   LYS   5          2HG       LYS   5   5.073  -6.410   2.748
   49   2HG   LYS   5          1HG       LYS   5   3.955  -7.401   1.811
   50   1HD   LYS   5          2HD       LYS   5   6.831  -7.028   0.968
   51   2HD   LYS   5          1HD       LYS   5   6.350  -8.303   2.088
   52   1HE   LYS   5          2HE       LYS   5   4.673  -8.109  -0.347
   53   2HE   LYS   5          1HE       LYS   5   6.350  -8.622  -0.623
   54   1HZ   LYS   5          3HZ       LYS   5   6.082 -10.192   1.246
   55   2HZ   LYS   5          2HZ       LYS   5   4.436  -9.778   1.335
   56   3HZ   LYS   5          1HZ       LYS   5   5.049 -10.542  -0.054
   57    QB   LYS   5           QB       LYS   5   4.967  -5.542   0.272
   58    QG   LYS   5           QG       LYS   5   4.514  -6.906   2.280
   59    QD   LYS   5           QD       LYS   5   6.590  -7.665   1.528
   60    QE   LYS   5           QE       LYS   5   5.512  -8.366  -0.485
   61    QZ   LYS   5           QZ       LYS   5   5.189 -10.171   0.842
   62    H    LEU   6           H        LEU   6   4.970  -2.695   0.821
   63    HA   LEU   6           HA       LEU   6   3.364  -1.782  -1.507
   64   1HB   LEU   6          2HB       LEU   6   2.230  -0.870   0.452
   65   2HB   LEU   6          1HB       LEU   6   3.749  -0.239   1.079
   66    HG   LEU   6           HG       LEU   6   3.834   1.035  -1.231
   67   1HD1  LEU   6          2HD1      LEU   6   0.908   0.349  -0.909
   68   2HD1  LEU   6          1HD1      LEU   6   1.494   1.673  -1.916
   69   3HD1  LEU   6          3HD1      LEU   6   1.943   0.012  -2.297
   70   1HD2  LEU   6          2HD2      LEU   6   3.382   1.843   1.243
   71   2HD2  LEU   6          1HD2      LEU   6   3.070   2.927  -0.113
   72   3HD2  LEU   6          3HD2      LEU   6   1.736   2.061   0.648
   73    QB   LEU   6           QB       LEU   6   2.990  -0.554   0.766
   74    QD1  LEU   6           QD1      LEU   6   1.448   0.678  -1.707
   75    QD2  LEU   6           QD2      LEU   6   2.729   2.277   0.593
   76    QQD  LEU   6           QQD      LEU   6   2.089   1.477  -0.557
   77    H    ILE   7           H        ILE   7   4.962  -1.471  -2.995
   78    HA   ILE   7           HA       ILE   7   7.653  -0.544  -2.160
   79    HB   ILE   7           HB       ILE   7   6.441  -1.388  -4.821
   80   1HG1  ILE   7          2HG1      ILE   7   8.373  -2.915  -3.061
   81   2HG1  ILE   7          1HG1      ILE   7   6.624  -3.113  -2.938
   82   1HG2  ILE   7          1HG2      ILE   7   9.326  -0.908  -4.016
   83   2HG2  ILE   7          3HG2      ILE   7   8.803  -1.588  -5.557
   84   3HG2  ILE   7          2HG2      ILE   7   8.385   0.074  -5.140
   85   1HD1  ILE   7          2HD1      ILE   7   8.004  -3.351  -5.604
   86   2HD1  ILE   7          1HD1      ILE   7   7.941  -4.726  -4.501
   87   3HD1  ILE   7          3HD1      ILE   7   6.447  -4.009  -5.104
   88    QG1  ILE   7           QG1      ILE   7   7.498  -3.014  -3.000
   89    QG2  ILE   7           QG2      ILE   7   8.838  -0.807  -4.905
   90    QD1  ILE   7           QD1      ILE   7   7.464  -4.029  -5.070
   91    H    ILE   8           H        ILE   8   7.810   1.687  -1.938
   92    HA   ILE   8           HA       ILE   8   6.092   3.384  -3.653
   93    HB   ILE   8           HB       ILE   8   7.852   3.988  -1.250
   94   1HG1  ILE   8          2HG1      ILE   8   5.550   4.551  -0.275
   95   2HG1  ILE   8          1HG1      ILE   8   4.864   3.752  -1.684
   96   1HG2  ILE   8          1HG2      ILE   8   7.679   5.908  -2.860
   97   2HG2  ILE   8          3HG2      ILE   8   5.921   5.812  -2.722
   98   3HG2  ILE   8          2HG2      ILE   8   6.899   6.237  -1.313
   99   1HD1  ILE   8          1HD1      ILE   8   6.928   2.344  -0.033
  100   2HD1  ILE   8          3HD1      ILE   8   5.244   2.368   0.493
  101   3HD1  ILE   8          2HD1      ILE   8   5.673   1.672  -1.070
  102    QG1  ILE   8           QG1      ILE   8   5.207   4.151  -0.980
  103    QG2  ILE   8           QG2      ILE   8   6.833   5.986  -2.298
  104    QD1  ILE   8           QD1      ILE   8   5.948   2.128  -0.203
  105    H    ASN   9           H        ASN   9   6.992   3.978  -5.600
  106    HA   ASN   9           HA       ASN   9   9.964   4.282  -5.783
  107   1HB   ASN   9          2HB       ASN   9   9.005   2.640  -7.279
  108   2HB   ASN   9          1HB       ASN   9   7.747   3.757  -7.786
  109   1HD2  ASN   9          2HD2      ASN   9   9.725   5.154 -10.347
  110   2HD2  ASN   9          1HD2      ASN   9   8.183   4.985  -9.651
  111    QB   ASN   9           QB       ASN   9   8.376   3.199  -7.533
  112    QD2  ASN   9           QD2      ASN   9   8.954   5.069  -9.999
  113    H    GLY  10           H        GLY  10  10.357   6.435  -5.243
  114   1HA   GLY  10          2HA       GLY  10   9.732   8.500  -7.116
  115   2HA   GLY  10          1HA       GLY  10   8.651   8.646  -5.729
  116    QA   GLY  10           QA       GLY  10   9.192   8.573  -6.422
  117    H    LYS  11           H        LYS  11   9.439   9.562  -3.867
  118    HA   LYS  11           HA       LYS  11  12.353   9.762  -3.401
  119   1HB   LYS  11          2HB       LYS  11  12.228  12.251  -3.346
  120   2HB   LYS  11          1HB       LYS  11  11.842  11.610  -4.942
  121   1HG   LYS  11          2HG       LYS  11   9.397  11.727  -4.301
  122   2HG   LYS  11          1HG       LYS  11   9.889  12.589  -2.843
  123   1HD   LYS  11          2HD       LYS  11  11.064  14.259  -4.335
  124   2HD   LYS  11          1HD       LYS  11  10.303  13.461  -5.714
  125   1HE   LYS  11          2HE       LYS  11   8.687  15.073  -5.296
  126   2HE   LYS  11          1HE       LYS  11   8.112  13.825  -4.173
  127   1HZ   LYS  11          3HZ       LYS  11   9.563  14.794  -2.464
  128   2HZ   LYS  11          2HZ       LYS  11   9.989  16.042  -3.536
  129   3HZ   LYS  11          1HZ       LYS  11   8.386  15.895  -2.991
  130    QB   LYS  11           QB       LYS  11  12.035  11.930  -4.144
  131    QG   LYS  11           QG       LYS  11   9.643  12.158  -3.572
  132    QD   LYS  11           QD       LYS  11  10.683  13.860  -5.024
  133    QE   LYS  11           QE       LYS  11   8.399  14.449  -4.735
  134    QZ   LYS  11           QZ       LYS  11   9.312  15.577  -2.997
  135    H    THR  12           H        THR  12   9.941   8.624  -2.031
  136    HA   THR  12           HA       THR  12  10.335   9.962   0.602
  137    HB   THR  12           HB       THR  12   7.729   9.565   0.788
  138    HG1  THR  12          1HG       THR  12   6.743   9.831  -1.232
  139   1HG2  THR  12          1HG2      THR  12   9.169  11.751   0.643
  140   2HG2  THR  12          3HG2      THR  12   8.533  11.836  -1.000
  141   3HG2  THR  12          2HG2      THR  12   7.427  11.838   0.373
  142    QG2  THR  12           QG2      THR  12   8.376  11.808   0.005
  143    H    LEU  13           H        LEU  13  11.000   8.411   1.949
  144    HA   LEU  13           HA       LEU  13  11.150   6.411   3.105
  145   1HB   LEU  13          2HB       LEU  13   9.096   5.684   3.702
  146   2HB   LEU  13          1HB       LEU  13   8.480   6.896   2.593
  147    HG   LEU  13           HG       LEU  13   8.545   5.090   0.796
  148   1HD1  LEU  13          2HD1      LEU  13   9.459   3.581   3.177
  149   2HD1  LEU  13          1HD1      LEU  13   8.226   2.778   2.205
  150   3HD1  LEU  13          3HD1      LEU  13   9.754   3.261   1.469
  151   1HD2  LEU  13          2HD2      LEU  13   6.507   5.874   2.033
  152   2HD2  LEU  13          1HD2      LEU  13   6.402   4.199   1.489
  153   3HD2  LEU  13          3HD2      LEU  13   6.758   4.558   3.177
  154    QB   LEU  13           QB       LEU  13   8.788   6.290   3.148
  155    QD1  LEU  13           QD1      LEU  13   9.147   3.207   2.284
  156    QD2  LEU  13           QD2      LEU  13   6.556   4.877   2.233
  157    QQD  LEU  13           QQD      LEU  13   7.851   4.042   2.258
  158    H    LYS  14           H        LYS  14   9.989   5.683  -0.259
  159    HA   LYS  14           HA       LYS  14  10.760   4.062  -1.786
  160   1HB   LYS  14          2HB       LYS  14  13.155   5.192  -0.358
  161   2HB   LYS  14          1HB       LYS  14  13.373   3.958  -1.599
  162   1HG   LYS  14          2HG       LYS  14  12.442   5.319  -3.289
  163   2HG   LYS  14          1HG       LYS  14  11.678   6.397  -2.122
  164   1HD   LYS  14          2HD       LYS  14  13.484   7.738  -2.151
  165   2HD   LYS  14          1HD       LYS  14  14.500   6.404  -1.606
  166   1HE   LYS  14          2HE       LYS  14  15.327   6.026  -3.705
  167   2HE   LYS  14          1HE       LYS  14  13.755   6.310  -4.476
  168   1HZ   LYS  14          1HZ       LYS  14  14.016   8.688  -3.943
  169   2HZ   LYS  14          3HZ       LYS  14  15.579   8.376  -3.364
  170   3HZ   LYS  14          2HZ       LYS  14  15.217   8.127  -5.006
  171    QB   LYS  14           QB       LYS  14  13.264   4.575  -0.979
  172    QG   LYS  14           QG       LYS  14  12.060   5.858  -2.705
  173    QD   LYS  14           QD       LYS  14  13.992   7.071  -1.879
  174    QE   LYS  14           QE       LYS  14  14.541   6.168  -4.091
  175    QZ   LYS  14           QZ       LYS  14  14.937   8.397  -4.104
  176    H    GLY  15           H        GLY  15   9.742   2.153  -0.870
  177   1HA   GLY  15          2HA       GLY  15  11.107  -0.128  -0.458
  178   2HA   GLY  15          1HA       GLY  15  11.277   0.608   1.135
  179    QA   GLY  15           QA       GLY  15  11.192   0.240   0.339
  180    H    GLU  16           H        GLU  16  10.062  -1.408   1.760
  181    HA   GLU  16           HA       GLU  16   7.093  -1.012   1.497
  182   1HB   GLU  16          2HB       GLU  16   8.800  -3.516   1.575
  183   2HB   GLU  16          1HB       GLU  16   7.036  -3.527   1.638
  184   1HG   GLU  16          2HG       GLU  16   6.817  -2.932  -0.572
  185   2HG   GLU  16          1HG       GLU  16   8.295  -1.967  -0.566
  186    QB   GLU  16           QB       GLU  16   7.918  -3.522   1.606
  187    QG   GLU  16           QG       GLU  16   7.556  -2.450  -0.569
  188    H    ILE  17           H        ILE  17   5.872  -1.596   3.415
  189    HA   ILE  17           HA       ILE  17   7.530  -1.720   5.912
  190    HB   ILE  17           HB       ILE  17   6.377   0.419   5.539
  191   1HG1  ILE  17          2HG1      ILE  17   4.850  -1.085   7.671
  192   2HG1  ILE  17          1HG1      ILE  17   6.557  -0.679   7.855
  193   1HG2  ILE  17          2HG2      ILE  17   4.068  -1.407   5.034
  194   2HG2  ILE  17          1HG2      ILE  17   3.734   0.133   5.822
  195   3HG2  ILE  17          3HG2      ILE  17   4.504   0.103   4.237
  196   1HD1  ILE  17          2HD1      ILE  17   4.354   1.328   7.288
  197   2HD1  ILE  17          1HD1      ILE  17   5.069   1.038   8.875
  198   3HD1  ILE  17          3HD1      ILE  17   6.055   1.699   7.571
  199    QG1  ILE  17           QG1      ILE  17   5.704  -0.882   7.763
  200    QG2  ILE  17           QG2      ILE  17   4.102  -0.390   5.031
  201    QD1  ILE  17           QD1      ILE  17   5.159   1.355   7.911
  202    H    THR  18           H        THR  18   5.376  -3.504   4.015
  203    HA   THR  18           HA       THR  18   3.989  -5.363   4.405
  204    HB   THR  18           HB       THR  18   5.059  -6.991   5.869
  205    HG1  THR  18          1HG       THR  18   6.677  -6.350   7.279
  206   1HG2  THR  18          2HG2      THR  18   6.450  -5.478   3.863
  207   2HG2  THR  18          1HG2      THR  18   7.596  -5.956   5.116
  208   3HG2  THR  18          3HG2      THR  18   6.637  -7.181   4.286
  209    QG2  THR  18           QG2      THR  18   6.894  -6.205   4.421
  210    H    ILE  19           H        ILE  19   1.961  -4.701   5.090
  211    HA   ILE  19           HA       ILE  19   1.554  -4.500   8.057
  212    HB   ILE  19           HB       ILE  19  -0.127  -2.761   7.600
  213   1HG1  ILE  19          2HG1      ILE  19   0.183  -1.885   5.044
  214   2HG1  ILE  19          1HG1      ILE  19   0.366  -3.619   4.796
  215   1HG2  ILE  19          1HG2      ILE  19   2.416  -2.292   7.773
  216   2HG2  ILE  19          3HG2      ILE  19   2.333  -1.994   6.036
  217   3HG2  ILE  19          2HG2      ILE  19   1.381  -1.009   7.147
  218   1HD1  ILE  19          1HD1      ILE  19  -1.774  -3.672   6.414
  219   2HD1  ILE  19          3HD1      ILE  19  -2.019  -2.077   5.700
  220   3HD1  ILE  19          2HD1      ILE  19  -1.926  -3.501   4.664
  221    QG1  ILE  19           QG1      ILE  19   0.275  -2.752   4.920
  222    QG2  ILE  19           QG2      ILE  19   2.043  -1.765   6.985
  223    QD1  ILE  19           QD1      ILE  19  -1.906  -3.083   5.593
  224    H    GLU  20           H        GLU  20  -0.310  -5.530   8.860
  225    HA   GLU  20           HA       GLU  20  -1.549  -7.535   7.067
  226   1HB   GLU  20          2HB       GLU  20  -0.581  -7.808   9.481
  227   2HB   GLU  20          1HB       GLU  20  -2.117  -7.107   9.996
  228   1HG   GLU  20          2HG       GLU  20  -3.099  -8.930   8.317
  229   2HG   GLU  20          1HG       GLU  20  -1.578  -9.742   8.691
  230    QB   GLU  20           QB       GLU  20  -1.349  -7.458   9.739
  231    QG   GLU  20           QG       GLU  20  -2.338  -9.336   8.504
  232    H    ALA  21           H        ALA  21  -3.888  -7.739   6.914
  233    HA   ALA  21           HA       ALA  21  -5.670  -5.705   8.006
  234   1HB   ALA  21          3HB       ALA  21  -4.566  -5.555   5.209
  235   2HB   ALA  21          2HB       ALA  21  -6.180  -4.930   5.549
  236   3HB   ALA  21          1HB       ALA  21  -4.779  -4.257   6.385
  237    QB   ALA  21           QB       ALA  21  -5.175  -4.914   5.714
  238    H    VAL  22           H        VAL  22  -7.919  -6.001   7.074
  239    HA   VAL  22           HA       VAL  22  -8.788  -8.672   7.105
  240    HB   VAL  22           HB       VAL  22 -10.192  -6.689   7.497
  241   1HG1  VAL  22          3HG1      VAL  22  -9.035  -5.432   5.534
  242   2HG1  VAL  22          2HG1      VAL  22 -10.250  -6.210   4.522
  243   3HG1  VAL  22          1HG1      VAL  22 -10.748  -5.129   5.823
  244   1HG2  VAL  22          2HG2      VAL  22 -11.184  -8.885   6.676
  245   2HG2  VAL  22          1HG2      VAL  22 -12.179  -7.457   6.390
  246   3HG2  VAL  22          3HG2      VAL  22 -11.246  -8.162   5.069
  247    QG1  VAL  22           QG1      VAL  22 -10.011  -5.590   5.293
  248    QG2  VAL  22           QG2      VAL  22 -11.536  -8.168   6.045
  249    QQG  VAL  22           QQG      VAL  22 -10.774  -6.879   5.669
  250    H    ASP  23           H        ASP  23  -7.978  -6.618   4.313
  251    HA   ASP  23           HA       ASP  23  -7.455  -8.980   2.645
  252   1HB   ASP  23          2HB       ASP  23  -9.950  -7.361   2.539
  253   2HB   ASP  23          1HB       ASP  23  -9.222  -7.768   0.983
  254    QB   ASP  23           QB       ASP  23  -9.586  -7.565   1.761
  255    H    ALA  24           H        ALA  24  -6.910  -8.120   0.306
  256    HA   ALA  24           HA       ALA  24  -4.832  -6.171   0.504
  257   1HB   ALA  24          3HB       ALA  24  -5.440  -8.063  -1.248
  258   2HB   ALA  24          2HB       ALA  24  -6.264  -6.740  -2.074
  259   3HB   ALA  24          1HB       ALA  24  -4.530  -6.641  -1.761
  260    QB   ALA  24           QB       ALA  24  -5.411  -7.148  -1.694
  261    H    ALA  25           H        ALA  25  -8.257  -5.896  -0.321
  262    HA   ALA  25           HA       ALA  25  -8.314  -3.315  -1.472
  263   1HB   ALA  25          2HB       ALA  25 -10.111  -5.244  -0.884
  264   2HB   ALA  25          1HB       ALA  25 -10.474  -4.109   0.416
  265   3HB   ALA  25          3HB       ALA  25 -10.592  -3.591  -1.265
  266    QB   ALA  25           QB       ALA  25 -10.392  -4.315  -0.578
  267    H    GLU  26           H        GLU  26  -8.615  -4.285   1.951
  268    HA   GLU  26           HA       GLU  26  -8.772  -1.596   3.001
  269   1HB   GLU  26          2HB       GLU  26  -8.823  -4.316   3.915
  270   2HB   GLU  26          1HB       GLU  26  -7.624  -3.453   4.877
  271   1HG   GLU  26          2HG       GLU  26  -9.740  -3.197   5.994
  272   2HG   GLU  26          1HG       GLU  26  -9.365  -1.647   5.242
  273    QB   GLU  26           QB       GLU  26  -8.224  -3.884   4.396
  274    QG   GLU  26           QG       GLU  26  -9.552  -2.422   5.618
  275    H    ALA  27           H        ALA  27  -6.108  -3.890   2.453
  276    HA   ALA  27           HA       ALA  27  -3.985  -2.422   3.667
  277   1HB   ALA  27          1HB       ALA  27  -4.353  -4.555   1.647
  278   2HB   ALA  27          3HB       ALA  27  -2.835  -3.666   1.508
  279   3HB   ALA  27          2HB       ALA  27  -3.242  -4.487   3.017
  280    QB   ALA  27           QB       ALA  27  -3.477  -4.236   2.058
  281    H    GLU  28           H        GLU  28  -5.346  -2.274   0.368
  282    HA   GLU  28           HA       GLU  28  -3.532  -0.366  -0.741
  283   1HB   GLU  28          2HB       GLU  28  -5.395  -1.815  -1.821
  284   2HB   GLU  28          1HB       GLU  28  -6.492  -0.519  -1.345
  285   1HG   GLU  28          2HG       GLU  28  -4.568   0.970  -2.490
  286   2HG   GLU  28          1HG       GLU  28  -4.345  -0.513  -3.416
  287    QB   GLU  28           QB       GLU  28  -5.944  -1.167  -1.583
  288    QG   GLU  28           QG       GLU  28  -4.456   0.229  -2.953
  289    H    LYS  29           H        LYS  29  -6.472  -0.001   1.213
  290    HA   LYS  29           HA       LYS  29  -6.607   2.896   1.036
  291   1HB   LYS  29          2HB       LYS  29  -7.686   0.834   2.990
  292   2HB   LYS  29          1HB       LYS  29  -8.137   2.539   3.020
  293   1HG   LYS  29          2HG       LYS  29  -8.550   1.946   0.385
  294   2HG   LYS  29          1HG       LYS  29  -8.952   0.404   1.140
  295   1HD   LYS  29          2HD       LYS  29 -10.993   1.616   1.132
  296   2HD   LYS  29          1HD       LYS  29 -10.384   1.779   2.780
  297   1HE   LYS  29          2HE       LYS  29 -10.956   4.001   2.223
  298   2HE   LYS  29          1HE       LYS  29  -9.224   3.953   1.840
  299   1HZ   LYS  29          1HZ       LYS  29  -9.864   3.231  -0.435
  300   2HZ   LYS  29          3HZ       LYS  29 -11.485   3.538  -0.040
  301   3HZ   LYS  29          2HZ       LYS  29 -10.361   4.812  -0.058
  302    QB   LYS  29           QB       LYS  29  -7.911   1.687   3.005
  303    QG   LYS  29           QG       LYS  29  -8.751   1.175   0.762
  304    QD   LYS  29           QD       LYS  29 -10.689   1.697   1.956
  305    QE   LYS  29           QE       LYS  29 -10.090   3.977   2.031
  306    QZ   LYS  29           QZ       LYS  29 -10.570   3.860  -0.178
  307    H    ILE  30           H        ILE  30  -5.389   0.610   3.504
  308    HA   ILE  30           HA       ILE  30  -4.362   2.532   5.360
  309    HB   ILE  30           HB       ILE  30  -3.406  -0.267   4.633
  310   1HG1  ILE  30          2HG1      ILE  30  -5.168   0.440   6.968
  311   2HG1  ILE  30          1HG1      ILE  30  -5.881   0.199   5.373
  312   1HG2  ILE  30          2HG2      ILE  30  -2.801   1.602   6.911
  313   2HG2  ILE  30          1HG2      ILE  30  -2.788  -0.141   7.184
  314   3HG2  ILE  30          3HG2      ILE  30  -1.699   0.573   5.994
  315   1HD1  ILE  30          1HD1      ILE  30  -3.927  -1.867   6.211
  316   2HD1  ILE  30          3HD1      ILE  30  -5.430  -1.825   7.136
  317   3HD1  ILE  30          2HD1      ILE  30  -5.478  -2.048   5.388
  318    QG1  ILE  30           QG1      ILE  30  -5.525   0.319   6.170
  319    QG2  ILE  30           QG2      ILE  30  -2.429   0.678   6.696
  320    QD1  ILE  30           QD1      ILE  30  -4.945  -1.914   6.245
  321    H    PHE  31           H        PHE  31  -2.976   0.991   2.491
  322    HA   PHE  31           HA       PHE  31  -0.343   2.206   2.754
  323   1HB   PHE  31          2HB       PHE  31  -1.905   0.643   0.714
  324   2HB   PHE  31          1HB       PHE  31  -0.402   1.423   0.224
  325    HD1  PHE  31          1HD       PHE  31   1.398   1.184   2.416
  326    HD2  PHE  31          2HD       PHE  31  -1.569  -1.621   1.085
  327    HE1  PHE  31          1HE       PHE  31   2.694  -0.668   3.432
  328    HE2  PHE  31          2HE       PHE  31  -0.271  -3.473   2.103
  329   1HZ   PHE  31           HZ       PHE  31   1.861  -2.996   3.276
  330    QB   PHE  31           QB       PHE  31  -1.154   1.033   0.469
  331    QG   PHE  31           QD       PHE  31  -0.085  -0.218   1.751
  332    QZ   PHE  31           QE       PHE  31   1.211  -2.071   2.767
  333    QZ   PHE  31           QR       PHE  31   0.823  -1.515   2.462
  334    H    LYS  32           H        LYS  32  -3.313   2.925   0.930
  335    HA   LYS  32           HA       LYS  32  -2.227   5.167  -0.507
  336   1HB   LYS  32          2HB       LYS  32  -4.961   4.064   0.070
  337   2HB   LYS  32          1HB       LYS  32  -4.772   5.589  -0.793
  338   1HG   LYS  32          2HG       LYS  32  -3.493   4.549  -2.539
  339   2HG   LYS  32          1HG       LYS  32  -3.354   3.046  -1.625
  340   1HD   LYS  32          2HD       LYS  32  -5.070   2.715  -3.286
  341   2HD   LYS  32          1HD       LYS  32  -5.880   2.867  -1.725
  342   1HE   LYS  32          2HE       LYS  32  -5.996   5.427  -2.348
  343   2HE   LYS  32          1HE       LYS  32  -5.787   4.827  -4.005
  344   1HZ   LYS  32          3HZ       LYS  32  -7.589   3.241  -3.592
  345   2HZ   LYS  32          2HZ       LYS  32  -7.826   3.904  -2.046
  346   3HZ   LYS  32          1HZ       LYS  32  -8.124   4.842  -3.432
  347    QB   LYS  32           QB       LYS  32  -4.866   4.827  -0.362
  348    QG   LYS  32           QG       LYS  32  -3.423   3.798  -2.082
  349    QD   LYS  32           QD       LYS  32  -5.475   2.791  -2.506
  350    QE   LYS  32           QE       LYS  32  -5.892   5.127  -3.177
  351    QZ   LYS  32           QZ       LYS  32  -7.846   3.995  -3.024
  352    H    GLN  33           H        GLN  33  -2.873   4.837   2.779
  353    HA   GLN  33           HA       GLN  33  -3.532   7.759   3.100
  354   1HB   GLN  33          2HB       GLN  33  -5.066   6.073   4.162
  355   2HB   GLN  33          1HB       GLN  33  -3.686   5.400   5.032
  356   1HG   GLN  33          2HG       GLN  33  -3.339   7.502   6.207
  357   2HG   GLN  33          1HG       GLN  33  -4.606   8.280   5.259
  358   1HE2  GLN  33          2HE2      GLN  33  -5.626   6.256   8.570
  359   2HE2  GLN  33          1HE2      GLN  33  -4.019   6.642   8.179
  360    QB   GLN  33           QB       GLN  33  -4.376   5.736   4.597
  361    QG   GLN  33           QG       GLN  33  -3.973   7.891   5.733
  362    QE2  GLN  33           QE2      GLN  33  -4.823   6.449   8.374
  363    H    TYR  34           H        TYR  34  -1.623   5.030   4.137
  364    HA   TYR  34           HA       TYR  34   0.385   6.136   5.758
  365   1HB   TYR  34          2HB       TYR  34   0.057   3.796   5.460
  366   2HB   TYR  34          1HB       TYR  34   0.081   3.941   3.702
  367    HD1  TYR  34          1HD       TYR  34   2.144   3.935   6.796
  368    HD2  TYR  34          2HD       TYR  34   2.209   3.943   2.500
  369    HE1  TYR  34          1HE       TYR  34   4.564   3.401   6.831
  370    HE2  TYR  34          2HE       TYR  34   4.630   3.408   2.537
  371    HH   TYR  34           HH       TYR  34   6.249   2.426   5.404
  372    QB   TYR  34           QB       TYR  34   0.069   3.868   4.581
  373    QG   TYR  34           QD       TYR  34   2.176   3.939   4.648
  374    QZ   TYR  34           QE       TYR  34   4.597   3.405   4.684
  375    QR   TYR  34           QR       TYR  34   3.387   3.672   4.666
  376    H    ALA  35           H        ALA  35   0.082   6.025   2.205
  377    HA   ALA  35           HA       ALA  35   2.686   7.120   1.551
  378   1HB   ALA  35          3HB       ALA  35   0.139   6.403   0.232
  379   2HB   ALA  35          2HB       ALA  35   0.952   7.790  -0.510
  380   3HB   ALA  35          1HB       ALA  35   1.798   6.237  -0.375
  381    QB   ALA  35           QB       ALA  35   0.963   6.810  -0.218
  382    H    ASN  36           H        ASN  36  -0.545   8.611   1.171
  383    HA   ASN  36           HA       ASN  36   0.272  11.301   0.882
  384   1HB   ASN  36          2HB       ASN  36  -2.217   9.985   1.982
  385   2HB   ASN  36          1HB       ASN  36  -2.113  11.722   1.692
  386   1HD2  ASN  36          2HD2      ASN  36  -2.467   9.165  -1.469
  387   2HD2  ASN  36          1HD2      ASN  36  -2.246   8.564   0.103
  388    QB   ASN  36           QB       ASN  36  -2.165  10.854   1.837
  389    QD2  ASN  36           QD2      ASN  36  -2.357   8.865  -0.683
  390    H    ASP  37           H        ASP  37  -0.607   9.544   3.863
  391    HA   ASP  37           HA       ASP  37  -0.626  11.572   5.768
  392   1HB   ASP  37          2HB       ASP  37   0.279   8.717   5.725
  393   2HB   ASP  37          1HB       ASP  37   0.509   9.659   7.198
  394    QB   ASP  37           QB       ASP  37   0.394   9.188   6.462
  395    H    ASN  38           H        ASN  38   2.135  10.249   4.125
  396    HA   ASN  38           HA       ASN  38   3.992  11.894   5.733
  397   1HB   ASN  38          2HB       ASN  38   4.324   9.403   5.328
  398   2HB   ASN  38          1HB       ASN  38   4.592   9.803   3.630
  399   1HD2  ASN  38          2HD2      ASN  38   7.973  10.525   4.239
  400   2HD2  ASN  38          1HD2      ASN  38   6.791   9.917   3.184
  401    QB   ASN  38           QB       ASN  38   4.458   9.603   4.479
  402    QD2  ASN  38           QD2      ASN  38   7.382  10.221   3.712
  403    H    GLY  39           H        GLY  39   3.082  11.140   2.389
  404   1HA   GLY  39          2HA       GLY  39   2.736  13.303   1.006
  405   2HA   GLY  39          1HA       GLY  39   4.410  13.647   1.463
  406    QA   GLY  39           QA       GLY  39   3.573  13.475   1.235
  407    H    ILE  40           H        ILE  40   2.524  10.885   0.170
  408    HA   ILE  40           HA       ILE  40   4.849  10.270  -1.629
  409    HB   ILE  40           HB       ILE  40   2.718   8.623  -0.312
  410   1HG1  ILE  40          2HG1      ILE  40   5.028   9.740   0.796
  411   2HG1  ILE  40          1HG1      ILE  40   4.072   8.450   1.495
  412   1HG2  ILE  40          3HG2      ILE  40   3.438   7.684  -2.488
  413   2HG2  ILE  40          2HG2      ILE  40   5.094   7.636  -1.882
  414   3HG2  ILE  40          1HG2      ILE  40   3.845   6.647  -1.119
  415   1HD1  ILE  40          3HD1      ILE  40   6.284   7.937  -0.481
  416   2HD1  ILE  40          2HD1      ILE  40   6.566   8.013   1.263
  417   3HD1  ILE  40          1HD1      ILE  40   5.492   6.780   0.594
  418    QG1  ILE  40           QG1      ILE  40   4.550   9.095   1.146
  419    QG2  ILE  40           QG2      ILE  40   4.126   7.323  -1.830
  420    QD1  ILE  40           QD1      ILE  40   6.114   7.576   0.459
  421    H    ASP  41           H        ASP  41   4.379  10.186  -3.808
  422    HA   ASP  41           HA       ASP  41   1.504  10.109  -4.666
  423   1HB   ASP  41          2HB       ASP  41   3.773  11.961  -5.381
  424   2HB   ASP  41          1HB       ASP  41   2.466  11.685  -6.534
  425    QB   ASP  41           QB       ASP  41   3.120  11.823  -5.957
  426    H    GLY  42           H        GLY  42   1.420   9.469  -7.103
  427   1HA   GLY  42          2HA       GLY  42   3.143   8.477  -8.809
  428   2HA   GLY  42          1HA       GLY  42   3.414   7.323  -7.508
  429    QA   GLY  42           QA       GLY  42   3.279   7.900  -8.159
  430    H    GLU  43           H        GLU  43   2.736   6.139  -9.729
  431    HA   GLU  43           HA       GLU  43  -0.168   5.896 -10.127
  432   1HB   GLU  43          2HB       GLU  43   1.546   5.679 -11.916
  433   2HB   GLU  43          1HB       GLU  43   2.211   4.268 -11.087
  434   1HG   GLU  43          2HG       GLU  43   0.772   3.381 -12.766
  435   2HG   GLU  43          1HG       GLU  43  -0.144   3.257 -11.263
  436    QB   GLU  43           QB       GLU  43   1.879   4.973 -11.501
  437    QG   GLU  43           QG       GLU  43   0.314   3.319 -12.015
  438    H    TRP  44           H        TRP  44  -1.373   4.754  -8.632
  439    HA   TRP  44           HA       TRP  44  -0.158   2.776  -6.838
  440   1HB   TRP  44          2HB       TRP  44  -2.844   4.036  -7.302
  441   2HB   TRP  44          1HB       TRP  44  -2.745   2.565  -6.321
  442    HD1  TRP  44           HD       TRP  44  -1.670   6.225  -6.345
  443    HE1  TRP  44          1HE       TRP  44  -0.746   6.815  -4.009
  444    HE3  TRP  44          3HE       TRP  44  -1.669   1.593  -4.240
  445    HZ2  TRP  44          2HZ       TRP  44  -0.083   5.476  -1.564
  446    HZ3  TRP  44          3HZ       TRP  44  -0.884   1.270  -1.906
  447    HH2  TRP  44           HH       TRP  44  -0.083   3.203  -0.578
  448    QB   TRP  44           QB       TRP  44  -2.794   3.300  -6.811
  449    H    THR  45           H        THR  45  -0.018   0.648  -7.190
  450    HA   THR  45           HA       THR  45  -1.889  -0.688  -9.088
  451    HB   THR  45           HB       THR  45  -0.079  -1.619 -10.360
  452    HG1  THR  45          1HG       THR  45   1.693  -2.020  -9.352
  453   1HG2  THR  45          1HG2      THR  45  -0.587   0.742 -10.904
  454   2HG2  THR  45          3HG2      THR  45   0.654   1.254  -9.758
  455   3HG2  THR  45          2HG2      THR  45   1.107   0.352 -11.208
  456    QG2  THR  45           QG2      THR  45   0.391   0.783 -10.623
  457    H    TYR  46           H        TYR  46  -2.481  -2.661  -8.283
  458    HA   TYR  46           HA       TYR  46  -1.149  -3.602  -5.794
  459   1HB   TYR  46          2HB       TYR  46  -3.544  -3.331  -5.702
  460   2HB   TYR  46          1HB       TYR  46  -3.764  -4.237  -7.203
  461    HD1  TYR  46          1HD       TYR  46  -1.884  -4.791  -3.996
  462    HD2  TYR  46          2HD       TYR  46  -4.669  -6.360  -6.863
  463    HE1  TYR  46          1HE       TYR  46  -2.012  -6.905  -2.712
  464    HE2  TYR  46          2HE       TYR  46  -4.797  -8.477  -5.576
  465    HH   TYR  46           HH       TYR  46  -3.115  -9.704  -3.885
  466    QB   TYR  46           QB       TYR  46  -3.654  -3.784  -6.453
  467    QG   TYR  46           QD       TYR  46  -3.276  -5.576  -5.430
  468    QZ   TYR  46           QE       TYR  46  -3.404  -7.691  -4.144
  469    QR   TYR  46           QR       TYR  46  -3.340  -6.633  -4.787
  470    H    ASP  47           H        ASP  47  -0.224  -5.680  -5.664
  471    HA   ASP  47           HA       ASP  47   0.171  -7.107  -8.273
  472   1HB   ASP  47          2HB       ASP  47   1.910  -6.839  -5.798
  473   2HB   ASP  47          1HB       ASP  47   2.319  -7.837  -7.193
  474    QB   ASP  47           QB       ASP  47   2.114  -7.338  -6.495
  475    H    ASP  48           H        ASP  48  -1.462  -8.666  -8.133
  476    HA   ASP  48           HA       ASP  48  -2.201 -10.038  -5.702
  477   1HB   ASP  48          2HB       ASP  48  -3.492 -11.449  -7.293
  478   2HB   ASP  48          1HB       ASP  48  -3.691  -9.729  -7.626
  479    QB   ASP  48           QB       ASP  48  -3.591 -10.589  -7.459
  480    H    ALA  49           H        ALA  49   0.590 -10.380  -7.578
  481    HA   ALA  49           HA       ALA  49   0.876 -13.296  -7.232
  482   1HB   ALA  49          2HB       ALA  49   1.644 -11.634  -9.168
  483   2HB   ALA  49          1HB       ALA  49   3.058 -11.448  -8.130
  484   3HB   ALA  49          3HB       ALA  49   2.621 -13.042  -8.748
  485    QB   ALA  49           QB       ALA  49   2.441 -12.041  -8.682
  486    H    THR  50           H        THR  50   1.926 -10.279  -5.753
  487    HA   THR  50           HA       THR  50   3.402 -11.868  -3.682
  488    HB   THR  50           HB       THR  50   5.011  -9.965  -3.637
  489    HG1  THR  50          1HG       THR  50   4.788  -8.324  -5.064
  490   1HG2  THR  50          2HG2      THR  50   5.042 -12.025  -5.307
  491   2HG2  THR  50          1HG2      THR  50   4.820 -10.758  -6.514
  492   3HG2  THR  50          3HG2      THR  50   6.228 -10.727  -5.452
  493    QG2  THR  50           QG2      THR  50   5.364 -11.170  -5.758
  494    H    LYS  51           H        LYS  51   0.678 -10.127  -4.188
  495    HA   LYS  51           HA       LYS  51  -0.747  -8.847  -2.813
  496   1HB   LYS  51          2HB       LYS  51   1.072 -10.051  -0.695
  497   2HB   LYS  51          1HB       LYS  51  -0.538  -9.392  -0.412
  498   1HG   LYS  51          2HG       LYS  51  -0.295 -11.498  -2.510
  499   2HG   LYS  51          1HG       LYS  51  -0.123 -12.012  -0.832
  500   1HD   LYS  51          2HD       LYS  51  -2.275 -10.905  -0.289
  501   2HD   LYS  51          1HD       LYS  51  -2.455 -10.456  -1.986
  502   1HE   LYS  51          2HE       LYS  51  -2.024 -13.101  -2.302
  503   2HE   LYS  51          1HE       LYS  51  -2.779 -13.122  -0.697
  504   1HZ   LYS  51          1HZ       LYS  51  -3.844 -11.693  -3.076
  505   2HZ   LYS  51          3HZ       LYS  51  -4.446 -13.158  -2.472
  506   3HZ   LYS  51          2HZ       LYS  51  -4.564 -11.745  -1.538
  507    QB   LYS  51           QB       LYS  51   0.267  -9.721  -0.553
  508    QG   LYS  51           QG       LYS  51  -0.209 -11.755  -1.671
  509    QD   LYS  51           QD       LYS  51  -2.365 -10.680  -1.137
  510    QE   LYS  51           QE       LYS  51  -2.402 -13.111  -1.500
  511    QZ   LYS  51           QZ       LYS  51  -4.285 -12.199  -2.362
  512    H    THR  52           H        THR  52   1.452  -7.424  -3.953
  513    HA   THR  52           HA       THR  52   2.072  -5.471  -1.748
  514    HB   THR  52           HB       THR  52   3.773  -6.294  -4.121
  515    HG1  THR  52          1HG       THR  52   4.351  -7.854  -2.875
  516   1HG2  THR  52          2HG2      THR  52   3.896  -3.929  -2.829
  517   2HG2  THR  52          1HG2      THR  52   4.891  -4.901  -1.746
  518   3HG2  THR  52          3HG2      THR  52   5.328  -4.752  -3.448
  519    QG2  THR  52           QG2      THR  52   4.705  -4.527  -2.674
  520    H    PHE  53           H        PHE  53   1.493  -3.384  -2.173
  521    HA   PHE  53           HA       PHE  53   0.342  -2.704  -4.815
  522   1HB   PHE  53          2HB       PHE  53   0.511  -1.354  -2.105
  523   2HB   PHE  53          1HB       PHE  53  -0.279  -0.612  -3.497
  524    HD1  PHE  53          2HD       PHE  53  -0.350  -3.523  -1.180
  525    HD2  PHE  53          1HD       PHE  53  -2.448  -1.343  -4.240
  526    HE1  PHE  53          2HE       PHE  53  -2.408  -4.824  -0.700
  527    HE2  PHE  53          1HE       PHE  53  -4.496  -2.652  -3.756
  528   1HZ   PHE  53           HZ       PHE  53  -4.477  -4.389  -1.989
  529    QB   PHE  53           QB       PHE  53   0.116  -0.983  -2.801
  530    QG   PHE  53           QD       PHE  53  -1.399  -2.433  -2.710
  531    QZ   PHE  53           QE       PHE  53  -3.452  -3.738  -2.228
  532    QZ   PHE  53           QR       PHE  53  -2.836  -3.346  -2.373
  533    H    THR  54           H        THR  54   1.043  -0.146  -5.421
  534    HA   THR  54           HA       THR  54   3.869   0.403  -4.820
  535    HB   THR  54           HB       THR  54   2.977  -0.437  -7.601
  536    HG1  THR  54          1HG       THR  54   4.547  -1.742  -5.639
  537   1HG2  THR  54          1HG2      THR  54   5.599   0.503  -6.443
  538   2HG2  THR  54          3HG2      THR  54   5.525  -0.438  -7.933
  539   3HG2  THR  54          2HG2      THR  54   4.731   1.134  -7.842
  540    QG2  THR  54           QG2      THR  54   5.285   0.400  -7.406
  541    H    VAL  55           H        VAL  55   4.002   2.601  -4.835
  542    HA   VAL  55           HA       VAL  55   2.146   4.111  -6.642
  543    HB   VAL  55           HB       VAL  55   1.388   4.655  -4.500
  544   1HG1  VAL  55          2HG1      VAL  55   3.079   3.353  -3.258
  545   2HG1  VAL  55          1HG1      VAL  55   4.226   4.696  -3.432
  546   3HG1  VAL  55          3HG1      VAL  55   2.739   4.916  -2.488
  547   1HG2  VAL  55          2HG2      VAL  55   2.141   6.729  -5.691
  548   2HG2  VAL  55          1HG2      VAL  55   2.086   6.891  -3.934
  549   3HG2  VAL  55          3HG2      VAL  55   3.632   6.667  -4.753
  550    QG1  VAL  55           QG1      VAL  55   3.348   4.322  -3.059
  551    QG2  VAL  55           QG2      VAL  55   2.620   6.762  -4.793
  552    QQG  VAL  55           QQG      VAL  55   2.984   5.542  -3.926
  553    H    THR  56           H        THR  56   3.595   4.193  -8.365
  554    HA   THR  56           HA       THR  56   6.355   5.118  -7.979
  555    HB   THR  56           HB       THR  56   4.826   3.550  -9.807
  556    HG1  THR  56          1HG       THR  56   6.729   2.765  -9.485
  557   1HG2  THR  56          2HG2      THR  56   6.191   5.871 -11.195
  558   2HG2  THR  56          1HG2      THR  56   5.672   4.388 -11.997
  559   3HG2  THR  56          3HG2      THR  56   4.470   5.459 -11.267
  560    QG2  THR  56           QG2      THR  56   5.444   5.239 -11.486
  561    H    GLU  57           H        GLU  57   6.462   7.276  -7.423
  562    HA   GLU  57           HA       GLU  57   4.720   9.386  -8.051
  563   1HB   GLU  57          2HB       GLU  57   6.786   9.247  -6.518
  564   2HB   GLU  57          1HB       GLU  57   7.732   9.650  -7.951
  565   1HG   GLU  57          2HG       GLU  57   6.476  11.720  -8.250
  566   2HG   GLU  57          1HG       GLU  57   5.419  11.305  -6.901
  567    QB   GLU  57           QB       GLU  57   7.259   9.449  -7.234
  568    QG   GLU  57           QG       GLU  57   5.947  11.512  -7.575
   
  No H/Q in entry =         568
  Start of MODEL   43
    1   1H    MET   1          3HT       MET   1  -4.196 -15.646   7.006
    2   2H    MET   1          2HT       MET   1  -3.818 -15.828   8.652
    3   3H    MET   1          1HT       MET   1  -4.675 -14.461   8.120
    4    HA   MET   1           HA       MET   1  -2.366 -13.873   8.546
    5   1HB   MET   1          2HB       MET   1  -1.665 -16.265   8.165
    6   2HB   MET   1          1HB       MET   1  -1.830 -15.982   6.431
    7   1HG   MET   1          2HG       MET   1  -0.074 -14.382   6.416
    8   2HG   MET   1          1HG       MET   1  -0.097 -14.224   8.172
    9   1HE   MET   1          2HE       MET   1  -0.085 -16.051   9.599
   10   2HE   MET   1          1HE       MET   1   0.595 -17.657   9.359
   11   3HE   MET   1          3HE       MET   1   1.647 -16.303   9.794
   12    QB   MET   1           QB       MET   1  -1.748 -16.123   7.298
   13    QG   MET   1           QG       MET   1  -0.086 -14.303   7.294
   14    QE   MET   1           QE       MET   1   0.719 -16.670   9.584
   15    H    THR   2           H        THR   2  -3.184 -11.926   7.627
   16    HA   THR   2           HA       THR   2  -3.129 -11.758   4.630
   17    HB   THR   2           HB       THR   2  -4.615 -10.110   6.703
   18    HG1  THR   2          1HG       THR   2  -5.590 -12.054   6.592
   19   1HG2  THR   2          1HG2      THR   2  -4.297  -9.941   3.737
   20   2HG2  THR   2          3HG2      THR   2  -5.886  -9.584   4.414
   21   3HG2  THR   2          2HG2      THR   2  -4.480  -8.645   4.920
   22    QG2  THR   2           QG2      THR   2  -4.888  -9.390   4.357
   23    H    THR   3           H        THR   3  -0.807 -11.277   4.640
   24    HA   THR   3           HA       THR   3  -0.091  -8.639   5.859
   25    HB   THR   3           HB       THR   3   1.736 -10.805   4.790
   26    HG1  THR   3          1HG       THR   3   1.265 -11.877   6.510
   27   1HG2  THR   3          3HG2      THR   3   2.275  -8.201   5.510
   28   2HG2  THR   3          2HG2      THR   3   2.570  -9.071   7.017
   29   3HG2  THR   3          1HG2      THR   3   3.445  -9.522   5.555
   30    QG2  THR   3           QG2      THR   3   2.763  -8.931   6.027
   31    H    PHE   4           H        PHE   4  -0.040  -6.974   4.421
   32    HA   PHE   4           HA       PHE   4   0.494  -7.606   1.532
   33   1HB   PHE   4          2HB       PHE   4  -1.212  -5.596   2.987
   34   2HB   PHE   4          1HB       PHE   4  -0.722  -5.301   1.321
   35    HD1  PHE   4          1HD       PHE   4  -1.031  -7.373  -0.305
   36    HD2  PHE   4          2HD       PHE   4  -3.185  -6.793   3.371
   37    HE1  PHE   4          1HE       PHE   4  -2.805  -8.910  -1.100
   38    HE2  PHE   4          2HE       PHE   4  -4.948  -8.335   2.564
   39   1HZ   PHE   4           HZ       PHE   4  -4.762  -9.395   0.336
   40    QB   PHE   4           QB       PHE   4  -0.967  -5.449   2.154
   41    QG   PHE   4           QD       PHE   4  -2.108  -7.083   1.533
   42    QZ   PHE   4           QE       PHE   4  -3.877  -8.623   0.732
   43    QZ   PHE   4           QR       PHE   4  -3.346  -8.161   0.973
   44    H    LYS   5           H        LYS   5   2.407  -6.828   0.765
   45    HA   LYS   5           HA       LYS   5   3.956  -4.898   2.393
   46   1HB   LYS   5          2HB       LYS   5   4.445  -6.760   0.076
   47   2HB   LYS   5          1HB       LYS   5   5.616  -5.494   0.438
   48   1HG   LYS   5          2HG       LYS   5   6.385  -6.574   2.275
   49   2HG   LYS   5          1HG       LYS   5   4.757  -6.964   2.830
   50   1HD   LYS   5          2HD       LYS   5   5.731  -8.425   0.426
   51   2HD   LYS   5          1HD       LYS   5   6.476  -8.849   1.968
   52   1HE   LYS   5          2HE       LYS   5   4.491  -9.674   2.856
   53   2HE   LYS   5          1HE       LYS   5   3.483  -8.624   1.841
   54   1HZ   LYS   5          1HZ       LYS   5   5.154 -10.879   0.859
   55   2HZ   LYS   5          3HZ       LYS   5   3.468 -10.916   1.031
   56   3HZ   LYS   5          2HZ       LYS   5   4.182  -9.870  -0.101
   57    QB   LYS   5           QB       LYS   5   5.031  -6.127   0.257
   58    QG   LYS   5           QG       LYS   5   5.571  -6.769   2.553
   59    QD   LYS   5           QD       LYS   5   6.104  -8.637   1.197
   60    QE   LYS   5           QE       LYS   5   3.987  -9.149   2.349
   61    QZ   LYS   5           QZ       LYS   5   4.268 -10.555   0.596
   62    H    LEU   6           H        LEU   6   5.161  -3.146   0.984
   63    HA   LEU   6           HA       LEU   6   3.560  -2.206  -1.333
   64   1HB   LEU   6          2HB       LEU   6   2.620  -1.477   1.003
   65   2HB   LEU   6          1HB       LEU   6   3.979  -0.364   1.014
   66    HG   LEU   6           HG       LEU   6   1.493  -0.317  -0.633
   67   1HD1  LEU   6          2HD1      LEU   6   2.674   1.285   1.285
   68   2HD1  LEU   6          1HD1      LEU   6   3.053   2.140  -0.207
   69   3HD1  LEU   6          3HD1      LEU   6   1.377   1.782   0.201
   70   1HD2  LEU   6          2HD2      LEU   6   4.138   0.720  -1.729
   71   2HD2  LEU   6          1HD2      LEU   6   3.189  -0.595  -2.421
   72   3HD2  LEU   6          3HD2      LEU   6   2.547   1.048  -2.417
   73    QB   LEU   6           QB       LEU   6   3.299  -0.920   1.009
   74    QD1  LEU   6           QD1      LEU   6   2.368   1.736   0.426
   75    QD2  LEU   6           QD2      LEU   6   3.291   0.391  -2.189
   76    QQD  LEU   6           QQD      LEU   6   2.830   1.064  -0.881
   77    H    ILE   7           H        ILE   7   5.201  -1.808  -2.767
   78    HA   ILE   7           HA       ILE   7   7.782  -0.681  -1.830
   79    HB   ILE   7           HB       ILE   7   6.759  -1.588  -4.546
   80   1HG1  ILE   7          2HG1      ILE   7   8.672  -2.969  -2.642
   81   2HG1  ILE   7          1HG1      ILE   7   6.953  -3.352  -2.743
   82   1HG2  ILE   7          2HG2      ILE   7   9.452  -0.644  -3.556
   83   2HG2  ILE   7          1HG2      ILE   7   9.312  -1.700  -4.963
   84   3HG2  ILE   7          3HG2      ILE   7   8.556  -0.106  -4.977
   85   1HD1  ILE   7          1HD1      ILE   7   8.606  -3.339  -5.250
   86   2HD1  ILE   7          3HD1      ILE   7   8.681  -4.732  -4.172
   87   3HD1  ILE   7          2HD1      ILE   7   7.141  -4.252  -4.886
   88    QG1  ILE   7           QG1      ILE   7   7.813  -3.160  -2.693
   89    QG2  ILE   7           QG2      ILE   7   9.106  -0.816  -4.499
   90    QD1  ILE   7           QD1      ILE   7   8.143  -4.108  -4.769
   91    H    ILE   8           H        ILE   8   7.820   1.555  -1.657
   92    HA   ILE   8           HA       ILE   8   5.889   3.144  -3.202
   93    HB   ILE   8           HB       ILE   8   8.007   3.879  -1.158
   94   1HG1  ILE   8          2HG1      ILE   8   5.874   4.439   0.166
   95   2HG1  ILE   8          1HG1      ILE   8   5.002   3.531  -1.065
   96   1HG2  ILE   8          3HG2      ILE   8   5.863   5.569  -2.491
   97   2HG2  ILE   8          2HG2      ILE   8   6.828   6.089  -1.103
   98   3HG2  ILE   8          1HG2      ILE   8   7.611   5.779  -2.654
   99   1HD1  ILE   8          1HD1      ILE   8   7.381   2.293   0.253
  100   2HD1  ILE   8          3HD1      ILE   8   5.836   2.315   1.103
  101   3HD1  ILE   8          2HD1      ILE   8   5.968   1.525  -0.472
  102    QG1  ILE   8           QG1      ILE   8   5.438   3.985  -0.449
  103    QG2  ILE   8           QG2      ILE   8   6.767   5.812  -2.083
  104    QD1  ILE   8           QD1      ILE   8   6.395   2.044   0.295
  105    H    ASN   9           H        ASN   9   6.446   3.752  -5.280
  106    HA   ASN   9           HA       ASN   9   9.316   3.902  -6.031
  107   1HB   ASN   9          2HB       ASN   9   7.614   2.632  -7.362
  108   2HB   ASN   9          1HB       ASN   9   6.780   4.154  -7.680
  109   1HD2  ASN   9          2HD2      ASN   9   9.068   5.194 -10.171
  110   2HD2  ASN   9          1HD2      ASN   9   7.702   5.595  -9.247
  111    QB   ASN   9           QB       ASN   9   7.197   3.393  -7.521
  112    QD2  ASN   9           QD2      ASN   9   8.385   5.394  -9.709
  113    H    GLY  10           H        GLY  10   9.038   5.951  -4.398
  114   1HA   GLY  10          2HA       GLY  10   8.749   8.324  -6.184
  115   2HA   GLY  10          1HA       GLY  10   7.986   8.331  -4.593
  116    QA   GLY  10           QA       GLY  10   8.368   8.328  -5.389
  117    H    LYS  11           H        LYS  11   9.250   9.988  -3.694
  118    HA   LYS  11           HA       LYS  11  12.142   9.309  -3.278
  119   1HB   LYS  11          2HB       LYS  11  12.567  11.758  -3.489
  120   2HB   LYS  11          1HB       LYS  11  11.880  11.074  -4.961
  121   1HG   LYS  11          2HG       LYS  11   9.772  12.037  -4.578
  122   2HG   LYS  11          1HG       LYS  11  10.081  12.264  -2.857
  123   1HD   LYS  11          2HD       LYS  11  11.787  13.679  -4.888
  124   2HD   LYS  11          1HD       LYS  11  10.211  14.336  -4.449
  125   1HE   LYS  11          2HE       LYS  11  10.953  15.029  -2.407
  126   2HE   LYS  11          1HE       LYS  11  11.847  13.520  -2.127
  127   1HZ   LYS  11          3HZ       LYS  11  12.684  15.661  -4.012
  128   2HZ   LYS  11          2HZ       LYS  11  13.332  15.440  -2.456
  129   3HZ   LYS  11          1HZ       LYS  11  13.547  14.248  -3.647
  130    QB   LYS  11           QB       LYS  11  12.224  11.416  -4.225
  131    QG   LYS  11           QG       LYS  11   9.926  12.150  -3.718
  132    QD   LYS  11           QD       LYS  11  10.999  14.007  -4.669
  133    QE   LYS  11           QE       LYS  11  11.400  14.275  -2.267
  134    QZ   LYS  11           QZ       LYS  11  13.188  15.116  -3.372
  135    H    THR  12           H        THR  12   9.654   8.958  -1.572
  136    HA   THR  12           HA       THR  12  10.695  10.371   0.849
  137    HB   THR  12           HB       THR  12   7.759  10.154   0.160
  138    HG1  THR  12          1HG       THR  12   9.565  12.276  -0.365
  139   1HG2  THR  12          1HG2      THR  12   9.429  11.481   2.244
  140   2HG2  THR  12          3HG2      THR  12   7.988  12.334   1.691
  141   3HG2  THR  12          2HG2      THR  12   7.844  10.721   2.391
  142    QG2  THR  12           QG2      THR  12   8.421  11.512   2.109
  143    H    LEU  13           H        LEU  13  10.733   7.539  -0.221
  144    HA   LEU  13           HA       LEU  13  10.190   6.181   2.265
  145   1HB   LEU  13          2HB       LEU  13   8.004   6.594   0.431
  146   2HB   LEU  13          1HB       LEU  13   8.364   4.869   0.498
  147    HG   LEU  13           HG       LEU  13   8.243   6.430   3.042
  148   1HD1  LEU  13          1HD1      LEU  13   6.159   6.728   1.401
  149   2HD1  LEU  13          3HD1      LEU  13   5.746   5.134   2.031
  150   3HD1  LEU  13          2HD1      LEU  13   5.934   6.498   3.134
  151   1HD2  LEU  13          2HD2      LEU  13   8.974   3.995   2.836
  152   2HD2  LEU  13          1HD2      LEU  13   7.649   4.284   3.962
  153   3HD2  LEU  13          3HD2      LEU  13   7.315   3.621   2.359
  154    QB   LEU  13           QB       LEU  13   8.184   5.731   0.465
  155    QD1  LEU  13           QD1      LEU  13   5.946   6.120   2.189
  156    QD2  LEU  13           QD2      LEU  13   7.979   3.967   3.052
  157    QQD  LEU  13           QQD      LEU  13   6.963   5.043   2.620
  158    H    LYS  14           H        LYS  14   9.666   5.024  -1.076
  159    HA   LYS  14           HA       LYS  14  10.787   3.334  -2.298
  160   1HB   LYS  14          2HB       LYS  14  12.938   4.917  -0.893
  161   2HB   LYS  14          1HB       LYS  14  13.355   3.594  -1.982
  162   1HG   LYS  14          2HG       LYS  14  11.855   4.721  -3.713
  163   2HG   LYS  14          1HG       LYS  14  11.829   6.120  -2.639
  164   1HD   LYS  14          2HD       LYS  14  13.605   6.432  -4.271
  165   2HD   LYS  14          1HD       LYS  14  14.335   6.139  -2.692
  166   1HE   LYS  14          2HE       LYS  14  15.207   4.113  -3.330
  167   2HE   LYS  14          1HE       LYS  14  13.804   3.719  -4.344
  168   1HZ   LYS  14          2HZ       LYS  14  14.528   5.449  -5.904
  169   2HZ   LYS  14          1HZ       LYS  14  15.919   5.714  -4.965
  170   3HZ   LYS  14          3HZ       LYS  14  15.693   4.223  -5.742
  171    QB   LYS  14           QB       LYS  14  13.146   4.255  -1.437
  172    QG   LYS  14           QG       LYS  14  11.842   5.421  -3.176
  173    QD   LYS  14           QD       LYS  14  13.970   6.286  -3.482
  174    QE   LYS  14           QE       LYS  14  14.505   3.916  -3.837
  175    QZ   LYS  14           QZ       LYS  14  15.380   5.129  -5.537
  176    H    GLY  15           H        GLY  15   9.604   2.180  -0.144
  177   1HA   GLY  15          2HA       GLY  15  11.583   0.119   0.647
  178   2HA   GLY  15          1HA       GLY  15  10.736   0.958   1.946
  179    QA   GLY  15           QA       GLY  15  11.159   0.538   1.297
  180    H    GLU  16           H        GLU  16  10.396  -1.743   1.769
  181    HA   GLU  16           HA       GLU  16   7.717  -2.137   0.469
  182   1HB   GLU  16          2HB       GLU  16  10.000  -3.498   0.077
  183   2HB   GLU  16          1HB       GLU  16   9.408  -4.380   1.484
  184   1HG   GLU  16          2HG       GLU  16   7.589  -5.230   0.363
  185   2HG   GLU  16          1HG       GLU  16   7.450  -3.824  -0.693
  186    QB   GLU  16           QB       GLU  16   9.704  -3.939   0.780
  187    QG   GLU  16           QG       GLU  16   7.519  -4.527  -0.165
  188    H    ILE  17           H        ILE  17   7.185  -0.845   2.656
  189    HA   ILE  17           HA       ILE  17   7.299  -2.174   5.183
  190    HB   ILE  17           HB       ILE  17   6.799   0.216   4.854
  191   1HG1  ILE  17          2HG1      ILE  17   4.356  -1.112   6.051
  192   2HG1  ILE  17          1HG1      ILE  17   5.919  -1.073   6.871
  193   1HG2  ILE  17          1HG2      ILE  17   4.328  -0.869   3.492
  194   2HG2  ILE  17          3HG2      ILE  17   4.417   0.782   4.101
  195   3HG2  ILE  17          2HG2      ILE  17   5.527   0.247   2.840
  196   1HD1  ILE  17          1HD1      ILE  17   5.865   1.468   6.509
  197   2HD1  ILE  17          3HD1      ILE  17   4.164   1.261   6.095
  198   3HD1  ILE  17          2HD1      ILE  17   4.740   0.820   7.701
  199    QG1  ILE  17           QG1      ILE  17   5.137  -1.092   6.461
  200    QG2  ILE  17           QG2      ILE  17   4.758   0.053   3.478
  201    QD1  ILE  17           QD1      ILE  17   4.923   1.183   6.768
  202    H    THR  18           H        THR  18   5.861  -3.627   6.175
  203    HA   THR  18           HA       THR  18   3.984  -5.034   4.344
  204    HB   THR  18           HB       THR  18   4.119  -6.732   6.252
  205    HG1  THR  18          1HG       THR  18   5.730  -6.363   7.754
  206   1HG2  THR  18          3HG2      THR  18   6.024  -6.015   4.220
  207   2HG2  THR  18          2HG2      THR  18   6.895  -6.605   5.637
  208   3HG2  THR  18          1HG2      THR  18   5.665  -7.614   4.877
  209    QG2  THR  18           QG2      THR  18   6.195  -6.745   4.912
  210    H    ILE  19           H        ILE  19   1.800  -5.425   4.971
  211    HA   ILE  19           HA       ILE  19   0.804  -3.587   7.127
  212    HB   ILE  19           HB       ILE  19   0.210  -3.853   4.330
  213   1HG1  ILE  19          2HG1      ILE  19  -0.733  -2.119   6.610
  214   2HG1  ILE  19          1HG1      ILE  19   0.327  -1.693   5.269
  215   1HG2  ILE  19          2HG2      ILE  19  -1.492  -5.560   5.017
  216   2HG2  ILE  19          1HG2      ILE  19  -2.256  -4.339   6.035
  217   3HG2  ILE  19          3HG2      ILE  19  -2.212  -4.127   4.284
  218   1HD1  ILE  19          2HD1      ILE  19  -1.816  -2.191   3.798
  219   2HD1  ILE  19          1HD1      ILE  19  -2.679  -1.930   5.316
  220   3HD1  ILE  19          3HD1      ILE  19  -1.673  -0.645   4.639
  221    QG1  ILE  19           QG1      ILE  19  -0.203  -1.906   5.939
  222    QG2  ILE  19           QG2      ILE  19  -1.987  -4.675   5.112
  223    QD1  ILE  19           QD1      ILE  19  -2.056  -1.589   4.584
  224    H    GLU  20           H        GLU  20  -1.307  -4.284   8.032
  225    HA   GLU  20           HA       GLU  20  -1.675  -7.246   8.211
  226   1HB   GLU  20          2HB       GLU  20  -0.397  -6.113  10.160
  227   2HB   GLU  20          1HB       GLU  20  -1.917  -5.298  10.527
  228   1HG   GLU  20          2HG       GLU  20  -2.172  -7.170  11.854
  229   2HG   GLU  20          1HG       GLU  20  -2.865  -7.788  10.354
  230    QB   GLU  20           QB       GLU  20  -1.157  -5.706  10.344
  231    QG   GLU  20           QG       GLU  20  -2.518  -7.479  11.104
  232    H    ALA  21           H        ALA  21  -3.359  -6.633   6.574
  233    HA   ALA  21           HA       ALA  21  -5.680  -5.164   7.751
  234   1HB   ALA  21          2HB       ALA  21  -4.666  -5.540   4.907
  235   2HB   ALA  21          1HB       ALA  21  -6.147  -4.672   5.329
  236   3HB   ALA  21          3HB       ALA  21  -4.580  -4.054   5.863
  237    QB   ALA  21           QB       ALA  21  -5.131  -4.755   5.366
  238    H    VAL  22           H        VAL  22  -7.759  -5.888   6.523
  239    HA   VAL  22           HA       VAL  22  -8.125  -8.693   7.026
  240    HB   VAL  22           HB       VAL  22  -9.815  -6.922   7.468
  241   1HG1  VAL  22          1HG1      VAL  22  -9.197  -5.670   5.272
  242   2HG1  VAL  22          3HG1      VAL  22 -10.296  -6.804   4.488
  243   3HG1  VAL  22          2HG1      VAL  22 -10.897  -5.717   5.737
  244   1HG2  VAL  22          1HG2      VAL  22 -10.451  -9.197   5.604
  245   2HG2  VAL  22          3HG2      VAL  22 -10.816  -9.036   7.323
  246   3HG2  VAL  22          2HG2      VAL  22 -11.730  -8.105   6.135
  247    QG1  VAL  22           QG1      VAL  22 -10.130  -6.064   5.166
  248    QG2  VAL  22           QG2      VAL  22 -10.999  -8.779   6.354
  249    QQG  VAL  22           QQG      VAL  22 -10.564  -7.422   5.760
  250    H    ASP  23           H        ASP  23  -7.977  -6.682   4.119
  251    HA   ASP  23           HA       ASP  23  -7.298  -9.058   2.492
  252   1HB   ASP  23          2HB       ASP  23  -9.066  -8.401   0.826
  253   2HB   ASP  23          1HB       ASP  23  -9.735  -8.945   2.362
  254    QB   ASP  23           QB       ASP  23  -9.400  -8.673   1.594
  255    H    ALA  24           H        ALA  24  -6.718  -8.194   0.169
  256    HA   ALA  24           HA       ALA  24  -4.704  -6.195   0.432
  257   1HB   ALA  24          3HB       ALA  24  -5.291  -8.082  -1.374
  258   2HB   ALA  24          2HB       ALA  24  -6.015  -6.707  -2.210
  259   3HB   ALA  24          1HB       ALA  24  -4.299  -6.684  -1.795
  260    QB   ALA  24           QB       ALA  24  -5.201  -7.158  -1.793
  261    H    ALA  25           H        ALA  25  -8.113  -5.995  -0.450
  262    HA   ALA  25           HA       ALA  25  -8.249  -3.427  -1.602
  263   1HB   ALA  25          3HB       ALA  25 -10.002  -5.373  -0.310
  264   2HB   ALA  25          2HB       ALA  25 -10.534  -3.718  -0.017
  265   3HB   ALA  25          1HB       ALA  25 -10.340  -4.302  -1.668
  266    QB   ALA  25           QB       ALA  25 -10.292  -4.464  -0.665
  267    H    GLU  26           H        GLU  26  -8.691  -4.296   1.849
  268    HA   GLU  26           HA       GLU  26  -8.810  -1.610   2.842
  269   1HB   GLU  26          2HB       GLU  26  -8.526  -4.368   3.839
  270   2HB   GLU  26          1HB       GLU  26  -7.746  -3.172   4.875
  271   1HG   GLU  26          2HG       GLU  26 -10.129  -1.928   4.310
  272   2HG   GLU  26          1HG       GLU  26 -10.618  -3.622   4.354
  273    QB   GLU  26           QB       GLU  26  -8.136  -3.770   4.357
  274    QG   GLU  26           QG       GLU  26 -10.373  -2.775   4.332
  275    H    ALA  27           H        ALA  27  -6.066  -3.904   2.550
  276    HA   ALA  27           HA       ALA  27  -3.992  -2.380   3.692
  277   1HB   ALA  27          2HB       ALA  27  -4.041  -4.185   1.252
  278   2HB   ALA  27          1HB       ALA  27  -2.550  -3.581   1.981
  279   3HB   ALA  27          3HB       ALA  27  -3.624  -4.633   2.909
  280    QB   ALA  27           QB       ALA  27  -3.405  -4.133   2.047
  281    H    GLU  28           H        GLU  28  -5.205  -2.230   0.322
  282    HA   GLU  28           HA       GLU  28  -3.402  -0.223  -0.616
  283   1HB   GLU  28          2HB       GLU  28  -5.129  -1.773  -1.828
  284   2HB   GLU  28          1HB       GLU  28  -6.270  -0.462  -1.516
  285   1HG   GLU  28          2HG       GLU  28  -4.315   1.034  -2.507
  286   2HG   GLU  28          1HG       GLU  28  -3.840  -0.479  -3.283
  287    QB   GLU  28           QB       GLU  28  -5.699  -1.117  -1.672
  288    QG   GLU  28           QG       GLU  28  -4.078   0.278  -2.895
  289    H    LYS  29           H        LYS  29  -6.471  -0.010   1.164
  290    HA   LYS  29           HA       LYS  29  -6.785   2.867   0.934
  291   1HB   LYS  29          2HB       LYS  29  -7.716   0.896   3.058
  292   2HB   LYS  29          1HB       LYS  29  -8.371   2.511   2.804
  293   1HG   LYS  29          2HG       LYS  29  -8.366   0.360   0.674
  294   2HG   LYS  29          1HG       LYS  29  -9.729   0.659   1.750
  295   1HD   LYS  29          2HD       LYS  29  -8.491   2.725  -0.092
  296   2HD   LYS  29          1HD       LYS  29  -9.970   1.828  -0.433
  297   1HE   LYS  29          2HE       LYS  29 -10.932   2.756   1.722
  298   2HE   LYS  29          1HE       LYS  29  -9.508   3.811   1.818
  299   1HZ   LYS  29          1HZ       LYS  29 -10.011   4.498  -0.506
  300   2HZ   LYS  29          3HZ       LYS  29 -11.481   3.659  -0.397
  301   3HZ   LYS  29          2HZ       LYS  29 -11.184   4.985   0.623
  302    QB   LYS  29           QB       LYS  29  -8.043   1.704   2.931
  303    QG   LYS  29           QG       LYS  29  -9.048   0.510   1.212
  304    QD   LYS  29           QD       LYS  29  -9.230   2.277  -0.262
  305    QE   LYS  29           QE       LYS  29 -10.220   3.283   1.770
  306    QZ   LYS  29           QZ       LYS  29 -10.892   4.381  -0.093
  307    H    ILE  30           H        ILE  30  -5.589   0.763   3.557
  308    HA   ILE  30           HA       ILE  30  -4.627   2.798   5.310
  309    HB   ILE  30           HB       ILE  30  -3.681  -0.051   4.800
  310   1HG1  ILE  30          2HG1      ILE  30  -5.446   0.745   7.080
  311   2HG1  ILE  30          1HG1      ILE  30  -6.175   0.629   5.477
  312   1HG2  ILE  30          2HG2      ILE  30  -2.089   1.357   6.138
  313   2HG2  ILE  30          1HG2      ILE  30  -3.388   1.659   7.292
  314   3HG2  ILE  30          3HG2      ILE  30  -2.778   0.021   7.061
  315   1HD1  ILE  30          2HD1      ILE  30  -4.386  -1.614   6.221
  316   2HD1  ILE  30          1HD1      ILE  30  -5.883  -1.499   7.146
  317   3HD1  ILE  30          3HD1      ILE  30  -5.941  -1.640   5.390
  318    QG1  ILE  30           QG1      ILE  30  -5.811   0.687   6.278
  319    QG2  ILE  30           QG2      ILE  30  -2.752   1.013   6.830
  320    QD1  ILE  30           QD1      ILE  30  -5.403  -1.584   6.253
  321    H    PHE  31           H        PHE  31  -3.214   1.224   2.492
  322    HA   PHE  31           HA       PHE  31  -0.551   2.381   2.844
  323   1HB   PHE  31          2HB       PHE  31  -2.059   0.754   0.815
  324   2HB   PHE  31          1HB       PHE  31  -0.566   1.536   0.313
  325    HD1  PHE  31          2HD       PHE  31   1.098   1.345   2.761
  326    HD2  PHE  31          1HD       PHE  31  -1.564  -1.522   0.983
  327    HE1  PHE  31          2HE       PHE  31   2.394  -0.500   3.788
  328    HE2  PHE  31          1HE       PHE  31  -0.245  -3.365   1.999
  329   1HZ   PHE  31           HZ       PHE  31   1.731  -2.846   3.400
  330    QB   PHE  31           QB       PHE  31  -1.313   1.145   0.564
  331    QG   PHE  31           QD       PHE  31  -0.233  -0.088   1.872
  332    QZ   PHE  31           QE       PHE  31   1.075  -1.932   2.894
  333    QZ   PHE  31           QR       PHE  31   0.683  -1.377   2.586
  334    H    LYS  32           H        LYS  32  -3.440   3.058   0.920
  335    HA   LYS  32           HA       LYS  32  -2.311   5.236  -0.581
  336   1HB   LYS  32          2HB       LYS  32  -5.062   4.161  -0.028
  337   2HB   LYS  32          1HB       LYS  32  -4.841   5.629  -0.978
  338   1HG   LYS  32          2HG       LYS  32  -3.042   3.471  -1.831
  339   2HG   LYS  32          1HG       LYS  32  -4.743   3.024  -1.961
  340   1HD   LYS  32          2HD       LYS  32  -3.852   5.712  -2.966
  341   2HD   LYS  32          1HD       LYS  32  -3.589   4.280  -3.959
  342   1HE   LYS  32          2HE       LYS  32  -6.111   3.770  -3.463
  343   2HE   LYS  32          1HE       LYS  32  -6.193   5.501  -3.077
  344   1HZ   LYS  32          3HZ       LYS  32  -4.999   5.903  -5.211
  345   2HZ   LYS  32          2HZ       LYS  32  -5.220   4.262  -5.594
  346   3HZ   LYS  32          1HZ       LYS  32  -6.565   5.283  -5.404
  347    QB   LYS  32           QB       LYS  32  -4.952   4.895  -0.503
  348    QG   LYS  32           QG       LYS  32  -3.892   3.248  -1.896
  349    QD   LYS  32           QD       LYS  32  -3.720   4.996  -3.462
  350    QE   LYS  32           QE       LYS  32  -6.152   4.635  -3.270
  351    QZ   LYS  32           QZ       LYS  32  -5.595   5.149  -5.403
  352    H    GLN  33           H        GLN  33  -3.090   5.061   2.698
  353    HA   GLN  33           HA       GLN  33  -3.766   8.002   2.819
  354   1HB   GLN  33          2HB       GLN  33  -4.189   5.616   4.643
  355   2HB   GLN  33          1HB       GLN  33  -4.326   7.268   5.245
  356   1HG   GLN  33          2HG       GLN  33  -5.810   6.564   2.748
  357   2HG   GLN  33          1HG       GLN  33  -6.449   5.979   4.285
  358   1HE2  GLN  33          2HE2      GLN  33  -8.065   9.135   4.493
  359   2HE2  GLN  33          1HE2      GLN  33  -8.274   7.467   4.265
  360    QB   GLN  33           QB       GLN  33  -4.257   6.442   4.944
  361    QG   GLN  33           QG       GLN  33  -6.129   6.272   3.517
  362    QE2  GLN  33           QE2      GLN  33  -8.169   8.301   4.379
  363    H    TYR  34           H        TYR  34  -1.901   5.366   4.119
  364    HA   TYR  34           HA       TYR  34   0.008   6.599   5.774
  365   1HB   TYR  34          2HB       TYR  34  -0.241   4.250   5.669
  366   2HB   TYR  34          1HB       TYR  34  -0.239   4.243   3.902
  367    HD1  TYR  34          1HD       TYR  34   1.891   4.626   6.946
  368    HD2  TYR  34          2HD       TYR  34   1.838   4.023   2.694
  369    HE1  TYR  34          1HE       TYR  34   4.313   4.097   6.991
  370    HE2  TYR  34          2HE       TYR  34   4.260   3.495   2.739
  371    HH   TYR  34           HH       TYR  34   6.236   4.158   5.385
  372    QB   TYR  34           QB       TYR  34  -0.240   4.247   4.786
  373    QG   TYR  34           QD       TYR  34   1.864   4.325   4.820
  374    QZ   TYR  34           QE       TYR  34   4.286   3.796   4.865
  375    QR   TYR  34           QR       TYR  34   3.075   4.060   4.842
  376    H    ALA  35           H        ALA  35  -0.184   6.331   2.243
  377    HA   ALA  35           HA       ALA  35   2.465   7.282   1.563
  378   1HB   ALA  35          3HB       ALA  35  -0.209   6.916   0.249
  379   2HB   ALA  35          2HB       ALA  35   0.986   7.923  -0.576
  380   3HB   ALA  35          1HB       ALA  35   1.361   6.240  -0.198
  381    QB   ALA  35           QB       ALA  35   0.713   7.026  -0.175
  382    H    ASN  36           H        ASN  36  -0.710   8.935   1.685
  383    HA   ASN  36           HA       ASN  36   0.155  11.552   1.014
  384   1HB   ASN  36          2HB       ASN  36  -2.088  10.401   2.668
  385   2HB   ASN  36          1HB       ASN  36  -1.938  12.140   2.420
  386   1HD2  ASN  36          2HD2      ASN  36  -3.032   9.750  -0.724
  387   2HD2  ASN  36          1HD2      ASN  36  -2.411   9.048   0.689
  388    QB   ASN  36           QB       ASN  36  -2.013  11.271   2.544
  389    QD2  ASN  36           QD2      ASN  36  -2.721   9.399  -0.018
  390    H    ASP  37           H        ASP  37  -0.176  10.040   4.240
  391    HA   ASP  37           HA       ASP  37   0.572  12.242   5.842
  392   1HB   ASP  37          2HB       ASP  37  -0.268   9.831   6.385
  393   2HB   ASP  37          1HB       ASP  37   1.447   9.421   6.415
  394    QB   ASP  37           QB       ASP  37   0.590   9.626   6.400
  395    H    ASN  38           H        ASN  38   2.536  10.242   3.806
  396    HA   ASN  38           HA       ASN  38   5.028  11.324   4.954
  397   1HB   ASN  38          2HB       ASN  38   4.167   8.917   3.458
  398   2HB   ASN  38          1HB       ASN  38   5.781   9.516   3.077
  399   1HD2  ASN  38          2HD2      ASN  38   5.053   8.263   6.934
  400   2HD2  ASN  38          1HD2      ASN  38   3.768   8.883   6.014
  401    QB   ASN  38           QB       ASN  38   4.974   9.216   3.267
  402    QD2  ASN  38           QD2      ASN  38   4.410   8.573   6.474
  403    H    GLY  39           H        GLY  39   3.008  11.394   2.094
  404   1HA   GLY  39          2HA       GLY  39   3.161  13.393   0.636
  405   2HA   GLY  39          1HA       GLY  39   4.912  13.336   0.851
  406    QA   GLY  39           QA       GLY  39   4.037  13.365   0.743
  407    H    ILE  40           H        ILE  40   2.998  10.440   0.347
  408    HA   ILE  40           HA       ILE  40   4.484   9.935  -2.176
  409    HB   ILE  40           HB       ILE  40   3.128   8.390  -0.007
  410   1HG1  ILE  40          2HG1      ILE  40   5.226   7.022  -0.317
  411   2HG1  ILE  40          1HG1      ILE  40   5.729   8.225  -1.508
  412   1HG2  ILE  40          1HG2      ILE  40   2.132   7.504  -2.156
  413   2HG2  ILE  40          3HG2      ILE  40   3.772   7.086  -2.652
  414   3HG2  ILE  40          2HG2      ILE  40   3.057   6.333  -1.224
  415   1HD1  ILE  40          1HD1      ILE  40   4.861   8.956   1.286
  416   2HD1  ILE  40          3HD1      ILE  40   6.549   8.639   0.861
  417   3HD1  ILE  40          2HD1      ILE  40   5.683   9.979   0.098
  418    QG1  ILE  40           QG1      ILE  40   5.478   7.624  -0.912
  419    QG2  ILE  40           QG2      ILE  40   2.987   6.974  -2.011
  420    QD1  ILE  40           QD1      ILE  40   5.697   9.191   0.748
  421    H    ASP  41           H        ASP  41   3.415  10.858  -3.857
  422    HA   ASP  41           HA       ASP  41   0.550  10.110  -4.281
  423   1HB   ASP  41          2HB       ASP  41   0.712  12.320  -3.149
  424   2HB   ASP  41          1HB       ASP  41   1.695  12.911  -4.489
  425    QB   ASP  41           QB       ASP  41   1.203  12.616  -3.819
  426    H    GLY  42           H        GLY  42   0.926   8.862  -6.119
  427   1HA   GLY  42          2HA       GLY  42   1.549  10.270  -8.592
  428   2HA   GLY  42          1HA       GLY  42   2.787   9.096  -8.151
  429    QA   GLY  42           QA       GLY  42   2.168   9.683  -8.371
  430    H    GLU  43           H        GLU  43   2.412   6.953  -8.642
  431    HA   GLU  43           HA       GLU  43  -0.270   6.285  -9.811
  432   1HB   GLU  43          2HB       GLU  43   2.244   6.064 -10.827
  433   2HB   GLU  43          1HB       GLU  43   2.051   4.463 -10.113
  434   1HG   GLU  43          2HG       GLU  43   0.404   3.854 -11.582
  435   2HG   GLU  43          1HG       GLU  43  -0.264   5.484 -11.670
  436    QB   GLU  43           QB       GLU  43   2.148   5.263 -10.470
  437    QG   GLU  43           QG       GLU  43   0.070   4.669 -11.626
  438    H    TRP  44           H        TRP  44  -0.639   3.728  -9.564
  439    HA   TRP  44           HA       TRP  44   0.159   2.608  -6.923
  440   1HB   TRP  44          2HB       TRP  44  -2.531   3.783  -7.612
  441   2HB   TRP  44          1HB       TRP  44  -2.468   2.354  -6.575
  442    HD1  TRP  44           HD       TRP  44  -1.654   6.061  -6.609
  443    HE1  TRP  44          1HE       TRP  44  -0.973   6.768  -4.222
  444    HE3  TRP  44          3HE       TRP  44  -1.418   1.486  -4.402
  445    HZ2  TRP  44          2HZ       TRP  44  -0.402   5.536  -1.698
  446    HZ3  TRP  44          3HZ       TRP  44  -0.819   1.276  -2.000
  447    HH2  TRP  44           HH       TRP  44  -0.302   3.288  -0.655
  448    QB   TRP  44           QB       TRP  44  -2.499   3.068  -7.094
  449    H    THR  45           H        THR  45   0.290   0.414  -7.178
  450    HA   THR  45           HA       THR  45  -1.540  -0.959  -9.088
  451    HB   THR  45           HB       THR  45   0.244  -1.944 -10.327
  452    HG1  THR  45          1HG       THR  45   2.347  -1.869  -9.660
  453   1HG2  THR  45          1HG2      THR  45  -0.156   0.416 -10.924
  454   2HG2  THR  45          3HG2      THR  45   1.073   0.909  -9.758
  455   3HG2  THR  45          2HG2      THR  45   1.532  -0.033 -11.179
  456    QG2  THR  45           QG2      THR  45   0.816   0.431 -10.620
  457    H    TYR  46           H        TYR  46  -2.193  -2.876  -8.225
  458    HA   TYR  46           HA       TYR  46  -0.864  -3.808  -5.730
  459   1HB   TYR  46          2HB       TYR  46  -3.228  -3.469  -5.543
  460   2HB   TYR  46          1HB       TYR  46  -3.540  -4.329  -7.054
  461    HD1  TYR  46          2HD       TYR  46  -1.570  -5.043  -3.929
  462    HD2  TYR  46          1HD       TYR  46  -4.521  -6.422  -6.730
  463    HE1  TYR  46          2HE       TYR  46  -1.717  -7.199  -2.709
  464    HE2  TYR  46          1HE       TYR  46  -4.662  -8.579  -5.513
  465    HH   TYR  46           HH       TYR  46  -3.990  -9.140  -2.698
  466    QB   TYR  46           QB       TYR  46  -3.384  -3.899  -6.298
  467    QG   TYR  46           QD       TYR  46  -3.046  -5.733  -5.329
  468    QZ   TYR  46           QE       TYR  46  -3.190  -7.889  -4.111
  469    QR   TYR  46           QR       TYR  46  -3.118  -6.811  -4.720
  470    H    ASP  47           H        ASP  47   0.572  -5.465  -5.900
  471    HA   ASP  47           HA       ASP  47   0.659  -7.125  -8.351
  472   1HB   ASP  47          2HB       ASP  47   2.371  -6.731  -5.888
  473   2HB   ASP  47          1HB       ASP  47   2.705  -8.025  -7.038
  474    QB   ASP  47           QB       ASP  47   2.538  -7.378  -6.463
  475    H    ASP  48           H        ASP  48  -1.102  -8.559  -8.193
  476    HA   ASP  48           HA       ASP  48  -1.906  -9.877  -5.748
  477   1HB   ASP  48          2HB       ASP  48  -3.371  -9.426  -7.683
  478   2HB   ASP  48          1HB       ASP  48  -2.415 -10.535  -8.666
  479    QB   ASP  48           QB       ASP  48  -2.893  -9.981  -8.175
  480    H    ALA  49           H        ALA  49   0.852 -10.403  -7.609
  481    HA   ALA  49           HA       ALA  49   0.918 -13.336  -7.347
  482   1HB   ALA  49          1HB       ALA  49   2.465 -11.144  -8.638
  483   2HB   ALA  49          3HB       ALA  49   3.387 -12.576  -8.178
  484   3HB   ALA  49          2HB       ALA  49   2.016 -12.726  -9.278
  485    QB   ALA  49           QB       ALA  49   2.622 -12.149  -8.698
  486    H    THR  50           H        THR  50   2.143 -10.451  -5.750
  487    HA   THR  50           HA       THR  50   3.308 -12.183  -3.609
  488    HB   THR  50           HB       THR  50   5.224 -10.592  -3.549
  489    HG1  THR  50          1HG       THR  50   4.803  -8.757  -4.461
  490   1HG2  THR  50          2HG2      THR  50   5.067 -12.693  -5.061
  491   2HG2  THR  50          1HG2      THR  50   4.895 -11.542  -6.384
  492   3HG2  THR  50          3HG2      THR  50   6.351 -11.530  -5.389
  493    QG2  THR  50           QG2      THR  50   5.438 -11.922  -5.612
  494    H    LYS  51           H        LYS  51   0.862 -10.200  -4.192
  495    HA   LYS  51           HA       LYS  51  -0.353  -8.606  -2.981
  496   1HB   LYS  51          2HB       LYS  51   1.106 -10.327  -0.990
  497   2HB   LYS  51          1HB       LYS  51  -0.010  -9.068  -0.445
  498   1HG   LYS  51          2HG       LYS  51  -1.394 -10.979  -0.676
  499   2HG   LYS  51          1HG       LYS  51  -1.649 -10.062  -2.159
  500   1HD   LYS  51          2HD       LYS  51  -0.672 -11.595  -3.469
  501   2HD   LYS  51          1HD       LYS  51   0.586 -11.963  -2.287
  502   1HE   LYS  51          2HE       LYS  51  -0.730 -13.956  -2.388
  503   2HE   LYS  51          1HE       LYS  51  -1.322 -13.122  -0.937
  504   1HZ   LYS  51          1HZ       LYS  51  -2.476 -12.705  -3.638
  505   2HZ   LYS  51          3HZ       LYS  51  -3.100 -13.829  -2.533
  506   3HZ   LYS  51          2HZ       LYS  51  -3.102 -12.174  -2.151
  507    QB   LYS  51           QB       LYS  51   0.548  -9.697  -0.718
  508    QG   LYS  51           QG       LYS  51  -1.522 -10.521  -1.418
  509    QD   LYS  51           QD       LYS  51  -0.043 -11.779  -2.878
  510    QE   LYS  51           QE       LYS  51  -1.026 -13.539  -1.662
  511    QZ   LYS  51           QZ       LYS  51  -2.893 -12.903  -2.774
  512    H    THR  52           H        THR  52   2.010  -7.525  -4.065
  513    HA   THR  52           HA       THR  52   2.906  -5.653  -1.887
  514    HB   THR  52           HB       THR  52   4.372  -6.451  -4.418
  515    HG1  THR  52          1HG       THR  52   4.711  -7.441  -1.785
  516   1HG2  THR  52          1HG2      THR  52   5.053  -4.325  -3.325
  517   2HG2  THR  52          3HG2      THR  52   5.332  -5.209  -1.826
  518   3HG2  THR  52          2HG2      THR  52   6.319  -5.550  -3.247
  519    QG2  THR  52           QG2      THR  52   5.568  -5.028  -2.799
  520    H    PHE  53           H        PHE  53   1.549  -3.875  -2.243
  521    HA   PHE  53           HA       PHE  53   0.601  -2.992  -4.790
  522   1HB   PHE  53          2HB       PHE  53   0.978  -1.680  -2.089
  523   2HB   PHE  53          1HB       PHE  53   0.204  -0.842  -3.437
  524    HD1  PHE  53          1HD       PHE  53  -0.069  -3.742  -1.119
  525    HD2  PHE  53          2HD       PHE  53  -2.020  -1.454  -4.200
  526    HE1  PHE  53          1HE       PHE  53  -2.219  -4.879  -0.611
  527    HE2  PHE  53          2HE       PHE  53  -4.148  -2.603  -3.692
  528   1HZ   PHE  53           HZ       PHE  53  -4.248  -4.314  -1.908
  529    QB   PHE  53           QB       PHE  53   0.591  -1.261  -2.763
  530    QG   PHE  53           QD       PHE  53  -1.044  -2.598  -2.659
  531    QZ   PHE  53           QE       PHE  53  -3.184  -3.741  -2.151
  532    QZ   PHE  53           QR       PHE  53  -2.541  -3.398  -2.306
  533    H    THR  54           H        THR  54   1.300  -0.420  -5.393
  534    HA   THR  54           HA       THR  54   4.213  -0.034  -5.142
  535    HB   THR  54           HB       THR  54   3.164  -0.189  -7.942
  536    HG1  THR  54          1HG       THR  54   3.951  -2.473  -6.457
  537   1HG2  THR  54          2HG2      THR  54   5.482   0.533  -7.351
  538   2HG2  THR  54          1HG2      THR  54   5.773  -1.077  -6.693
  539   3HG2  THR  54          3HG2      THR  54   5.439  -0.874  -8.413
  540    QG2  THR  54           QG2      THR  54   5.564  -0.473  -7.486
  541    H    VAL  55           H        VAL  55   3.835   2.042  -4.399
  542    HA   VAL  55           HA       VAL  55   2.029   3.742  -6.029
  543    HB   VAL  55           HB       VAL  55   1.386   3.539  -3.726
  544   1HG1  VAL  55          3HG1      VAL  55   4.241   4.333  -3.085
  545   2HG1  VAL  55          2HG1      VAL  55   2.932   4.315  -1.903
  546   3HG1  VAL  55          1HG1      VAL  55   3.423   2.815  -2.690
  547   1HG2  VAL  55          3HG2      VAL  55   1.195   5.785  -4.769
  548   2HG2  VAL  55          2HG2      VAL  55   1.416   5.874  -3.021
  549   3HG2  VAL  55          1HG2      VAL  55   2.769   6.205  -4.103
  550    QG1  VAL  55           QG1      VAL  55   3.532   3.821  -2.559
  551    QG2  VAL  55           QG2      VAL  55   1.794   5.954  -3.964
  552    QQG  VAL  55           QQG      VAL  55   2.663   4.888  -3.262
  553    H    THR  56           H        THR  56   2.990   4.963  -7.479
  554    HA   THR  56           HA       THR  56   5.805   5.821  -7.186
  555    HB   THR  56           HB       THR  56   3.692   5.573  -9.298
  556    HG1  THR  56          1HG       THR  56   5.064   4.133  -9.869
  557   1HG2  THR  56          2HG2      THR  56   6.060   7.442  -9.609
  558   2HG2  THR  56          1HG2      THR  56   4.995   6.920 -10.913
  559   3HG2  THR  56          3HG2      THR  56   4.358   7.914  -9.601
  560    QG2  THR  56           QG2      THR  56   5.138   7.425 -10.041
  561    H    GLU  57           H        GLU  57   6.156   8.255  -7.804
  562    HA   GLU  57           HA       GLU  57   4.089   9.917  -6.398
  563   1HB   GLU  57          2HB       GLU  57   6.278   9.590  -5.244
  564   2HB   GLU  57          1HB       GLU  57   7.094  10.292  -6.642
  565   1HG   GLU  57          2HG       GLU  57   6.126  12.424  -6.282
  566   2HG   GLU  57          1HG       GLU  57   4.901  11.775  -5.190
  567    QB   GLU  57           QB       GLU  57   6.686   9.941  -5.943
  568    QG   GLU  57           QG       GLU  57   5.514  12.100  -5.736
   
  No H/Q in entry =         568
  Start of MODEL   44
    1   1H    MET   1          3HT       MET   1  -3.727 -14.886   7.228
    2   2H    MET   1          2HT       MET   1  -3.097 -15.432   8.708
    3   3H    MET   1          1HT       MET   1  -3.733 -13.861   8.580
    4    HA   MET   1           HA       MET   1  -1.397 -13.591   8.535
    5   1HB   MET   1          2HB       MET   1  -0.053 -15.023   6.995
    6   2HB   MET   1          1HB       MET   1  -0.944 -15.976   8.180
    7   1HG   MET   1          2HG       MET   1  -2.319 -15.415   5.592
    8   2HG   MET   1          1HG       MET   1  -0.979 -16.560   5.554
    9   1HE   MET   1          2HE       MET   1  -1.845 -18.556   5.020
   10   2HE   MET   1          1HE       MET   1  -3.212 -19.431   5.704
   11   3HE   MET   1          3HE       MET   1  -3.487 -18.023   4.670
   12    QB   MET   1           QB       MET   1  -0.499 -15.500   7.587
   13    QG   MET   1           QG       MET   1  -1.649 -15.987   5.573
   14    QE   MET   1           QE       MET   1  -2.848 -18.670   5.131
   15    H    THR   2           H        THR   2  -3.157 -11.905   7.535
   16    HA   THR   2           HA       THR   2  -2.908 -11.582   4.612
   17    HB   THR   2           HB       THR   2  -4.180  -9.890   6.788
   18    HG1  THR   2          1HG       THR   2  -5.569 -11.445   6.761
   19   1HG2  THR   2          2HG2      THR   2  -4.008  -9.671   3.824
   20   2HG2  THR   2          1HG2      THR   2  -5.573  -9.320   4.555
   21   3HG2  THR   2          3HG2      THR   2  -4.148  -8.398   5.037
   22    QG2  THR   2           QG2      THR   2  -4.576  -9.130   4.472
   23    H    THR   3           H        THR   3  -0.602 -11.164   4.401
   24    HA   THR   3           HA       THR   3   0.351  -8.626   5.661
   25    HB   THR   3           HB       THR   3   1.874 -10.894   4.343
   26    HG1  THR   3          1HG       THR   3   2.090 -11.710   6.312
   27   1HG2  THR   3          1HG2      THR   3   2.632  -8.230   5.180
   28   2HG2  THR   3          3HG2      THR   3   3.462  -9.432   6.172
   29   3HG2  THR   3          2HG2      THR   3   3.621  -9.477   4.417
   30    QG2  THR   3           QG2      THR   3   3.238  -9.046   5.256
   31    H    PHE   4           H        PHE   4   0.110  -6.910   4.294
   32    HA   PHE   4           HA       PHE   4   0.492  -7.377   1.352
   33   1HB   PHE   4          2HB       PHE   4  -1.208  -5.542   3.025
   34   2HB   PHE   4          1HB       PHE   4  -0.824  -5.107   1.360
   35    HD1  PHE   4          1HD       PHE   4  -1.033  -7.194  -0.339
   36    HD2  PHE   4          2HD       PHE   4  -3.176  -6.751   3.361
   37    HE1  PHE   4          1HE       PHE   4  -2.760  -8.769  -1.154
   38    HE2  PHE   4          2HE       PHE   4  -4.898  -8.332   2.537
   39   1HZ   PHE   4           HZ       PHE   4  -4.696  -9.339   0.285
   40    QB   PHE   4           QB       PHE   4  -1.016  -5.324   2.192
   41    QG   PHE   4           QD       PHE   4  -2.104  -6.972   1.511
   42    QZ   PHE   4           QE       PHE   4  -3.829  -8.551   0.691
   43    QZ   PHE   4           QR       PHE   4  -3.312  -8.077   0.938
   44    H    LYS   5           H        LYS   5   2.457  -6.646   0.664
   45    HA   LYS   5           HA       LYS   5   3.948  -4.664   2.253
   46   1HB   LYS   5          2HB       LYS   5   4.516  -6.262  -0.266
   47   2HB   LYS   5          1HB       LYS   5   5.695  -5.196   0.501
   48   1HG   LYS   5          2HG       LYS   5   5.744  -6.515   2.489
   49   2HG   LYS   5          1HG       LYS   5   4.307  -7.418   2.010
   50   1HD   LYS   5          2HD       LYS   5   6.627  -7.493   0.142
   51   2HD   LYS   5          1HD       LYS   5   6.790  -8.386   1.654
   52   1HE   LYS   5          2HE       LYS   5   4.356  -9.258   1.026
   53   2HE   LYS   5          1HE       LYS   5   4.889  -8.849  -0.617
   54   1HZ   LYS   5          3HZ       LYS   5   6.559 -10.399   1.283
   55   2HZ   LYS   5          2HZ       LYS   5   5.515 -11.138   0.164
   56   3HZ   LYS   5          1HZ       LYS   5   6.809 -10.183  -0.381
   57    QB   LYS   5           QB       LYS   5   5.106  -5.729   0.117
   58    QG   LYS   5           QG       LYS   5   5.026  -6.967   2.249
   59    QD   LYS   5           QD       LYS   5   6.708  -7.939   0.898
   60    QE   LYS   5           QE       LYS   5   4.622  -9.054   0.204
   61    QZ   LYS   5           QZ       LYS   5   6.294 -10.573   0.355
   62    H    LEU   6           H        LEU   6   5.081  -2.880   0.909
   63    HA   LEU   6           HA       LEU   6   3.440  -1.836  -1.343
   64   1HB   LEU   6          2HB       LEU   6   2.389  -1.020   0.730
   65   2HB   LEU   6          1HB       LEU   6   3.946  -0.415   1.296
   66    HG   LEU   6           HG       LEU   6   4.008   1.022  -0.814
   67   1HD1  LEU   6          1HD1      LEU   6   1.131   0.080  -0.890
   68   2HD1  LEU   6          3HD1      LEU   6   1.720   1.489  -1.770
   69   3HD1  LEU   6          2HD1      LEU   6   2.349  -0.114  -2.149
   70   1HD2  LEU   6          3HD2      LEU   6   3.061   1.551   1.661
   71   2HD2  LEU   6          2HD2      LEU   6   3.065   2.751   0.369
   72   3HD2  LEU   6          1HD2      LEU   6   1.595   1.844   0.724
   73    QB   LEU   6           QB       LEU   6   3.168  -0.717   1.013
   74    QD1  LEU   6           QD1      LEU   6   1.733   0.485  -1.603
   75    QD2  LEU   6           QD2      LEU   6   2.573   2.049   0.918
   76    QQD  LEU   6           QQD      LEU   6   2.153   1.267  -0.343
   77    H    ILE   7           H        ILE   7   5.154  -1.730  -2.795
   78    HA   ILE   7           HA       ILE   7   7.836  -0.867  -1.989
   79    HB   ILE   7           HB       ILE   7   6.532  -1.388  -4.687
   80   1HG1  ILE   7          2HG1      ILE   7   6.510  -3.360  -3.202
   81   2HG1  ILE   7          1HG1      ILE   7   7.641  -3.594  -4.531
   82   1HG2  ILE   7          1HG2      ILE   7   9.436  -1.079  -3.875
   83   2HG2  ILE   7          3HG2      ILE   7   8.913  -1.713  -5.435
   84   3HG2  ILE   7          2HG2      ILE   7   8.529  -0.051  -4.984
   85   1HD1  ILE   7          3HD1      ILE   7   9.488  -2.823  -3.003
   86   2HD1  ILE   7          2HD1      ILE   7   8.321  -2.812  -1.681
   87   3HD1  ILE   7          1HD1      ILE   7   8.722  -4.326  -2.490
   88    QG1  ILE   7           QG1      ILE   7   7.075  -3.477  -3.867
   89    QG2  ILE   7           QG2      ILE   7   8.960  -0.948  -4.765
   90    QD1  ILE   7           QD1      ILE   7   8.843  -3.320  -2.391
   91    H    ILE   8           H        ILE   8   8.261   1.288  -1.708
   92    HA   ILE   8           HA       ILE   8   6.484   3.251  -3.022
   93    HB   ILE   8           HB       ILE   8   8.768   3.898  -1.165
   94   1HG1  ILE   8          2HG1      ILE   8   7.266   2.044  -0.180
   95   2HG1  ILE   8          1HG1      ILE   8   7.449   3.497   0.784
   96   1HG2  ILE   8          3HG2      ILE   8   6.271   5.191  -2.166
   97   2HG2  ILE   8          2HG2      ILE   8   6.809   5.600  -0.534
   98   3HG2  ILE   8          1HG2      ILE   8   7.878   5.883  -1.909
   99   1HD1  ILE   8          3HD1      ILE   8   5.183   3.496  -1.123
  100   2HD1  ILE   8          2HD1      ILE   8   5.052   2.369   0.224
  101   3HD1  ILE   8          1HD1      ILE   8   5.260   4.095   0.534
  102    QG1  ILE   8           QG1      ILE   8   7.357   2.770   0.302
  103    QG2  ILE   8           QG2      ILE   8   6.986   5.558  -1.536
  104    QD1  ILE   8           QD1      ILE   8   5.165   3.320  -0.121
  105    H    ASN   9           H        ASN   9   7.140   4.093  -4.982
  106    HA   ASN   9           HA       ASN   9  10.084   4.206  -5.556
  107   1HB   ASN   9          2HB       ASN   9   8.807   2.691  -6.996
  108   2HB   ASN   9          1HB       ASN   9   7.658   3.970  -7.369
  109   1HD2  ASN   9          2HD2      ASN   9   9.683   5.388  -9.897
  110   2HD2  ASN   9          1HD2      ASN   9   8.200   5.429  -9.068
  111    QB   ASN   9           QB       ASN   9   8.233   3.331  -7.183
  112    QD2  ASN   9           QD2      ASN   9   8.942   5.408  -9.482
  113    H    GLY  10           H        GLY  10  10.388   6.317  -4.646
  114   1HA   GLY  10          2HA       GLY  10   9.994   8.533  -6.368
  115   2HA   GLY  10          1HA       GLY  10   8.718   8.577  -5.151
  116    QA   GLY  10           QA       GLY  10   9.356   8.555  -5.759
  117    H    LYS  11           H        LYS  11  10.307  10.685  -4.993
  118    HA   LYS  11           HA       LYS  11  12.775  10.475  -3.582
  119   1HB   LYS  11          2HB       LYS  11  12.319  12.854  -3.039
  120   2HB   LYS  11          1HB       LYS  11  11.941  12.497  -4.722
  121   1HG   LYS  11          2HG       LYS  11   9.530  11.998  -3.734
  122   2HG   LYS  11          1HG       LYS  11  10.081  13.059  -2.441
  123   1HD   LYS  11          2HD       LYS  11  10.734  14.141  -5.076
  124   2HD   LYS  11          1HD       LYS  11   9.004  13.861  -4.895
  125   1HE   LYS  11          2HE       LYS  11   9.594  15.000  -2.472
  126   2HE   LYS  11          1HE       LYS  11  10.727  15.846  -3.544
  127   1HZ   LYS  11          2HZ       LYS  11   7.850  15.435  -4.156
  128   2HZ   LYS  11          1HZ       LYS  11   8.478  16.865  -3.486
  129   3HZ   LYS  11          3HZ       LYS  11   8.957  16.374  -5.037
  130    QB   LYS  11           QB       LYS  11  12.130  12.675  -3.880
  131    QG   LYS  11           QG       LYS  11   9.805  12.528  -3.088
  132    QD   LYS  11           QD       LYS  11   9.869  14.001  -4.985
  133    QE   LYS  11           QE       LYS  11  10.160  15.423  -3.008
  134    QZ   LYS  11           QZ       LYS  11   8.428  16.225  -4.226
  135    H    THR  12           H        THR  12   9.427  10.504  -2.431
  136    HA   THR  12           HA       THR  12  10.276  10.513   0.408
  137    HB   THR  12           HB       THR  12   7.741  10.443   0.688
  138    HG1  THR  12          1HG       THR  12   6.585  10.822  -1.256
  139   1HG2  THR  12          3HG2      THR  12   9.440  12.548  -0.213
  140   2HG2  THR  12          2HG2      THR  12   7.899  12.717  -1.053
  141   3HG2  THR  12          1HG2      THR  12   7.942  12.680   0.709
  142    QG2  THR  12           QG2      THR  12   8.427  12.648  -0.185
  143    H    LEU  13           H        LEU  13  10.417   8.658   1.619
  144    HA   LEU  13           HA       LEU  13  10.382   6.369   2.183
  145   1HB   LEU  13          2HB       LEU  13   7.836   7.025   0.843
  146   2HB   LEU  13          1HB       LEU  13   8.250   5.313   0.773
  147    HG   LEU  13           HG       LEU  13   8.264   6.954   3.317
  148   1HD1  LEU  13          1HD1      LEU  13   6.148   5.227   2.020
  149   2HD1  LEU  13          3HD1      LEU  13   6.188   5.471   3.769
  150   3HD1  LEU  13          2HD1      LEU  13   5.984   6.853   2.691
  151   1HD2  LEU  13          2HD2      LEU  13   9.581   4.637   2.820
  152   2HD2  LEU  13          1HD2      LEU  13   8.895   5.027   4.397
  153   3HD2  LEU  13          3HD2      LEU  13   8.007   3.990   3.281
  154    QB   LEU  13           QB       LEU  13   8.043   6.169   0.808
  155    QD1  LEU  13           QD1      LEU  13   6.107   5.850   2.827
  156    QD2  LEU  13           QD2      LEU  13   8.828   4.551   3.499
  157    QQD  LEU  13           QQD      LEU  13   7.467   5.201   3.163
  158    H    LYS  14           H        LYS  14  10.738   4.174   1.224
  159    HA   LYS  14           HA       LYS  14  11.019   3.749  -1.587
  160   1HB   LYS  14          2HB       LYS  14  13.532   3.793  -1.653
  161   2HB   LYS  14          1HB       LYS  14  12.817   5.380  -1.384
  162   1HG   LYS  14          2HG       LYS  14  13.108   4.821   1.151
  163   2HG   LYS  14          1HG       LYS  14  14.244   3.598   0.584
  164   1HD   LYS  14          2HD       LYS  14  14.402   6.502  -0.247
  165   2HD   LYS  14          1HD       LYS  14  15.284   5.843   1.131
  166   1HE   LYS  14          2HE       LYS  14  16.219   4.083  -0.493
  167   2HE   LYS  14          1HE       LYS  14  15.592   5.116  -1.793
  168   1HZ   LYS  14          3HZ       LYS  14  16.787   6.987  -0.843
  169   2HZ   LYS  14          2HZ       LYS  14  17.394   6.001   0.401
  170   3HZ   LYS  14          1HZ       LYS  14  17.866   5.731  -1.208
  171    QB   LYS  14           QB       LYS  14  13.175   4.586  -1.518
  172    QG   LYS  14           QG       LYS  14  13.676   4.209   0.867
  173    QD   LYS  14           QD       LYS  14  14.843   6.172   0.442
  174    QE   LYS  14           QE       LYS  14  15.905   4.600  -1.143
  175    QZ   LYS  14           QZ       LYS  14  17.349   6.240  -0.550
  176    H    GLY  15           H        GLY  15  10.097   1.711  -1.060
  177   1HA   GLY  15          2HA       GLY  15  11.351  -0.595  -0.917
  178   2HA   GLY  15          1HA       GLY  15  11.699  -0.061   0.727
  179    QA   GLY  15           QA       GLY  15  11.525  -0.328  -0.095
  180    H    GLU  16           H        GLU  16  10.379  -2.350   0.659
  181    HA   GLU  16           HA       GLU  16   7.470  -2.007   0.589
  182   1HB   GLU  16          2HB       GLU  16   7.494  -4.389   1.100
  183   2HB   GLU  16          1HB       GLU  16   8.737  -4.056  -0.103
  184   1HG   GLU  16          2HG       GLU  16  10.292  -3.782   2.015
  185   2HG   GLU  16          1HG       GLU  16   9.050  -4.760   2.796
  186    QB   GLU  16           QB       GLU  16   8.116  -4.223   0.498
  187    QG   GLU  16           QG       GLU  16   9.671  -4.271   2.406
  188    H    ILE  17           H        ILE  17   6.085  -2.108   2.437
  189    HA   ILE  17           HA       ILE  17   7.431  -1.507   5.051
  190    HB   ILE  17           HB       ILE  17   4.757  -0.609   3.922
  191   1HG1  ILE  17          2HG1      ILE  17   7.149   1.128   4.537
  192   2HG1  ILE  17          1HG1      ILE  17   6.983   0.339   2.968
  193   1HG2  ILE  17          2HG2      ILE  17   4.815  -0.844   6.414
  194   2HG2  ILE  17          1HG2      ILE  17   6.189   0.261   6.452
  195   3HG2  ILE  17          3HG2      ILE  17   4.618   0.828   5.887
  196   1HD1  ILE  17          3HD1      ILE  17   4.672   1.897   4.088
  197   2HD1  ILE  17          2HD1      ILE  17   6.003   2.754   3.308
  198   3HD1  ILE  17          1HD1      ILE  17   5.073   1.557   2.406
  199    QG1  ILE  17           QG1      ILE  17   7.066   0.734   3.753
  200    QG2  ILE  17           QG2      ILE  17   5.208   0.082   6.251
  201    QD1  ILE  17           QD1      ILE  17   5.249   2.069   3.268
  202    H    THR  18           H        THR  18   5.165  -3.570   3.393
  203    HA   THR  18           HA       THR  18   3.933  -5.441   4.086
  204    HB   THR  18           HB       THR  18   4.885  -6.754   5.780
  205    HG1  THR  18          1HG       THR  18   5.506  -6.003   7.654
  206   1HG2  THR  18          3HG2      THR  18   6.625  -5.476   4.071
  207   2HG2  THR  18          2HG2      THR  18   7.368  -5.193   5.645
  208   3HG2  THR  18          1HG2      THR  18   7.040  -6.841   5.108
  209    QG2  THR  18           QG2      THR  18   7.011  -5.836   4.941
  210    H    ILE  19           H        ILE  19   1.856  -5.494   4.805
  211    HA   ILE  19           HA       ILE  19   1.124  -3.639   7.054
  212    HB   ILE  19           HB       ILE  19   0.298  -3.730   4.327
  213   1HG1  ILE  19          2HG1      ILE  19  -0.578  -2.154   6.752
  214   2HG1  ILE  19          1HG1      ILE  19   0.537  -1.656   5.480
  215   1HG2  ILE  19          3HG2      ILE  19  -1.369  -5.472   5.043
  216   2HG2  ILE  19          2HG2      ILE  19  -2.069  -4.278   6.137
  217   3HG2  ILE  19          1HG2      ILE  19  -2.105  -4.005   4.395
  218   1HD1  ILE  19          3HD1      ILE  19  -1.661  -2.101   3.969
  219   2HD1  ILE  19          2HD1      ILE  19  -2.450  -1.680   5.489
  220   3HD1  ILE  19          1HD1      ILE  19  -1.335  -0.540   4.729
  221    QG1  ILE  19           QG1      ILE  19  -0.021  -1.905   6.116
  222    QG2  ILE  19           QG2      ILE  19  -1.848  -4.585   5.191
  223    QD1  ILE  19           QD1      ILE  19  -1.815  -1.441   4.729
  224    H    GLU  20           H        GLU  20  -0.904  -4.272   8.152
  225    HA   GLU  20           HA       GLU  20  -1.340  -7.233   8.302
  226   1HB   GLU  20          2HB       GLU  20  -1.675  -6.837  10.766
  227   2HB   GLU  20          1HB       GLU  20  -0.036  -6.455  10.244
  228   1HG   GLU  20          2HG       GLU  20  -0.260  -4.272  10.792
  229   2HG   GLU  20          1HG       GLU  20  -1.834  -4.154  10.008
  230    QB   GLU  20           QB       GLU  20  -0.855  -6.646  10.505
  231    QG   GLU  20           QG       GLU  20  -1.047  -4.213  10.400
  232    H    ALA  21           H        ALA  21  -2.990  -6.392   6.638
  233    HA   ALA  21           HA       ALA  21  -5.311  -5.018   7.904
  234   1HB   ALA  21          3HB       ALA  21  -4.422  -5.414   5.022
  235   2HB   ALA  21          2HB       ALA  21  -5.842  -4.490   5.523
  236   3HB   ALA  21          1HB       ALA  21  -4.226  -3.935   5.972
  237    QB   ALA  21           QB       ALA  21  -4.830  -4.613   5.506
  238    H    VAL  22           H        VAL  22  -7.407  -5.750   6.638
  239    HA   VAL  22           HA       VAL  22  -7.729  -8.563   7.181
  240    HB   VAL  22           HB       VAL  22  -9.406  -6.809   7.736
  241   1HG1  VAL  22          2HG1      VAL  22  -8.945  -5.531   5.522
  242   2HG1  VAL  22          1HG1      VAL  22 -10.054  -6.685   4.785
  243   3HG1  VAL  22          3HG1      VAL  22 -10.617  -5.622   6.073
  244   1HG2  VAL  22          1HG2      VAL  22  -9.927  -9.310   7.065
  245   2HG2  VAL  22          3HG2      VAL  22 -11.246  -8.168   7.317
  246   3HG2  VAL  22          2HG2      VAL  22 -10.717  -8.556   5.680
  247    QG1  VAL  22           QG1      VAL  22  -9.872  -5.946   5.460
  248    QG2  VAL  22           QG2      VAL  22 -10.630  -8.678   6.687
  249    QQG  VAL  22           QQG      VAL  22 -10.251  -7.312   6.074
  250    H    ASP  23           H        ASP  23  -7.784  -6.524   4.283
  251    HA   ASP  23           HA       ASP  23  -7.239  -8.911   2.604
  252   1HB   ASP  23          2HB       ASP  23  -9.627  -7.063   2.482
  253   2HB   ASP  23          1HB       ASP  23  -9.072  -7.916   1.040
  254    QB   ASP  23           QB       ASP  23  -9.349  -7.489   1.761
  255    H    ALA  24           H        ALA  24  -6.740  -8.064   0.277
  256    HA   ALA  24           HA       ALA  24  -4.676  -6.095   0.440
  257   1HB   ALA  24          2HB       ALA  24  -5.356  -8.010  -1.310
  258   2HB   ALA  24          1HB       ALA  24  -6.076  -6.635  -2.149
  259   3HB   ALA  24          3HB       ALA  24  -4.350  -6.641  -1.785
  260    QB   ALA  24           QB       ALA  24  -5.261  -7.095  -1.748
  261    H    ALA  25           H        ALA  25  -8.081  -5.888  -0.572
  262    HA   ALA  25           HA       ALA  25  -8.166  -3.283  -1.632
  263   1HB   ALA  25          3HB       ALA  25 -10.022  -5.167  -0.267
  264   2HB   ALA  25          2HB       ALA  25 -10.554  -3.490  -0.383
  265   3HB   ALA  25          1HB       ALA  25 -10.171  -4.398  -1.846
  266    QB   ALA  25           QB       ALA  25 -10.249  -4.352  -0.832
  267    H    GLU  26           H        GLU  26  -8.422  -4.350   1.759
  268    HA   GLU  26           HA       GLU  26  -8.778  -1.708   2.883
  269   1HB   GLU  26          2HB       GLU  26  -9.114  -4.195   3.792
  270   2HB   GLU  26          1HB       GLU  26  -7.461  -3.961   4.364
  271   1HG   GLU  26          2HG       GLU  26  -8.588  -3.091   6.177
  272   2HG   GLU  26          1HG       GLU  26  -8.486  -1.631   5.193
  273    QB   GLU  26           QB       GLU  26  -8.288  -4.078   4.078
  274    QG   GLU  26           QG       GLU  26  -8.537  -2.361   5.685
  275    H    ALA  27           H        ALA  27  -5.929  -3.875   2.607
  276    HA   ALA  27           HA       ALA  27  -3.948  -2.202   3.729
  277   1HB   ALA  27          1HB       ALA  27  -3.851  -4.094   1.354
  278   2HB   ALA  27          3HB       ALA  27  -2.417  -3.424   2.137
  279   3HB   ALA  27          2HB       ALA  27  -3.501  -4.487   3.040
  280    QB   ALA  27           QB       ALA  27  -3.256  -4.002   2.177
  281    H    GLU  28           H        GLU  28  -5.253  -2.200   0.405
  282    HA   GLU  28           HA       GLU  28  -3.514  -0.230  -0.715
  283   1HB   GLU  28          2HB       GLU  28  -5.293  -1.803  -1.780
  284   2HB   GLU  28          1HB       GLU  28  -6.445  -0.528  -1.386
  285   1HG   GLU  28          2HG       GLU  28  -4.719   1.050  -2.561
  286   2HG   GLU  28          1HG       GLU  28  -4.113  -0.435  -3.298
  287    QB   GLU  28           QB       GLU  28  -5.869  -1.165  -1.583
  288    QG   GLU  28           QG       GLU  28  -4.416   0.308  -2.929
  289    H    LYS  29           H        LYS  29  -6.602   0.073   1.058
  290    HA   LYS  29           HA       LYS  29  -6.806   2.950   0.830
  291   1HB   LYS  29          2HB       LYS  29  -7.877   0.896   2.793
  292   2HB   LYS  29          1HB       LYS  29  -8.371   2.588   2.799
  293   1HG   LYS  29          2HG       LYS  29  -8.576   1.638   0.105
  294   2HG   LYS  29          1HG       LYS  29  -9.356   0.454   1.152
  295   1HD   LYS  29          2HD       LYS  29 -11.015   2.099   0.525
  296   2HD   LYS  29          1HD       LYS  29 -10.624   2.345   2.228
  297   1HE   LYS  29          2HE       LYS  29  -8.797   4.005   1.202
  298   2HE   LYS  29          1HE       LYS  29  -9.971   4.069  -0.128
  299   1HZ   LYS  29          3HZ       LYS  29 -10.724   4.347   2.729
  300   2HZ   LYS  29          2HZ       LYS  29 -10.410   5.677   1.720
  301   3HZ   LYS  29          1HZ       LYS  29 -11.702   4.629   1.373
  302    QB   LYS  29           QB       LYS  29  -8.124   1.742   2.796
  303    QG   LYS  29           QG       LYS  29  -8.966   1.046   0.629
  304    QD   LYS  29           QD       LYS  29 -10.820   2.222   1.376
  305    QE   LYS  29           QE       LYS  29  -9.384   4.037   0.537
  306    QZ   LYS  29           QZ       LYS  29 -10.946   4.884   1.940
  307    H    ILE  30           H        ILE  30  -5.637   0.802   3.440
  308    HA   ILE  30           HA       ILE  30  -4.742   2.818   5.252
  309    HB   ILE  30           HB       ILE  30  -3.689   0.019   4.687
  310   1HG1  ILE  30          2HG1      ILE  30  -5.568   0.788   6.910
  311   2HG1  ILE  30          1HG1      ILE  30  -6.204   0.467   5.299
  312   1HG2  ILE  30          1HG2      ILE  30  -3.209   1.997   6.897
  313   2HG2  ILE  30          3HG2      ILE  30  -3.197   0.272   7.262
  314   3HG2  ILE  30          2HG2      ILE  30  -2.060   0.934   6.087
  315   1HD1  ILE  30          1HD1      ILE  30  -4.370  -1.626   5.857
  316   2HD1  ILE  30          3HD1      ILE  30  -5.353  -1.419   7.308
  317   3HD1  ILE  30          2HD1      ILE  30  -6.127  -1.737   5.756
  318    QG1  ILE  30           QG1      ILE  30  -5.886   0.628   6.105
  319    QG2  ILE  30           QG2      ILE  30  -2.822   1.068   6.749
  320    QD1  ILE  30           QD1      ILE  30  -5.284  -1.594   6.307
  321    H    PHE  31           H        PHE  31  -3.126   1.200   2.531
  322    HA   PHE  31           HA       PHE  31  -0.564   2.527   2.906
  323   1HB   PHE  31          2HB       PHE  31  -1.935   0.840   0.824
  324   2HB   PHE  31          1HB       PHE  31  -0.447   1.672   0.393
  325    HD1  PHE  31          1HD       PHE  31   1.140   1.543   2.863
  326    HD2  PHE  31          2HD       PHE  31  -1.410  -1.414   1.070
  327    HE1  PHE  31          1HE       PHE  31   2.455  -0.257   3.954
  328    HE2  PHE  31          2HE       PHE  31  -0.078  -3.210   2.149
  329   1HZ   PHE  31           HZ       PHE  31   1.851  -2.626   3.588
  330    QB   PHE  31           QB       PHE  31  -1.191   1.256   0.608
  331    QG   PHE  31           QD       PHE  31  -0.135   0.064   1.967
  332    QZ   PHE  31           QE       PHE  31   1.188  -1.733   3.051
  333    QZ   PHE  31           QR       PHE  31   0.792  -1.193   2.725
  334    H    LYS  32           H        LYS  32  -3.436   3.081   0.899
  335    HA   LYS  32           HA       LYS  32  -2.347   5.295  -0.582
  336   1HB   LYS  32          2HB       LYS  32  -5.085   4.150  -0.080
  337   2HB   LYS  32          1HB       LYS  32  -4.874   5.611  -1.040
  338   1HG   LYS  32          2HG       LYS  32  -3.024   3.456  -1.804
  339   2HG   LYS  32          1HG       LYS  32  -4.721   3.025  -2.017
  340   1HD   LYS  32          2HD       LYS  32  -3.426   5.548  -3.097
  341   2HD   LYS  32          1HD       LYS  32  -3.773   4.103  -4.046
  342   1HE   LYS  32          2HE       LYS  32  -6.160   4.902  -2.611
  343   2HE   LYS  32          1HE       LYS  32  -5.534   6.266  -3.556
  344   1HZ   LYS  32          3HZ       LYS  32  -5.765   3.515  -4.641
  345   2HZ   LYS  32          2HZ       LYS  32  -6.985   4.683  -4.823
  346   3HZ   LYS  32          1HZ       LYS  32  -5.449   4.943  -5.501
  347    QB   LYS  32           QB       LYS  32  -4.980   4.881  -0.560
  348    QG   LYS  32           QG       LYS  32  -3.873   3.241  -1.910
  349    QD   LYS  32           QD       LYS  32  -3.600   4.825  -3.572
  350    QE   LYS  32           QE       LYS  32  -5.847   5.584  -3.084
  351    QZ   LYS  32           QZ       LYS  32  -6.066   4.380  -4.988
  352    H    GLN  33           H        GLN  33  -3.182   5.110   2.686
  353    HA   GLN  33           HA       GLN  33  -3.957   8.026   2.767
  354   1HB   GLN  33          2HB       GLN  33  -5.493   6.232   3.754
  355   2HB   GLN  33          1HB       GLN  33  -4.211   5.886   4.913
  356   1HG   GLN  33          2HG       GLN  33  -4.621   7.770   6.120
  357   2HG   GLN  33          1HG       GLN  33  -4.881   8.751   4.678
  358   1HE2  GLN  33          2HE2      GLN  33  -8.391   7.620   4.453
  359   2HE2  GLN  33          1HE2      GLN  33  -7.041   7.698   3.429
  360    QB   GLN  33           QB       GLN  33  -4.852   6.059   4.334
  361    QG   GLN  33           QG       GLN  33  -4.751   8.260   5.399
  362    QE2  GLN  33           QE2      GLN  33  -7.716   7.659   3.941
  363    H    TYR  34           H        TYR  34  -2.110   5.430   4.180
  364    HA   TYR  34           HA       TYR  34  -0.302   6.742   5.902
  365   1HB   TYR  34          2HB       TYR  34  -0.532   4.377   5.836
  366   2HB   TYR  34          1HB       TYR  34  -0.392   4.338   4.076
  367    HD1  TYR  34          1HD       TYR  34   1.880   4.722   3.027
  368    HD2  TYR  34          2HD       TYR  34   1.385   4.256   7.268
  369    HE1  TYR  34          1HE       TYR  34   4.308   4.268   3.260
  370    HE2  TYR  34          2HE       TYR  34   3.812   3.801   7.502
  371    HH   TYR  34           HH       TYR  34   5.669   2.966   6.068
  372    QB   TYR  34           QB       TYR  34  -0.462   4.357   4.956
  373    QG   TYR  34           QD       TYR  34   1.632   4.489   5.147
  374    QZ   TYR  34           QE       TYR  34   4.060   4.035   5.381
  375    QR   TYR  34           QR       TYR  34   2.846   4.262   5.264
  376    H    ALA  35           H        ALA  35  -0.113   6.056   2.403
  377    HA   ALA  35           HA       ALA  35   2.469   7.210   1.888
  378   1HB   ALA  35          3HB       ALA  35  -0.004   6.561   0.283
  379   2HB   ALA  35          2HB       ALA  35   1.377   7.361  -0.475
  380   3HB   ALA  35          1HB       ALA  35   1.574   5.768   0.253
  381    QB   ALA  35           QB       ALA  35   0.983   6.563   0.020
  382    H    ASN  36           H        ASN  36  -0.783   8.523   1.141
  383    HA   ASN  36           HA       ASN  36  -0.024  11.130   0.374
  384   1HB   ASN  36          2HB       ASN  36  -2.464   9.909   1.647
  385   2HB   ASN  36          1HB       ASN  36  -2.414  11.630   1.268
  386   1HD2  ASN  36          2HD2      ASN  36  -2.595   8.903  -1.786
  387   2HD2  ASN  36          1HD2      ASN  36  -2.232   8.383  -0.212
  388    QB   ASN  36           QB       ASN  36  -2.439  10.769   1.457
  389    QD2  ASN  36           QD2      ASN  36  -2.414   8.643  -0.999
  390    H    ASP  37           H        ASP  37  -0.957   9.991   3.642
  391    HA   ASP  37           HA       ASP  37  -0.703  12.453   5.019
  392   1HB   ASP  37          2HB       ASP  37  -1.563  10.091   5.721
  393   2HB   ASP  37          1HB       ASP  37   0.112   9.805   6.194
  394    QB   ASP  37           QB       ASP  37  -0.725   9.948   5.958
  395    H    ASN  38           H        ASN  38   1.734  10.222   3.932
  396    HA   ASN  38           HA       ASN  38   3.874  11.601   5.393
  397   1HB   ASN  38          2HB       ASN  38   3.527   9.071   3.829
  398   2HB   ASN  38          1HB       ASN  38   5.156   9.705   4.066
  399   1HD2  ASN  38          2HD2      ASN  38   5.247   8.931   7.534
  400   2HD2  ASN  38          1HD2      ASN  38   6.001   9.777   6.271
  401    QB   ASN  38           QB       ASN  38   4.341   9.388   3.948
  402    QD2  ASN  38           QD2      ASN  38   5.624   9.354   6.902
  403    H    GLY  39           H        GLY  39   2.545  11.283   2.166
  404   1HA   GLY  39          2HA       GLY  39   2.923  13.152   0.584
  405   2HA   GLY  39          1HA       GLY  39   4.582  13.235   1.179
  406    QA   GLY  39           QA       GLY  39   3.753  13.194   0.881
  407    H    ILE  40           H        ILE  40   3.024  10.140   0.590
  408    HA   ILE  40           HA       ILE  40   5.013   9.627  -1.565
  409    HB   ILE  40           HB       ILE  40   3.474   8.036   0.460
  410   1HG1  ILE  40          2HG1      ILE  40   5.804   7.044   0.711
  411   2HG1  ILE  40          1HG1      ILE  40   6.343   8.284  -0.423
  412   1HG2  ILE  40          2HG2      ILE  40   4.054   7.068  -2.232
  413   2HG2  ILE  40          1HG2      ILE  40   4.858   6.104  -0.996
  414   3HG2  ILE  40          3HG2      ILE  40   3.113   6.317  -0.945
  415   1HD1  ILE  40          2HD1      ILE  40   4.724   8.991   2.015
  416   2HD1  ILE  40          1HD1      ILE  40   6.482   8.836   2.093
  417   3HD1  ILE  40          3HD1      ILE  40   5.747  10.038   1.027
  418    QG1  ILE  40           QG1      ILE  40   6.073   7.664   0.144
  419    QG2  ILE  40           QG2      ILE  40   4.009   6.496  -1.391
  420    QD1  ILE  40           QD1      ILE  40   5.651   9.288   1.712
  421    H    ASP  41           H        ASP  41   3.649  10.983  -2.998
  422    HA   ASP  41           HA       ASP  41   1.005   9.976  -3.824
  423   1HB   ASP  41          2HB       ASP  41   2.878  12.215  -4.455
  424   2HB   ASP  41          1HB       ASP  41   1.730  11.764  -5.717
  425    QB   ASP  41           QB       ASP  41   2.304  11.989  -5.086
  426    H    GLY  42           H        GLY  42   1.031   9.926  -6.553
  427   1HA   GLY  42          2HA       GLY  42   2.646   9.100  -8.352
  428   2HA   GLY  42          1HA       GLY  42   3.096   7.883  -7.173
  429    QA   GLY  42           QA       GLY  42   2.871   8.492  -7.763
  430    H    GLU  43           H        GLU  43   2.537   6.581  -9.185
  431    HA   GLU  43           HA       GLU  43  -0.341   6.140  -9.699
  432   1HB   GLU  43          2HB       GLU  43   1.484   6.090 -11.417
  433   2HB   GLU  43          1HB       GLU  43   2.161   4.677 -10.599
  434   1HG   GLU  43          2HG       GLU  43   0.457   3.284 -11.301
  435   2HG   GLU  43          1HG       GLU  43  -0.730   4.587 -11.351
  436    QB   GLU  43           QB       GLU  43   1.822   5.383 -11.008
  437    QG   GLU  43           QG       GLU  43  -0.136   3.936 -11.326
  438    H    TRP  44           H        TRP  44  -1.546   4.541  -8.683
  439    HA   TRP  44           HA       TRP  44  -0.146   2.720  -6.767
  440   1HB   TRP  44          2HB       TRP  44  -2.914   3.842  -7.117
  441   2HB   TRP  44          1HB       TRP  44  -2.660   2.402  -6.119
  442    HD1  TRP  44           HD       TRP  44  -1.716   6.106  -6.323
  443    HE1  TRP  44          1HE       TRP  44  -0.795   6.828  -4.024
  444    HE3  TRP  44          3HE       TRP  44  -1.589   1.578  -3.993
  445    HZ2  TRP  44          2HZ       TRP  44  -0.097   5.629  -1.530
  446    HZ3  TRP  44          3HZ       TRP  44  -0.787   1.395  -1.648
  447    HH2  TRP  44           HH       TRP  44  -0.035   3.415  -0.420
  448    QB   TRP  44           QB       TRP  44  -2.787   3.122  -6.618
  449    H    THR  45           H        THR  45  -0.046   0.579  -7.108
  450    HA   THR  45           HA       THR  45  -1.911  -0.732  -9.024
  451    HB   THR  45           HB       THR  45  -0.121  -1.638 -10.334
  452    HG1  THR  45          1HG       THR  45   1.759  -1.964  -9.492
  453   1HG2  THR  45          3HG2      THR  45  -0.617   0.743 -10.818
  454   2HG2  THR  45          2HG2      THR  45   0.655   1.215  -9.688
  455   3HG2  THR  45          1HG2      THR  45   1.066   0.335 -11.163
  456    QG2  THR  45           QG2      THR  45   0.368   0.764 -10.557
  457    H    TYR  46           H        TYR  46  -2.486  -2.714  -8.236
  458    HA   TYR  46           HA       TYR  46  -1.105  -3.683  -5.781
  459   1HB   TYR  46          2HB       TYR  46  -3.488  -3.363  -5.613
  460   2HB   TYR  46          1HB       TYR  46  -3.773  -4.263  -7.105
  461    HD1  TYR  46          2HD       TYR  46  -1.895  -4.799  -3.895
  462    HD2  TYR  46          1HD       TYR  46  -4.599  -6.422  -6.809
  463    HE1  TYR  46          2HE       TYR  46  -2.010  -6.910  -2.608
  464    HE2  TYR  46          1HE       TYR  46  -4.709  -8.542  -5.525
  465    HH   TYR  46           HH       TYR  46  -3.405  -9.769  -3.891
  466    QB   TYR  46           QB       TYR  46  -3.631  -3.813  -6.359
  467    QG   TYR  46           QD       TYR  46  -3.247  -5.610  -5.352
  468    QZ   TYR  46           QE       TYR  46  -3.359  -7.726  -4.066
  469    QR   TYR  46           QR       TYR  46  -3.303  -6.668  -4.709
  470    H    ASP  47           H        ASP  47  -0.112  -5.709  -5.724
  471    HA   ASP  47           HA       ASP  47   0.130  -7.158  -8.338
  472   1HB   ASP  47          2HB       ASP  47   1.978  -6.934  -5.937
  473   2HB   ASP  47          1HB       ASP  47   2.324  -7.882  -7.383
  474    QB   ASP  47           QB       ASP  47   2.151  -7.408  -6.660
  475    H    ASP  48           H        ASP  48  -1.487  -8.729  -8.134
  476    HA   ASP  48           HA       ASP  48  -2.115 -10.104  -5.671
  477   1HB   ASP  48          2HB       ASP  48  -3.642  -9.759  -7.604
  478   2HB   ASP  48          1HB       ASP  48  -2.644 -10.857  -8.559
  479    QB   ASP  48           QB       ASP  48  -3.143 -10.308  -8.082
  480    H    ALA  49           H        ALA  49   0.582 -10.421  -7.685
  481    HA   ALA  49           HA       ALA  49   0.910 -13.332  -7.390
  482   1HB   ALA  49          1HB       ALA  49   1.656 -11.503  -9.256
  483   2HB   ALA  49          3HB       ALA  49   3.124 -11.554  -8.280
  484   3HB   ALA  49          2HB       ALA  49   2.506 -13.030  -9.021
  485    QB   ALA  49           QB       ALA  49   2.429 -12.029  -8.852
  486    H    THR  50           H        THR  50   1.991 -10.332  -5.894
  487    HA   THR  50           HA       THR  50   3.523 -11.948  -3.885
  488    HB   THR  50           HB       THR  50   5.119 -10.038  -3.843
  489    HG1  THR  50          1HG       THR  50   4.867  -8.507  -5.575
  490   1HG2  THR  50          1HG2      THR  50   5.098 -12.049  -5.582
  491   2HG2  THR  50          3HG2      THR  50   4.865 -10.736  -6.736
  492   3HG2  THR  50          2HG2      THR  50   6.292 -10.755  -5.699
  493    QG2  THR  50           QG2      THR  50   5.418 -11.180  -6.005
  494    H    LYS  51           H        LYS  51   0.772 -10.211  -4.291
  495    HA   LYS  51           HA       LYS  51  -0.624  -8.967  -2.851
  496   1HB   LYS  51          2HB       LYS  51   1.247 -10.215  -0.805
  497   2HB   LYS  51          1HB       LYS  51  -0.360  -9.573  -0.471
  498   1HG   LYS  51          2HG       LYS  51   0.202 -11.838  -2.407
  499   2HG   LYS  51          1HG       LYS  51  -0.333 -12.064  -0.742
  500   1HD   LYS  51          2HD       LYS  51  -2.364 -10.721  -1.231
  501   2HD   LYS  51          1HD       LYS  51  -1.837 -10.565  -2.908
  502   1HE   LYS  51          2HE       LYS  51  -3.136 -12.448  -3.184
  503   2HE   LYS  51          1HE       LYS  51  -1.682 -13.274  -2.591
  504   1HZ   LYS  51          3HZ       LYS  51  -3.839 -12.200  -0.852
  505   2HZ   LYS  51          2HZ       LYS  51  -3.682 -13.835  -1.288
  506   3HZ   LYS  51          1HZ       LYS  51  -2.483 -13.083  -0.347
  507    QB   LYS  51           QB       LYS  51   0.443  -9.894  -0.638
  508    QG   LYS  51           QG       LYS  51  -0.065 -11.951  -1.575
  509    QD   LYS  51           QD       LYS  51  -2.100 -10.643  -2.069
  510    QE   LYS  51           QE       LYS  51  -2.409 -12.861  -2.888
  511    QZ   LYS  51           QZ       LYS  51  -3.334 -13.039  -0.829
  512    H    THR  52           H        THR  52   1.576  -7.532  -4.005
  513    HA   THR  52           HA       THR  52   2.191  -5.599  -1.782
  514    HB   THR  52           HB       THR  52   3.919  -6.417  -4.139
  515    HG1  THR  52          1HG       THR  52   3.783  -8.065  -2.633
  516   1HG2  THR  52          1HG2      THR  52   4.461  -4.663  -1.727
  517   2HG2  THR  52          3HG2      THR  52   5.680  -5.176  -2.894
  518   3HG2  THR  52          2HG2      THR  52   4.356  -4.129  -3.405
  519    QG2  THR  52           QG2      THR  52   4.832  -4.656  -2.675
  520    H    PHE  53           H        PHE  53   1.617  -3.500  -2.217
  521    HA   PHE  53           HA       PHE  53   0.418  -2.850  -4.831
  522   1HB   PHE  53          2HB       PHE  53   0.722  -1.446  -2.164
  523   2HB   PHE  53          1HB       PHE  53  -0.070  -0.691  -3.548
  524    HD1  PHE  53          2HD       PHE  53  -0.218  -3.538  -1.166
  525    HD2  PHE  53          1HD       PHE  53  -2.286  -1.357  -4.245
  526    HE1  PHE  53          2HE       PHE  53  -2.320  -4.751  -0.621
  527    HE2  PHE  53          1HE       PHE  53  -4.368  -2.574  -3.700
  528   1HZ   PHE  53           HZ       PHE  53  -4.386  -4.271  -1.896
  529    QB   PHE  53           QB       PHE  53   0.326  -1.068  -2.856
  530    QG   PHE  53           QD       PHE  53  -1.252  -2.448  -2.705
  531    QZ   PHE  53           QE       PHE  53  -3.344  -3.663  -2.160
  532    QZ   PHE  53           QR       PHE  53  -2.716  -3.298  -2.325
  533    H    THR  54           H        THR  54   1.114  -0.226  -5.372
  534    HA   THR  54           HA       THR  54   4.023   0.139  -5.074
  535    HB   THR  54           HB       THR  54   2.909  -0.057  -7.868
  536    HG1  THR  54          1HG       THR  54   3.143  -2.182  -7.887
  537   1HG2  THR  54          1HG2      THR  54   5.560   0.032  -6.530
  538   2HG2  THR  54          3HG2      THR  54   5.435  -0.970  -7.976
  539   3HG2  THR  54          2HG2      THR  54   5.044   0.749  -8.056
  540    QG2  THR  54           QG2      THR  54   5.347  -0.063  -7.521
  541    H    VAL  55           H        VAL  55   4.097   2.279  -4.649
  542    HA   VAL  55           HA       VAL  55   2.202   4.094  -6.093
  543    HB   VAL  55           HB       VAL  55   1.628   4.082  -3.790
  544   1HG1  VAL  55          1HG1      VAL  55   4.587   4.285  -3.155
  545   2HG1  VAL  55          3HG1      VAL  55   3.281   4.369  -1.965
  546   3HG1  VAL  55          2HG1      VAL  55   3.530   2.885  -2.894
  547   1HG2  VAL  55          1HG2      VAL  55   1.927   6.371  -4.742
  548   2HG2  VAL  55          3HG2      VAL  55   2.137   6.308  -2.989
  549   3HG2  VAL  55          2HG2      VAL  55   3.548   6.408  -4.049
  550    QG1  VAL  55           QG1      VAL  55   3.799   3.846  -2.671
  551    QG2  VAL  55           QG2      VAL  55   2.537   6.363  -3.927
  552    QQG  VAL  55           QQG      VAL  55   3.168   5.104  -3.299
  553    H    THR  56           H        THR  56   3.556   4.525  -7.842
  554    HA   THR  56           HA       THR  56   6.331   5.396  -7.393
  555    HB   THR  56           HB       THR  56   4.704   4.164  -9.430
  556    HG1  THR  56          1HG       THR  56   6.524   3.199  -9.447
  557   1HG2  THR  56          1HG2      THR  56   6.192   6.623 -10.377
  558   2HG2  THR  56          3HG2      THR  56   5.724   5.292 -11.439
  559   3HG2  THR  56          2HG2      THR  56   4.478   6.241 -10.616
  560    QG2  THR  56           QG2      THR  56   5.464   6.052 -10.811
  561    H    GLU  57           H        GLU  57   6.245   7.422  -6.374
  562    HA   GLU  57           HA       GLU  57   4.428   9.549  -6.940
  563   1HB   GLU  57          2HB       GLU  57   5.988   9.267  -4.976
  564   2HB   GLU  57          1HB       GLU  57   7.321   9.734  -6.035
  565   1HG   GLU  57          2HG       GLU  57   6.626  11.931  -6.173
  566   2HG   GLU  57          1HG       GLU  57   4.925  11.516  -5.955
  567    QB   GLU  57           QB       GLU  57   6.655   9.501  -5.506
  568    QG   GLU  57           QG       GLU  57   5.776  11.723  -6.064
   
  No H/Q in entry =         568
  Start of MODEL   45
    1   1H    MET   1          3HT       MET   1  -3.440 -15.492   6.968
    2   2H    MET   1          2HT       MET   1  -3.197 -15.446   8.649
    3   3H    MET   1          1HT       MET   1  -4.153 -14.263   7.895
    4    HA   MET   1           HA       MET   1  -1.957 -13.372   8.443
    5   1HB   MET   1          2HB       MET   1  -1.178 -15.905   8.023
    6   2HB   MET   1          1HB       MET   1  -0.782 -15.246   6.435
    7   1HG   MET   1          2HG       MET   1   0.562 -13.474   7.495
    8   2HG   MET   1          1HG       MET   1   0.161 -14.118   9.087
    9   1HE   MET   1          2HE       MET   1   2.338 -13.858   9.500
   10   2HE   MET   1          1HE       MET   1   3.278 -15.333   9.709
   11   3HE   MET   1          3HE       MET   1   3.645 -14.226   8.379
   12    QB   MET   1           QB       MET   1  -0.980 -15.576   7.229
   13    QG   MET   1           QG       MET   1   0.361 -13.796   8.291
   14    QE   MET   1           QE       MET   1   3.087 -14.472   9.196
   15    H    THR   2           H        THR   2  -2.860 -11.597   7.320
   16    HA   THR   2           HA       THR   2  -2.679 -11.671   4.325
   17    HB   THR   2           HB       THR   2  -4.355  -9.947   6.182
   18    HG1  THR   2          1HG       THR   2  -5.836 -11.432   5.994
   19   1HG2  THR   2          3HG2      THR   2  -3.995 -10.113   3.215
   20   2HG2  THR   2          2HG2      THR   2  -5.597  -9.740   3.851
   21   3HG2  THR   2          1HG2      THR   2  -4.230  -8.694   4.235
   22    QG2  THR   2           QG2      THR   2  -4.607  -9.515   3.767
   23    H    THR   3           H        THR   3  -0.306 -11.177   5.677
   24    HA   THR   3           HA       THR   3   0.172  -8.386   6.264
   25    HB   THR   3           HB       THR   3   2.074 -10.593   5.409
   26    HG1  THR   3          1HG       THR   3   2.017 -11.252   7.444
   27   1HG2  THR   3          1HG2      THR   3   2.407  -7.829   6.400
   28   2HG2  THR   3          3HG2      THR   3   3.380  -9.038   7.238
   29   3HG2  THR   3          2HG2      THR   3   3.527  -8.845   5.492
   30    QG2  THR   3           QG2      THR   3   3.104  -8.571   6.377
   31    H    PHE   4           H        PHE   4  -0.633  -7.171   4.453
   32    HA   PHE   4           HA       PHE   4   0.333  -7.704   1.735
   33   1HB   PHE   4          2HB       PHE   4  -1.481  -5.809   3.159
   34   2HB   PHE   4          1HB       PHE   4  -0.827  -5.278   1.609
   35    HD1  PHE   4          1HD       PHE   4  -0.887  -7.115  -0.305
   36    HD2  PHE   4          2HD       PHE   4  -3.436  -7.089   3.149
   37    HE1  PHE   4          1HE       PHE   4  -2.512  -8.554  -1.498
   38    HE2  PHE   4          2HE       PHE   4  -5.066  -8.527   1.951
   39   1HZ   PHE   4           HZ       PHE   4  -4.604  -9.260  -0.370
   40    QB   PHE   4           QB       PHE   4  -1.154  -5.543   2.384
   41    QG   PHE   4           QD       PHE   4  -2.162  -7.102   1.422
   42    QZ   PHE   4           QE       PHE   4  -3.789  -8.541   0.226
   43    QZ   PHE   4           QR       PHE   4  -3.301  -8.109   0.586
   44    H    LYS   5           H        LYS   5   2.013  -6.630   0.700
   45    HA   LYS   5           HA       LYS   5   3.714  -4.853   2.399
   46   1HB   LYS   5          2HB       LYS   5   4.263  -6.391  -0.166
   47   2HB   LYS   5          1HB       LYS   5   5.469  -5.520   0.781
   48   1HG   LYS   5          2HG       LYS   5   5.044  -6.987   2.707
   49   2HG   LYS   5          1HG       LYS   5   3.802  -7.843   1.795
   50   1HD   LYS   5          2HD       LYS   5   5.621  -8.325   0.056
   51   2HD   LYS   5          1HD       LYS   5   6.777  -7.782   1.273
   52   1HE   LYS   5          2HE       LYS   5   6.215  -9.551   2.761
   53   2HE   LYS   5          1HE       LYS   5   4.717  -9.918   1.880
   54   1HZ   LYS   5          1HZ       LYS   5   7.454 -10.133   0.741
   55   2HZ   LYS   5          3HZ       LYS   5   6.534 -11.448   1.293
   56   3HZ   LYS   5          2HZ       LYS   5   6.002 -10.542  -0.042
   57    QB   LYS   5           QB       LYS   5   4.866  -5.956   0.308
   58    QG   LYS   5           QG       LYS   5   4.423  -7.415   2.251
   59    QD   LYS   5           QD       LYS   5   6.199  -8.053   0.664
   60    QE   LYS   5           QE       LYS   5   5.466  -9.734   2.320
   61    QZ   LYS   5           QZ       LYS   5   6.664 -10.708   0.664
   62    H    LEU   6           H        LEU   6   5.112  -3.405   0.601
   63    HA   LEU   6           HA       LEU   6   3.431  -2.250  -1.505
   64   1HB   LEU   6          2HB       LEU   6   2.410  -1.316   0.525
   65   2HB   LEU   6          1HB       LEU   6   3.987  -0.772   1.094
   66    HG   LEU   6           HG       LEU   6   3.947   0.423  -1.343
   67   1HD1  LEU   6          2HD1      LEU   6   1.155  -0.265  -0.662
   68   2HD1  LEU   6          1HD1      LEU   6   1.423   1.420  -1.106
   69   3HD1  LEU   6          3HD1      LEU   6   1.873   0.134  -2.223
   70   1HD2  LEU   6          3HD2      LEU   6   4.104   1.289   1.159
   71   2HD2  LEU   6          2HD2      LEU   6   3.731   2.406  -0.153
   72   3HD2  LEU   6          1HD2      LEU   6   2.436   1.776   0.862
   73    QB   LEU   6           QB       LEU   6   3.199  -1.044   0.809
   74    QD1  LEU   6           QD1      LEU   6   1.484   0.430  -1.330
   75    QD2  LEU   6           QD2      LEU   6   3.424   1.824   0.623
   76    QQD  LEU   6           QQD      LEU   6   2.454   1.127  -0.354
   77    H    ILE   7           H        ILE   7   5.242  -2.442  -2.890
   78    HA   ILE   7           HA       ILE   7   7.876  -1.425  -2.088
   79    HB   ILE   7           HB       ILE   7   6.716  -2.346  -4.748
   80   1HG1  ILE   7          2HG1      ILE   7   8.488  -3.814  -2.767
   81   2HG1  ILE   7          1HG1      ILE   7   6.747  -4.054  -2.904
   82   1HG2  ILE   7          3HG2      ILE   7   9.453  -1.495  -3.852
   83   2HG2  ILE   7          2HG2      ILE   7   9.310  -2.767  -5.067
   84   3HG2  ILE   7          1HG2      ILE   7   8.626  -1.170  -5.377
   85   1HD1  ILE   7          2HD1      ILE   7   8.344  -4.249  -5.414
   86   2HD1  ILE   7          1HD1      ILE   7   8.497  -5.572  -4.257
   87   3HD1  ILE   7          3HD1      ILE   7   6.916  -5.156  -4.918
   88    QG1  ILE   7           QG1      ILE   7   7.617  -3.934  -2.836
   89    QG2  ILE   7           QG2      ILE   7   9.130  -1.811  -4.765
   90    QD1  ILE   7           QD1      ILE   7   7.919  -4.992  -4.863
   91    H    ILE   8           H        ILE   8   8.571   0.670  -2.490
   92    HA   ILE   8           HA       ILE   8   6.575   2.445  -3.769
   93    HB   ILE   8           HB       ILE   8   9.088   3.382  -2.414
   94   1HG1  ILE   8          2HG1      ILE   8   8.083   1.738  -0.881
   95   2HG1  ILE   8          1HG1      ILE   8   7.865   3.367  -0.258
   96   1HG2  ILE   8          1HG2      ILE   8   6.958   4.657  -3.641
   97   2HG2  ILE   8          3HG2      ILE   8   6.512   4.718  -1.938
   98   3HG2  ILE   8          2HG2      ILE   8   8.050   5.395  -2.476
   99   1HD1  ILE   8          3HD1      ILE   8   5.756   1.970  -1.903
  100   2HD1  ILE   8          2HD1      ILE   8   5.827   1.829  -0.147
  101   3HD1  ILE   8          1HD1      ILE   8   5.573   3.406  -0.895
  102    QG1  ILE   8           QG1      ILE   8   7.974   2.552  -0.570
  103    QG2  ILE   8           QG2      ILE   8   7.174   4.923  -2.685
  104    QD1  ILE   8           QD1      ILE   8   5.719   2.402  -0.982
  105    H    ASN   9           H        ASN   9   6.871   2.891  -5.895
  106    HA   ASN   9           HA       ASN   9   9.554   2.562  -7.122
  107   1HB   ASN   9          2HB       ASN   9   7.574   1.509  -8.114
  108   2HB   ASN   9          1HB       ASN   9   6.777   3.077  -8.221
  109   1HD2  ASN   9          2HD2      ASN   9   8.522   4.069 -11.149
  110   2HD2  ASN   9          1HD2      ASN   9   7.477   4.556  -9.902
  111    QB   ASN   9           QB       ASN   9   7.175   2.293  -8.168
  112    QD2  ASN   9           QD2      ASN   9   7.999   4.313 -10.526
  113    H    GLY  10           H        GLY  10   8.114   5.074  -5.537
  114   1HA   GLY  10          2HA       GLY  10   8.577   7.194  -7.504
  115   2HA   GLY  10          1HA       GLY  10   8.104   7.425  -5.819
  116    QA   GLY  10           QA       GLY  10   8.340   7.309  -6.661
  117    H    LYS  11           H        LYS  11   9.831   9.145  -5.979
  118    HA   LYS  11           HA       LYS  11  12.603   8.047  -5.792
  119   1HB   LYS  11          2HB       LYS  11  13.227  10.437  -6.118
  120   2HB   LYS  11          1HB       LYS  11  12.171   9.857  -7.404
  121   1HG   LYS  11          2HG       LYS  11  10.292  11.007  -6.543
  122   2HG   LYS  11          1HG       LYS  11  11.046  11.233  -4.963
  123   1HD   LYS  11          2HD       LYS  11  12.267  13.042  -5.652
  124   2HD   LYS  11          1HD       LYS  11  12.498  12.396  -7.278
  125   1HE   LYS  11          2HE       LYS  11  10.569  13.362  -8.077
  126   2HE   LYS  11          1HE       LYS  11   9.707  13.148  -6.540
  127   1HZ   LYS  11          3HZ       LYS  11  11.260  14.827  -5.585
  128   2HZ   LYS  11          2HZ       LYS  11  11.822  15.139  -7.157
  129   3HZ   LYS  11          1HZ       LYS  11  10.202  15.453  -6.753
  130    QB   LYS  11           QB       LYS  11  12.699  10.147  -6.761
  131    QG   LYS  11           QG       LYS  11  10.669  11.120  -5.753
  132    QD   LYS  11           QD       LYS  11  12.382  12.719  -6.465
  133    QE   LYS  11           QE       LYS  11  10.138  13.255  -7.308
  134    QZ   LYS  11           QZ       LYS  11  11.095  15.140  -6.498
  135    H    THR  12           H        THR  12  10.478   7.908  -3.638
  136    HA   THR  12           HA       THR  12  12.148   8.976  -1.440
  137    HB   THR  12           HB       THR  12   9.221   9.699  -1.585
  138    HG1  THR  12          1HG       THR  12   9.831  10.786  -3.303
  139   1HG2  THR  12          1HG2      THR  12  11.608  10.453   0.030
  140   2HG2  THR  12          3HG2      THR  12  10.427  11.720  -0.303
  141   3HG2  THR  12          2HG2      THR  12   9.929  10.248   0.531
  142    QG2  THR  12           QG2      THR  12  10.655  10.807   0.086
  143    H    LEU  13           H        LEU  13  10.996   8.397   0.717
  144    HA   LEU  13           HA       LEU  13  10.506   6.574   2.129
  145   1HB   LEU  13          2HB       LEU  13   8.147   6.188   2.057
  146   2HB   LEU  13          1HB       LEU  13   8.394   7.820   1.454
  147    HG   LEU  13           HG       LEU  13   8.386   5.688  -0.600
  148   1HD1  LEU  13          2HD1      LEU  13   6.076   6.234   1.212
  149   2HD1  LEU  13          1HD1      LEU  13   5.754   5.960  -0.500
  150   3HD1  LEU  13          3HD1      LEU  13   6.569   4.721   0.452
  151   1HD2  LEU  13          3HD2      LEU  13   7.899   8.535  -0.361
  152   2HD2  LEU  13          2HD2      LEU  13   8.166   7.582  -1.818
  153   3HD2  LEU  13          1HD2      LEU  13   6.543   7.747  -1.166
  154    QB   LEU  13           QB       LEU  13   8.270   7.004   1.755
  155    QD1  LEU  13           QD1      LEU  13   6.133   5.638   0.388
  156    QD2  LEU  13           QD2      LEU  13   7.536   7.955  -1.115
  157    QQD  LEU  13           QQD      LEU  13   6.834   6.796  -0.364
  158    H    LYS  14           H        LYS  14  12.028   5.699  -0.344
  159    HA   LYS  14           HA       LYS  14  11.091   3.386  -1.570
  160   1HB   LYS  14          2HB       LYS  14  13.561   2.757  -1.627
  161   2HB   LYS  14          1HB       LYS  14  13.172   4.370  -2.214
  162   1HG   LYS  14          2HG       LYS  14  14.220   5.410  -0.461
  163   2HG   LYS  14          1HG       LYS  14  13.785   4.149   0.690
  164   1HD   LYS  14          2HD       LYS  14  15.665   3.359  -1.470
  165   2HD   LYS  14          1HD       LYS  14  16.298   4.469  -0.254
  166   1HE   LYS  14          2HE       LYS  14  14.864   2.508   1.199
  167   2HE   LYS  14          1HE       LYS  14  15.810   1.622  -0.014
  168   1HZ   LYS  14          2HZ       LYS  14  17.757   2.908   0.610
  169   2HZ   LYS  14          1HZ       LYS  14  16.859   3.750   1.781
  170   3HZ   LYS  14          3HZ       LYS  14  17.140   2.086   1.961
  171    QB   LYS  14           QB       LYS  14  13.367   3.564  -1.921
  172    QG   LYS  14           QG       LYS  14  14.002   4.780   0.115
  173    QD   LYS  14           QD       LYS  14  15.981   3.914  -0.862
  174    QE   LYS  14           QE       LYS  14  15.337   2.065   0.592
  175    QZ   LYS  14           QZ       LYS  14  17.252   2.915   1.450
  176    H    GLY  15           H        GLY  15  10.264   1.528  -0.707
  177   1HA   GLY  15          2HA       GLY  15  11.635  -0.210   1.022
  178   2HA   GLY  15          1HA       GLY  15  10.638   0.802   2.065
  179    QA   GLY  15           QA       GLY  15  11.137   0.296   1.543
  180    H    GLU  16           H        GLU  16   9.809  -1.550   2.406
  181    HA   GLU  16           HA       GLU  16   7.599  -2.138   0.457
  182   1HB   GLU  16          2HB       GLU  16   9.607  -3.748   1.935
  183   2HB   GLU  16          1HB       GLU  16   7.986  -4.439   1.849
  184   1HG   GLU  16          2HG       GLU  16   8.034  -4.039  -0.641
  185   2HG   GLU  16          1HG       GLU  16   9.730  -3.584  -0.474
  186    QB   GLU  16           QB       GLU  16   8.796  -4.094   1.892
  187    QG   GLU  16           QG       GLU  16   8.882  -3.811  -0.558
  188    H    ILE  17           H        ILE  17   8.514  -1.836   3.862
  189    HA   ILE  17           HA       ILE  17   7.243  -1.967   5.853
  190    HB   ILE  17           HB       ILE  17   5.428  -0.209   5.763
  191   1HG1  ILE  17          2HG1      ILE  17   6.350   0.156   2.898
  192   2HG1  ILE  17          1HG1      ILE  17   4.838  -0.639   3.329
  193   1HG2  ILE  17          3HG2      ILE  17   8.177   0.356   4.640
  194   2HG2  ILE  17          2HG2      ILE  17   7.064   1.623   5.156
  195   3HG2  ILE  17          1HG2      ILE  17   7.664   0.445   6.325
  196   1HD1  ILE  17          2HD1      ILE  17   4.580   1.595   4.811
  197   2HD1  ILE  17          1HD1      ILE  17   5.581   2.233   3.506
  198   3HD1  ILE  17          3HD1      ILE  17   4.022   1.496   3.141
  199    QG1  ILE  17           QG1      ILE  17   5.594  -0.241   3.113
  200    QG2  ILE  17           QG2      ILE  17   7.635   0.808   5.374
  201    QD1  ILE  17           QD1      ILE  17   4.728   1.775   3.819
  202    H    THR  18           H        THR  18   6.589  -4.209   5.727
  203    HA   THR  18           HA       THR  18   4.150  -5.074   4.434
  204    HB   THR  18           HB       THR  18   4.573  -7.122   5.736
  205    HG1  THR  18          1HG       THR  18   6.317  -7.044   7.255
  206   1HG2  THR  18          3HG2      THR  18   6.299  -5.995   3.890
  207   2HG2  THR  18          2HG2      THR  18   7.373  -6.423   5.222
  208   3HG2  THR  18          1HG2      THR  18   6.367  -7.660   4.467
  209    QG2  THR  18           QG2      THR  18   6.680  -6.692   4.526
  210    H    ILE  19           H        ILE  19   2.059  -5.224   5.277
  211    HA   ILE  19           HA       ILE  19   1.598  -4.620   8.149
  212    HB   ILE  19           HB       ILE  19  -0.006  -2.825   7.541
  213   1HG1  ILE  19          2HG1      ILE  19   0.530  -2.007   5.029
  214   2HG1  ILE  19          1HG1      ILE  19   0.733  -3.745   4.803
  215   1HG2  ILE  19          1HG2      ILE  19   2.479  -2.416   7.976
  216   2HG2  ILE  19          3HG2      ILE  19   2.664  -2.289   6.227
  217   3HG2  ILE  19          2HG2      ILE  19   1.631  -1.148   7.089
  218   1HD1  ILE  19          2HD1      ILE  19  -1.559  -3.737   6.243
  219   2HD1  ILE  19          1HD1      ILE  19  -1.723  -2.188   5.417
  220   3HD1  ILE  19          3HD1      ILE  19  -1.534  -3.670   4.481
  221    QG1  ILE  19           QG1      ILE  19   0.631  -2.876   4.916
  222    QG2  ILE  19           QG2      ILE  19   2.258  -1.951   7.097
  223    QD1  ILE  19           QD1      ILE  19  -1.605  -3.198   5.380
  224    H    GLU  20           H        GLU  20  -0.092  -5.820   8.929
  225    HA   GLU  20           HA       GLU  20  -1.451  -7.729   7.195
  226   1HB   GLU  20          2HB       GLU  20  -2.501  -8.394   9.349
  227   2HB   GLU  20          1HB       GLU  20  -0.753  -8.221   9.506
  228   1HG   GLU  20          2HG       GLU  20  -1.730  -5.659  10.052
  229   2HG   GLU  20          1HG       GLU  20  -2.891  -6.730  10.833
  230    QB   GLU  20           QB       GLU  20  -1.627  -8.307   9.427
  231    QG   GLU  20           QG       GLU  20  -2.310  -6.194  10.442
  232    H    ALA  21           H        ALA  21  -3.783  -7.842   6.896
  233    HA   ALA  21           HA       ALA  21  -5.540  -5.661   7.689
  234   1HB   ALA  21          1HB       ALA  21  -4.160  -5.712   5.023
  235   2HB   ALA  21          3HB       ALA  21  -5.804  -5.080   5.115
  236   3HB   ALA  21          2HB       ALA  21  -4.519  -4.334   6.065
  237    QB   ALA  21           QB       ALA  21  -4.828  -5.042   5.401
  238    H    VAL  22           H        VAL  22  -7.739  -6.021   6.886
  239    HA   VAL  22           HA       VAL  22  -8.627  -8.683   6.824
  240    HB   VAL  22           HB       VAL  22 -10.013  -6.711   7.307
  241   1HG1  VAL  22          1HG1      VAL  22  -8.861  -5.396   5.369
  242   2HG1  VAL  22          3HG1      VAL  22 -10.120  -6.105   4.360
  243   3HG1  VAL  22          2HG1      VAL  22 -10.558  -5.071   5.717
  244   1HG2  VAL  22          2HG2      VAL  22 -10.871  -8.948   6.096
  245   2HG2  VAL  22          1HG2      VAL  22 -11.964  -7.619   6.481
  246   3HG2  VAL  22          3HG2      VAL  22 -11.320  -7.784   4.849
  247    QG1  VAL  22           QG1      VAL  22  -9.847  -5.524   5.149
  248    QG2  VAL  22           QG2      VAL  22 -11.385  -8.117   5.809
  249    QQG  VAL  22           QQG      VAL  22 -10.616  -6.821   5.479
  250    H    ASP  23           H        ASP  23  -7.839  -6.535   4.096
  251    HA   ASP  23           HA       ASP  23  -7.338  -8.839   2.346
  252   1HB   ASP  23          2HB       ASP  23  -9.072  -8.099   0.693
  253   2HB   ASP  23          1HB       ASP  23  -9.773  -8.649   2.212
  254    QB   ASP  23           QB       ASP  23  -9.423  -8.374   1.453
  255    H    ALA  24           H        ALA  24  -6.861  -7.854   0.000
  256    HA   ALA  24           HA       ALA  24  -4.719  -5.976   0.274
  257   1HB   ALA  24          1HB       ALA  24  -5.448  -7.743  -1.586
  258   2HB   ALA  24          3HB       ALA  24  -6.187  -6.315  -2.314
  259   3HB   ALA  24          2HB       ALA  24  -4.452  -6.345  -1.996
  260    QB   ALA  24           QB       ALA  24  -5.362  -6.801  -1.965
  261    H    ALA  25           H        ALA  25  -8.143  -5.579  -0.553
  262    HA   ALA  25           HA       ALA  25  -8.167  -2.931  -1.508
  263   1HB   ALA  25          3HB       ALA  25  -9.995  -4.863  -0.963
  264   2HB   ALA  25          2HB       ALA  25 -10.309  -3.759   0.377
  265   3HB   ALA  25          1HB       ALA  25 -10.441  -3.187  -1.286
  266    QB   ALA  25           QB       ALA  25 -10.248  -3.936  -0.624
  267    H    GLU  26           H        GLU  26  -8.319  -4.127   1.844
  268    HA   GLU  26           HA       GLU  26  -8.430  -1.511   3.083
  269   1HB   GLU  26          2HB       GLU  26  -8.785  -4.125   3.840
  270   2HB   GLU  26          1HB       GLU  26  -7.210  -3.776   4.552
  271   1HG   GLU  26          2HG       GLU  26  -8.511  -1.524   5.263
  272   2HG   GLU  26          1HG       GLU  26  -9.879  -2.637   5.206
  273    QB   GLU  26           QB       GLU  26  -7.998  -3.950   4.196
  274    QG   GLU  26           QG       GLU  26  -9.195  -2.080   5.235
  275    H    ALA  27           H        ALA  27  -5.796  -3.842   2.432
  276    HA   ALA  27           HA       ALA  27  -3.628  -2.425   3.600
  277   1HB   ALA  27          2HB       ALA  27  -4.061  -4.448   1.466
  278   2HB   ALA  27          1HB       ALA  27  -2.522  -3.583   1.391
  279   3HB   ALA  27          3HB       ALA  27  -2.958  -4.489   2.843
  280    QB   ALA  27           QB       ALA  27  -3.180  -4.173   1.900
  281    H    GLU  28           H        GLU  28  -5.130  -2.115   0.394
  282    HA   GLU  28           HA       GLU  28  -3.307  -0.230  -0.734
  283   1HB   GLU  28          2HB       GLU  28  -5.353  -1.638  -1.671
  284   2HB   GLU  28          1HB       GLU  28  -6.248  -0.159  -1.321
  285   1HG   GLU  28          2HG       GLU  28  -4.609   1.132  -2.670
  286   2HG   GLU  28          1HG       GLU  28  -3.771  -0.368  -3.073
  287    QB   GLU  28           QB       GLU  28  -5.801  -0.898  -1.496
  288    QG   GLU  28           QG       GLU  28  -4.190   0.382  -2.871
  289    H    LYS  29           H        LYS  29  -6.254   0.254   1.275
  290    HA   LYS  29           HA       LYS  29  -6.059   3.157   1.091
  291   1HB   LYS  29          2HB       LYS  29  -8.039   3.135   2.334
  292   2HB   LYS  29          1HB       LYS  29  -8.100   1.582   1.522
  293   1HG   LYS  29          2HG       LYS  29  -8.402   0.639   3.543
  294   2HG   LYS  29          1HG       LYS  29  -6.748   1.063   3.931
  295   1HD   LYS  29          2HD       LYS  29  -9.153   2.840   4.381
  296   2HD   LYS  29          1HD       LYS  29  -8.311   1.927   5.632
  297   1HE   LYS  29          2HE       LYS  29  -6.297   3.228   5.345
  298   2HE   LYS  29          1HE       LYS  29  -6.949   4.007   3.887
  299   1HZ   LYS  29          2HZ       LYS  29  -8.801   4.840   5.257
  300   2HZ   LYS  29          1HZ       LYS  29  -8.052   4.202   6.642
  301   3HZ   LYS  29          3HZ       LYS  29  -7.299   5.447   5.771
  302    QB   LYS  29           QB       LYS  29  -8.069   2.359   1.928
  303    QG   LYS  29           QG       LYS  29  -7.575   0.851   3.737
  304    QD   LYS  29           QD       LYS  29  -8.732   2.384   5.007
  305    QE   LYS  29           QE       LYS  29  -6.623   3.618   4.616
  306    QZ   LYS  29           QZ       LYS  29  -8.051   4.830   5.890
  307    H    ILE  30           H        ILE  30  -4.889   0.688   3.346
  308    HA   ILE  30           HA       ILE  30  -3.970   2.516   5.402
  309    HB   ILE  30           HB       ILE  30  -3.020  -0.254   4.563
  310   1HG1  ILE  30          2HG1      ILE  30  -4.879   0.363   6.853
  311   2HG1  ILE  30          1HG1      ILE  30  -5.516   0.166   5.220
  312   1HG2  ILE  30          1HG2      ILE  30  -1.721   1.410   6.257
  313   2HG2  ILE  30          3HG2      ILE  30  -2.867   0.681   7.382
  314   3HG2  ILE  30          2HG2      ILE  30  -1.753  -0.340   6.473
  315   1HD1  ILE  30          3HD1      ILE  30  -3.594  -1.923   6.053
  316   2HD1  ILE  30          2HD1      ILE  30  -5.106  -1.902   6.963
  317   3HD1  ILE  30          1HD1      ILE  30  -5.136  -2.079   5.209
  318    QG1  ILE  30           QG1      ILE  30  -5.197   0.265   6.037
  319    QG2  ILE  30           QG2      ILE  30  -2.114   0.583   6.704
  320    QD1  ILE  30           QD1      ILE  30  -4.612  -1.968   6.075
  321    H    PHE  31           H        PHE  31  -2.613   1.071   2.489
  322    HA   PHE  31           HA       PHE  31   0.035   2.257   2.778
  323   1HB   PHE  31          2HB       PHE  31  -1.554   0.787   0.673
  324   2HB   PHE  31          1HB       PHE  31  -0.010   1.525   0.250
  325    HD1  PHE  31          1HD       PHE  31   1.674   1.129   2.566
  326    HD2  PHE  31          2HD       PHE  31  -1.267  -1.516   0.885
  327    HE1  PHE  31          1HE       PHE  31   2.868  -0.816   3.536
  328    HE2  PHE  31          2HE       PHE  31  -0.069  -3.458   1.855
  329   1HZ   PHE  31           HZ       PHE  31   1.997  -3.108   3.179
  330    QB   PHE  31           QB       PHE  31  -0.782   1.156   0.462
  331    QG   PHE  31           QD       PHE  31   0.204  -0.193   1.726
  332    QZ   PHE  31           QE       PHE  31   1.400  -2.137   2.695
  333    QZ   PHE  31           QR       PHE  31   1.041  -1.553   2.404
  334    H    LYS  32           H        LYS  32  -2.983   3.043   1.078
  335    HA   LYS  32           HA       LYS  32  -1.904   5.368  -0.271
  336   1HB   LYS  32          2HB       LYS  32  -4.631   4.169   0.145
  337   2HB   LYS  32          1HB       LYS  32  -4.429   5.714  -0.672
  338   1HG   LYS  32          2HG       LYS  32  -3.014   4.722  -2.361
  339   2HG   LYS  32          1HG       LYS  32  -2.986   3.185  -1.499
  340   1HD   LYS  32          2HD       LYS  32  -4.593   3.015  -3.311
  341   2HD   LYS  32          1HD       LYS  32  -5.478   3.051  -1.785
  342   1HE   LYS  32          2HE       LYS  32  -5.949   5.445  -2.078
  343   2HE   LYS  32          1HE       LYS  32  -5.005   5.459  -3.581
  344   1HZ   LYS  32          1HZ       LYS  32  -6.461   3.697  -4.434
  345   2HZ   LYS  32          3HZ       LYS  32  -7.405   3.795  -3.029
  346   3HZ   LYS  32          2HZ       LYS  32  -7.328   5.118  -4.091
  347    QB   LYS  32           QB       LYS  32  -4.530   4.941  -0.263
  348    QG   LYS  32           QG       LYS  32  -3.000   3.953  -1.930
  349    QD   LYS  32           QD       LYS  32  -5.036   3.033  -2.548
  350    QE   LYS  32           QE       LYS  32  -5.477   5.452  -2.830
  351    QZ   LYS  32           QZ       LYS  32  -7.065   4.203  -3.852
  352    H    GLN  33           H        GLN  33  -2.496   4.879   2.959
  353    HA   GLN  33           HA       GLN  33  -3.544   7.661   3.427
  354   1HB   GLN  33          2HB       GLN  33  -4.670   5.645   4.484
  355   2HB   GLN  33          1HB       GLN  33  -3.153   5.300   5.316
  356   1HG   GLN  33          2HG       GLN  33  -3.246   7.501   6.416
  357   2HG   GLN  33          1HG       GLN  33  -4.753   7.863   5.579
  358   1HE2  GLN  33          2HE2      GLN  33  -5.943   6.616   8.794
  359   2HE2  GLN  33          1HE2      GLN  33  -5.313   8.033   8.104
  360    QB   GLN  33           QB       GLN  33  -3.911   5.473   4.900
  361    QG   GLN  33           QG       GLN  33  -3.999   7.682   5.997
  362    QE2  GLN  33           QE2      GLN  33  -5.628   7.325   8.449
  363    H    TYR  34           H        TYR  34  -1.157   5.257   4.245
  364    HA   TYR  34           HA       TYR  34   0.751   6.626   5.787
  365   1HB   TYR  34          2HB       TYR  34   0.921   4.303   5.469
  366   2HB   TYR  34          1HB       TYR  34   0.572   4.423   3.740
  367    HD1  TYR  34          2HD       TYR  34   3.187   5.367   6.288
  368    HD2  TYR  34          1HD       TYR  34   2.373   4.242   2.224
  369    HE1  TYR  34          2HE       TYR  34   5.621   5.282   5.824
  370    HE2  TYR  34          1HE       TYR  34   4.807   4.157   1.760
  371    HH   TYR  34           HH       TYR  34   7.159   4.257   4.255
  372    QB   TYR  34           QB       TYR  34   0.747   4.363   4.604
  373    QG   TYR  34           QD       TYR  34   2.780   4.805   4.256
  374    QZ   TYR  34           QE       TYR  34   5.214   4.720   3.792
  375    QR   TYR  34           QR       TYR  34   3.997   4.762   4.024
  376    H    ALA  35           H        ALA  35   0.278   6.541   2.261
  377    HA   ALA  35           HA       ALA  35   2.602   8.143   1.542
  378   1HB   ALA  35          1HB       ALA  35   0.225   6.890   0.285
  379   2HB   ALA  35          3HB       ALA  35   0.801   8.356  -0.521
  380   3HB   ALA  35          2HB       ALA  35   1.889   6.976  -0.303
  381    QB   ALA  35           QB       ALA  35   0.972   7.407  -0.180
  382    H    ASN  36           H        ASN  36  -0.914   8.782   1.737
  383    HA   ASN  36           HA       ASN  36  -0.801  11.578   1.090
  384   1HB   ASN  36          2HB       ASN  36  -2.744   9.681   2.358
  385   2HB   ASN  36          1HB       ASN  36  -3.108  11.406   2.329
  386   1HD2  ASN  36          2HD2      ASN  36  -2.827   9.444  -1.286
  387   2HD2  ASN  36          1HD2      ASN  36  -1.928   8.867   0.033
  388    QB   ASN  36           QB       ASN  36  -2.926  10.543   2.343
  389    QD2  ASN  36           QD2      ASN  36  -2.377   9.155  -0.627
  390    H    ASP  37           H        ASP  37  -1.048   9.906   4.245
  391    HA   ASP  37           HA       ASP  37  -1.276  12.070   5.989
  392   1HB   ASP  37          2HB       ASP  37  -0.158   9.338   6.042
  393   2HB   ASP  37          1HB       ASP  37   0.432  10.398   7.323
  394    QB   ASP  37           QB       ASP  37   0.137   9.868   6.683
  395    H    ASN  38           H        ASN  38   1.528  11.093   4.185
  396    HA   ASN  38           HA       ASN  38   3.230  13.060   5.579
  397   1HB   ASN  38          2HB       ASN  38   3.856  10.614   5.097
  398   2HB   ASN  38          1HB       ASN  38   4.006  11.109   3.411
  399   1HD2  ASN  38          2HD2      ASN  38   7.359  11.957   4.148
  400   2HD2  ASN  38          1HD2      ASN  38   6.311  10.974   3.244
  401    QB   ASN  38           QB       ASN  38   3.931  10.861   4.254
  402    QD2  ASN  38           QD2      ASN  38   6.835  11.465   3.696
  403    H    GLY  39           H        GLY  39   2.250  12.122   2.290
  404   1HA   GLY  39          2HA       GLY  39   1.454  14.143   0.897
  405   2HA   GLY  39          1HA       GLY  39   3.027  14.836   1.312
  406    QA   GLY  39           QA       GLY  39   2.241  14.489   1.105
  407    H    ILE  40           H        ILE  40   1.773  11.704   0.135
  408    HA   ILE  40           HA       ILE  40   4.120  11.542  -1.730
  409    HB   ILE  40           HB       ILE  40   2.353   9.541  -0.347
  410   1HG1  ILE  40          2HG1      ILE  40   4.414  11.115   0.708
  411   2HG1  ILE  40          1HG1      ILE  40   3.722   9.690   1.453
  412   1HG2  ILE  40          2HG2      ILE  40   3.245   8.736  -2.524
  413   2HG2  ILE  40          1HG2      ILE  40   4.877   8.994  -1.906
  414   3HG2  ILE  40          3HG2      ILE  40   3.821   7.806  -1.137
  415   1HD1  ILE  40          2HD1      ILE  40   5.984   9.549  -0.526
  416   2HD1  ILE  40          1HD1      ILE  40   6.256   9.737   1.211
  417   3HD1  ILE  40          3HD1      ILE  40   5.438   8.296   0.598
  418    QG1  ILE  40           QG1      ILE  40   4.068  10.403   1.080
  419    QG2  ILE  40           QG2      ILE  40   3.981   8.512  -1.856
  420    QD1  ILE  40           QD1      ILE  40   5.893   9.194   0.428
  421    H    ASP  41           H        ASP  41   3.601  11.128  -3.951
  422    HA   ASP  41           HA       ASP  41   0.926  10.224  -4.729
  423   1HB   ASP  41          2HB       ASP  41   0.295  12.370  -5.813
  424   2HB   ASP  41          1HB       ASP  41   0.486  12.540  -4.069
  425    QB   ASP  41           QB       ASP  41   0.390  12.455  -4.941
  426    H    GLY  42           H        GLY  42   1.185   9.101  -6.535
  427   1HA   GLY  42          2HA       GLY  42   2.558  10.089  -8.880
  428   2HA   GLY  42          1HA       GLY  42   3.445   8.771  -8.110
  429    QA   GLY  42           QA       GLY  42   3.001   9.430  -8.495
  430    H    GLU  43           H        GLU  43   2.702   6.681  -8.384
  431    HA   GLU  43           HA       GLU  43   0.020   6.320  -9.695
  432   1HB   GLU  43          2HB       GLU  43   2.380   6.051 -10.971
  433   2HB   GLU  43          1HB       GLU  43   2.263   4.437 -10.268
  434   1HG   GLU  43          2HG       GLU  43   0.173   4.014 -11.349
  435   2HG   GLU  43          1HG       GLU  43  -0.007   5.706 -11.813
  436    QB   GLU  43           QB       GLU  43   2.321   5.244 -10.620
  437    QG   GLU  43           QG       GLU  43   0.083   4.860 -11.581
  438    H    TRP  44           H        TRP  44  -0.638   3.869  -9.455
  439    HA   TRP  44           HA       TRP  44   0.389   2.570  -6.963
  440   1HB   TRP  44          2HB       TRP  44  -2.302   3.856  -7.394
  441   2HB   TRP  44          1HB       TRP  44  -2.176   2.432  -6.356
  442    HD1  TRP  44           HD       TRP  44  -0.999   6.063  -6.610
  443    HE1  TRP  44          1HE       TRP  44  -0.162   6.801  -4.287
  444    HE3  TRP  44          3HE       TRP  44  -1.248   1.601  -4.157
  445    HZ2  TRP  44          2HZ       TRP  44   0.344   5.645  -1.723
  446    HZ3  TRP  44          3HZ       TRP  44  -0.572   1.448  -1.768
  447    HH2  TRP  44           HH       TRP  44   0.226   3.468  -0.560
  448    QB   TRP  44           QB       TRP  44  -2.239   3.144  -6.875
  449    H    THR  45           H        THR  45   0.392   0.393  -7.267
  450    HA   THR  45           HA       THR  45  -1.635  -0.829  -9.083
  451    HB   THR  45           HB       THR  45   0.011  -1.891 -10.431
  452    HG1  THR  45          1HG       THR  45   1.618  -2.575  -9.255
  453   1HG2  THR  45          2HG2      THR  45  -0.250   0.510 -10.944
  454   2HG2  THR  45          1HG2      THR  45   1.071   0.879  -9.832
  455   3HG2  THR  45          3HG2      THR  45   1.384  -0.049 -11.301
  456    QG2  THR  45           QG2      THR  45   0.735   0.447 -10.692
  457    H    TYR  46           H        TYR  46  -2.385  -2.690  -8.210
  458    HA   TYR  46           HA       TYR  46  -1.039  -3.754  -5.783
  459   1HB   TYR  46          2HB       TYR  46  -3.383  -3.291  -5.553
  460   2HB   TYR  46          1HB       TYR  46  -3.764  -4.133  -7.060
  461    HD1  TYR  46          2HD       TYR  46  -1.811  -4.911  -3.947
  462    HD2  TYR  46          1HD       TYR  46  -4.791  -6.209  -6.752
  463    HE1  TYR  46          2HE       TYR  46  -2.036  -7.048  -2.716
  464    HE2  TYR  46          1HE       TYR  46  -5.007  -8.355  -5.524
  465    HH   TYR  46           HH       TYR  46  -2.826  -9.499  -3.419
  466    QB   TYR  46           QB       TYR  46  -3.573  -3.712  -6.307
  467    QG   TYR  46           QD       TYR  46  -3.301  -5.560  -5.349
  468    QZ   TYR  46           QE       TYR  46  -3.521  -7.702  -4.120
  469    QR   TYR  46           QR       TYR  46  -3.411  -6.631  -4.735
  470    H    ASP  47           H        ASP  47   0.026  -5.706  -5.817
  471    HA   ASP  47           HA       ASP  47   0.067  -7.223  -8.391
  472   1HB   ASP  47          2HB       ASP  47   2.089  -6.180  -6.971
  473   2HB   ASP  47          1HB       ASP  47   1.959  -7.727  -6.133
  474    QB   ASP  47           QB       ASP  47   2.024  -6.953  -6.552
  475    H    ASP  48           H        ASP  48  -1.710  -8.614  -8.166
  476    HA   ASP  48           HA       ASP  48  -2.419  -9.978  -5.722
  477   1HB   ASP  48          2HB       ASP  48  -3.935  -9.462  -7.624
  478   2HB   ASP  48          1HB       ASP  48  -3.053 -10.623  -8.617
  479    QB   ASP  48           QB       ASP  48  -3.494 -10.043  -8.120
  480    H    ALA  49           H        ALA  49   0.211 -10.503  -7.785
  481    HA   ALA  49           HA       ALA  49   0.276 -13.440  -7.479
  482   1HB   ALA  49          2HB       ALA  49   1.580 -11.316  -9.072
  483   2HB   ALA  49          1HB       ALA  49   2.644 -12.648  -8.620
  484   3HB   ALA  49          3HB       ALA  49   1.168 -12.968  -9.532
  485    QB   ALA  49           QB       ALA  49   1.797 -12.311  -9.075
  486    H    THR  50           H        THR  50   1.706 -10.523  -6.121
  487    HA   THR  50           HA       THR  50   3.302 -12.238  -4.244
  488    HB   THR  50           HB       THR  50   4.923 -10.348  -4.249
  489    HG1  THR  50          1HG       THR  50   3.301  -9.328  -6.334
  490   1HG2  THR  50          1HG2      THR  50   4.783 -12.304  -6.025
  491   2HG2  THR  50          3HG2      THR  50   4.437 -10.979  -7.134
  492   3HG2  THR  50          2HG2      THR  50   5.948 -10.996  -6.225
  493    QG2  THR  50           QG2      THR  50   5.056 -11.426  -6.462
  494    H    LYS  51           H        LYS  51   0.561 -10.443  -4.392
  495    HA   LYS  51           HA       LYS  51  -0.707  -9.234  -2.812
  496   1HB   LYS  51          2HB       LYS  51   1.279 -10.605  -0.964
  497   2HB   LYS  51          1HB       LYS  51  -0.271  -9.925  -0.475
  498   1HG   LYS  51          2HG       LYS  51  -0.419 -11.824  -2.739
  499   2HG   LYS  51          1HG       LYS  51   0.094 -12.537  -1.211
  500   1HD   LYS  51          2HD       LYS  51  -1.930 -11.135  -0.241
  501   2HD   LYS  51          1HD       LYS  51  -2.505 -11.222  -1.908
  502   1HE   LYS  51          2HE       LYS  51  -2.464 -13.641  -1.874
  503   2HE   LYS  51          1HE       LYS  51  -1.655 -13.651  -0.295
  504   1HZ   LYS  51          2HZ       LYS  51  -4.280 -12.360  -0.804
  505   2HZ   LYS  51          1HZ       LYS  51  -4.110 -13.922  -0.160
  506   3HZ   LYS  51          3HZ       LYS  51  -3.522 -12.584   0.700
  507    QB   LYS  51           QB       LYS  51   0.504 -10.265  -0.719
  508    QG   LYS  51           QG       LYS  51  -0.162 -12.180  -1.975
  509    QD   LYS  51           QD       LYS  51  -2.217 -11.178  -1.075
  510    QE   LYS  51           QE       LYS  51  -2.059 -13.646  -1.084
  511    QZ   LYS  51           QZ       LYS  51  -3.971 -12.955  -0.088
  512    H    THR  52           H        THR  52   1.496  -7.829  -4.054
  513    HA   THR  52           HA       THR  52   2.191  -5.917  -1.840
  514    HB   THR  52           HB       THR  52   3.927  -6.648  -4.213
  515    HG1  THR  52          1HG       THR  52   4.484  -8.355  -3.157
  516   1HG2  THR  52          3HG2      THR  52   4.163  -4.908  -1.813
  517   2HG2  THR  52          2HG2      THR  52   5.600  -5.820  -2.276
  518   3HG2  THR  52          1HG2      THR  52   4.856  -4.707  -3.423
  519    QG2  THR  52           QG2      THR  52   4.873  -5.145  -2.504
  520    H    PHE  53           H        PHE  53   1.924  -3.738  -2.365
  521    HA   PHE  53           HA       PHE  53   0.595  -3.140  -4.944
  522   1HB   PHE  53          2HB       PHE  53   1.038  -1.656  -2.343
  523   2HB   PHE  53          1HB       PHE  53   0.234  -0.921  -3.731
  524    HD1  PHE  53          2HD       PHE  53   0.083  -3.837  -1.399
  525    HD2  PHE  53          1HD       PHE  53  -2.066  -1.351  -4.179
  526    HE1  PHE  53          2HE       PHE  53  -2.047  -4.938  -0.744
  527    HE2  PHE  53          1HE       PHE  53  -4.182  -2.461  -3.523
  528   1HZ   PHE  53           HZ       PHE  53  -4.173  -4.251  -1.811
  529    QB   PHE  53           QB       PHE  53   0.636  -1.288  -3.037
  530    QG   PHE  53           QD       PHE  53  -0.992  -2.594  -2.789
  531    QZ   PHE  53           QE       PHE  53  -3.114  -3.700  -2.133
  532    QZ   PHE  53           QR       PHE  53  -2.477  -3.368  -2.331
  533    H    THR  54           H        THR  54   1.356  -0.517  -5.492
  534    HA   THR  54           HA       THR  54   4.295  -0.325  -5.408
  535    HB   THR  54           HB       THR  54   3.007  -0.255  -8.116
  536    HG1  THR  54          1HG       THR  54   2.300  -2.220  -7.412
  537   1HG2  THR  54          2HG2      THR  54   5.711  -0.832  -6.938
  538   2HG2  THR  54          1HG2      THR  54   5.322  -1.365  -8.574
  539   3HG2  THR  54          3HG2      THR  54   5.269   0.351  -8.169
  540    QG2  THR  54           QG2      THR  54   5.434  -0.615  -7.893
  541    H    VAL  55           H        VAL  55   3.883   1.626  -4.346
  542    HA   VAL  55           HA       VAL  55   2.177   3.628  -5.693
  543    HB   VAL  55           HB       VAL  55   1.795   3.428  -3.350
  544   1HG1  VAL  55          1HG1      VAL  55   4.799   3.553  -3.093
  545   2HG1  VAL  55          3HG1      VAL  55   3.728   3.856  -1.723
  546   3HG1  VAL  55          2HG1      VAL  55   3.692   2.290  -2.538
  547   1HG2  VAL  55          1HG2      VAL  55   1.908   5.776  -4.187
  548   2HG2  VAL  55          3HG2      VAL  55   2.327   5.650  -2.474
  549   3HG2  VAL  55          2HG2      VAL  55   3.598   5.845  -3.686
  550    QG1  VAL  55           QG1      VAL  55   4.073   3.233  -2.451
  551    QG2  VAL  55           QG2      VAL  55   2.611   5.757  -3.449
  552    QQG  VAL  55           QQG      VAL  55   3.342   4.495  -2.950
  553    H    THR  56           H        THR  56   3.183   4.586  -7.358
  554    HA   THR  56           HA       THR  56   6.052   5.253  -7.289
  555    HB   THR  56           HB       THR  56   3.748   5.233  -9.207
  556    HG1  THR  56          1HG       THR  56   4.927   3.582  -9.658
  557   1HG2  THR  56          2HG2      THR  56   6.244   6.877  -9.712
  558   2HG2  THR  56          1HG2      THR  56   5.016   6.488 -10.917
  559   3HG2  THR  56          3HG2      THR  56   4.605   7.511  -9.539
  560    QG2  THR  56           QG2      THR  56   5.288   6.959 -10.056
  561    H    GLU  57           H        GLU  57   6.549   7.664  -7.910
  562    HA   GLU  57           HA       GLU  57   4.580   9.546  -6.665
  563   1HB   GLU  57          2HB       GLU  57   6.560   8.550  -5.194
  564   2HB   GLU  57          1HB       GLU  57   7.511   9.770  -6.042
  565   1HG   GLU  57          2HG       GLU  57   5.393  11.286  -5.372
  566   2HG   GLU  57          1HG       GLU  57   5.326  10.119  -4.050
  567    QB   GLU  57           QB       GLU  57   7.036   9.160  -5.618
  568    QG   GLU  57           QG       GLU  57   5.359  10.703  -4.711
   
  No H/Q in entry =         568
  Start of MODEL   46
    1   1H    MET   1          2HT       MET   1  -0.534 -14.425   7.305
    2   2H    MET   1          1HT       MET   1  -1.648 -13.665   8.340
    3   3H    MET   1          3HT       MET   1  -1.268 -15.303   8.560
    4    HA   MET   1           HA       MET   1  -2.380 -15.941   6.573
    5   1HB   MET   1          2HB       MET   1  -3.624 -14.171   8.610
    6   2HB   MET   1          1HB       MET   1  -4.610 -14.521   7.191
    7   1HG   MET   1          2HG       MET   1  -4.529 -16.863   7.577
    8   2HG   MET   1          1HG       MET   1  -3.196 -16.707   8.720
    9   1HE   MET   1          2HE       MET   1  -3.518 -17.477  10.543
   10   2HE   MET   1          1HE       MET   1  -3.772 -16.069  11.571
   11   3HE   MET   1          3HE       MET   1  -4.885 -17.442  11.652
   12    QB   MET   1           QB       MET   1  -4.117 -14.346   7.900
   13    QG   MET   1           QG       MET   1  -3.863 -16.785   8.149
   14    QE   MET   1           QE       MET   1  -4.059 -16.996  11.255
   15    H    THR   2           H        THR   2  -2.472 -12.385   6.988
   16    HA   THR   2           HA       THR   2  -2.932 -12.114   4.038
   17    HB   THR   2           HB       THR   2  -3.504 -10.281   6.390
   18    HG1  THR   2          1HG       THR   2  -4.918 -12.029   6.168
   19   1HG2  THR   2          2HG2      THR   2  -3.222  -9.733   3.557
   20   2HG2  THR   2          1HG2      THR   2  -4.875  -9.420   4.084
   21   3HG2  THR   2          3HG2      THR   2  -3.528  -8.600   4.879
   22    QG2  THR   2           QG2      THR   2  -3.875  -9.251   4.174
   23    H    THR   3           H        THR   3  -1.640  -9.721   6.326
   24    HA   THR   3           HA       THR   3   0.286  -8.389   6.204
   25    HB   THR   3           HB       THR   3   1.503 -10.913   5.076
   26    HG1  THR   3          1HG       THR   3   0.923 -10.143   7.742
   27   1HG2  THR   3          3HG2      THR   3   2.554  -8.344   5.761
   28   2HG2  THR   3          2HG2      THR   3   3.096  -9.490   6.995
   29   3HG2  THR   3          1HG2      THR   3   3.446  -9.799   5.295
   30    QG2  THR   3           QG2      THR   3   3.032  -9.211   6.017
   31    H    PHE   4           H        PHE   4  -0.234  -6.886   4.588
   32    HA   PHE   4           HA       PHE   4   0.413  -7.637   1.763
   33   1HB   PHE   4          2HB       PHE   4  -1.424  -5.740   3.154
   34   2HB   PHE   4          1HB       PHE   4  -0.809  -5.249   1.576
   35    HD1  PHE   4          1HD       PHE   4  -0.951  -7.004  -0.329
   36    HD2  PHE   4          2HD       PHE   4  -3.239  -7.220   3.298
   37    HE1  PHE   4          1HE       PHE   4  -2.540  -8.549  -1.429
   38    HE2  PHE   4          2HE       PHE   4  -4.833  -8.766   2.193
   39   1HZ   PHE   4           HZ       PHE   4  -4.486  -9.430  -0.169
   40    QB   PHE   4           QB       PHE   4  -1.116  -5.495   2.365
   41    QG   PHE   4           QD       PHE   4  -2.095  -7.112   1.484
   42    QZ   PHE   4           QE       PHE   4  -3.687  -8.657   0.382
   43    QZ   PHE   4           QR       PHE   4  -3.210  -8.194   0.713
   44    H    LYS   5           H        LYS   5   2.345  -6.913   0.990
   45    HA   LYS   5           HA       LYS   5   3.839  -4.875   2.518
   46   1HB   LYS   5          2HB       LYS   5   4.495  -6.614   0.112
   47   2HB   LYS   5          1HB       LYS   5   5.661  -5.586   0.948
   48   1HG   LYS   5          2HG       LYS   5   6.051  -7.530   2.109
   49   2HG   LYS   5          1HG       LYS   5   4.699  -6.929   3.069
   50   1HD   LYS   5          2HD       LYS   5   3.230  -8.481   2.226
   51   2HD   LYS   5          1HD       LYS   5   4.020  -8.526   0.650
   52   1HE   LYS   5          2HE       LYS   5   5.594 -10.098   1.332
   53   2HE   LYS   5          1HE       LYS   5   5.507  -9.595   3.032
   54   1HZ   LYS   5          3HZ       LYS   5   3.275 -10.877   1.549
   55   2HZ   LYS   5          2HZ       LYS   5   4.329 -11.709   2.589
   56   3HZ   LYS   5          1HZ       LYS   5   3.309 -10.497   3.202
   57    QB   LYS   5           QB       LYS   5   5.078  -6.100   0.530
   58    QG   LYS   5           QG       LYS   5   5.375  -7.230   2.589
   59    QD   LYS   5           QD       LYS   5   3.625  -8.503   1.438
   60    QE   LYS   5           QE       LYS   5   5.550  -9.846   2.182
   61    QZ   LYS   5           QZ       LYS   5   3.638 -11.028   2.447
   62    H    LEU   6           H        LEU   6   5.105  -3.238   0.993
   63    HA   LEU   6           HA       LEU   6   3.484  -2.402  -1.361
   64   1HB   LEU   6          2HB       LEU   6   2.701  -1.464   0.976
   65   2HB   LEU   6          1HB       LEU   6   4.080  -0.389   0.785
   66    HG   LEU   6           HG       LEU   6   1.522  -0.499  -0.772
   67   1HD1  LEU   6          3HD1      LEU   6   2.576   1.217   1.071
   68   2HD1  LEU   6          2HD1      LEU   6   3.057   2.003  -0.431
   69   3HD1  LEU   6          1HD1      LEU   6   1.356   1.668  -0.116
   70   1HD2  LEU   6          2HD2      LEU   6   3.262  -0.823  -2.528
   71   2HD2  LEU   6          1HD2      LEU   6   2.522   0.772  -2.641
   72   3HD2  LEU   6          3HD2      LEU   6   4.122   0.591  -1.921
   73    QB   LEU   6           QB       LEU   6   3.390  -0.926   0.880
   74    QD1  LEU   6           QD1      LEU   6   2.330   1.629   0.175
   75    QD2  LEU   6           QD2      LEU   6   3.302   0.180  -2.363
   76    QQD  LEU   6           QQD      LEU   6   2.816   0.905  -1.094
   77    H    ILE   7           H        ILE   7   5.087  -2.157  -2.884
   78    HA   ILE   7           HA       ILE   7   7.798  -1.289  -2.159
   79    HB   ILE   7           HB       ILE   7   6.378  -1.835  -4.794
   80   1HG1  ILE   7          2HG1      ILE   7   6.588  -3.813  -3.329
   81   2HG1  ILE   7          1HG1      ILE   7   7.634  -3.963  -4.739
   82   1HG2  ILE   7          2HG2      ILE   7   8.340  -0.306  -5.024
   83   2HG2  ILE   7          1HG2      ILE   7   9.349  -1.530  -4.252
   84   3HG2  ILE   7          3HG2      ILE   7   8.597  -1.863  -5.814
   85   1HD1  ILE   7          3HD1      ILE   7   9.529  -3.069  -3.328
   86   2HD1  ILE   7          2HD1      ILE   7   8.458  -3.170  -1.930
   87   3HD1  ILE   7          1HD1      ILE   7   8.914  -4.636  -2.800
   88    QG1  ILE   7           QG1      ILE   7   7.111  -3.888  -4.034
   89    QG2  ILE   7           QG2      ILE   7   8.762  -1.233  -5.030
   90    QD1  ILE   7           QD1      ILE   7   8.967  -3.625  -2.686
   91    H    ILE   8           H        ILE   8   8.210   0.880  -1.895
   92    HA   ILE   8           HA       ILE   8   6.301   2.816  -3.058
   93    HB   ILE   8           HB       ILE   8   8.666   3.447  -1.294
   94   1HG1  ILE   8          2HG1      ILE   8   7.269   1.585  -0.272
   95   2HG1  ILE   8          1HG1      ILE   8   7.344   3.056   0.687
   96   1HG2  ILE   8          3HG2      ILE   8   6.194   4.793  -2.240
   97   2HG2  ILE   8          2HG2      ILE   8   6.640   5.088  -0.560
   98   3HG2  ILE   8          1HG2      ILE   8   7.778   5.472  -1.852
   99   1HD1  ILE   8          1HD1      ILE   8   5.084   2.454  -1.232
  100   2HD1  ILE   8          3HD1      ILE   8   5.039   2.012   0.475
  101   3HD1  ILE   8          2HD1      ILE   8   5.142   3.710   0.009
  102    QG1  ILE   8           QG1      ILE   8   7.307   2.321   0.207
  103    QG2  ILE   8           QG2      ILE   8   6.871   5.118  -1.551
  104    QD1  ILE   8           QD1      ILE   8   5.088   2.725  -0.249
  105    H    ASN   9           H        ASN   9   6.809   3.807  -4.971
  106    HA   ASN   9           HA       ASN   9   9.679   3.883  -5.826
  107   1HB   ASN   9          2HB       ASN   9   8.013   2.634  -7.206
  108   2HB   ASN   9          1HB       ASN   9   7.104   4.130  -7.416
  109   1HD2  ASN   9          2HD2      ASN   9   9.199   5.318  -9.987
  110   2HD2  ASN   9          1HD2      ASN   9   7.774   5.524  -9.088
  111    QB   ASN   9           QB       ASN   9   7.559   3.382  -7.311
  112    QD2  ASN   9           QD2      ASN   9   8.486   5.421  -9.537
  113    H    GLY  10           H        GLY  10   9.088   5.846  -4.006
  114   1HA   GLY  10          2HA       GLY  10   8.725   8.291  -5.700
  115   2HA   GLY  10          1HA       GLY  10   8.114   8.193  -4.048
  116    QA   GLY  10           QA       GLY  10   8.420   8.242  -4.874
  117    H    LYS  11           H        LYS  11   9.427   9.994  -3.387
  118    HA   LYS  11           HA       LYS  11  12.376   9.449  -3.331
  119   1HB   LYS  11          2HB       LYS  11  12.563  11.919  -3.165
  120   2HB   LYS  11          1HB       LYS  11  11.678  11.428  -4.607
  121   1HG   LYS  11          2HG       LYS  11   9.885  12.619  -3.952
  122   2HG   LYS  11          1HG       LYS  11   9.804  11.712  -2.445
  123   1HD   LYS  11          2HD       LYS  11  10.119  13.907  -1.688
  124   2HD   LYS  11          1HD       LYS  11  11.764  13.271  -1.691
  125   1HE   LYS  11          2HE       LYS  11  12.120  14.254  -3.955
  126   2HE   LYS  11          1HE       LYS  11  10.493  14.961  -3.874
  127   1HZ   LYS  11          3HZ       LYS  11  11.110  16.060  -1.811
  128   2HZ   LYS  11          2HZ       LYS  11  12.673  15.400  -1.901
  129   3HZ   LYS  11          1HZ       LYS  11  12.156  16.526  -3.062
  130    QB   LYS  11           QB       LYS  11  12.121  11.673  -3.886
  131    QG   LYS  11           QG       LYS  11   9.845  12.165  -3.199
  132    QD   LYS  11           QD       LYS  11  10.942  13.589  -1.690
  133    QE   LYS  11           QE       LYS  11  11.307  14.607  -3.915
  134    QZ   LYS  11           QZ       LYS  11  11.980  15.995  -2.258
  135    H    THR  12           H        THR  12   9.535  10.081  -1.380
  136    HA   THR  12           HA       THR  12  11.039  10.701   1.069
  137    HB   THR  12           HB       THR  12   8.140   9.884   0.791
  138    HG1  THR  12          1HG       THR  12   7.814  12.170   0.436
  139   1HG2  THR  12          3HG2      THR  12   9.673  11.714   2.654
  140   2HG2  THR  12          2HG2      THR  12   7.915  11.579   2.635
  141   3HG2  THR  12          1HG2      THR  12   8.902  10.183   3.066
  142    QG2  THR  12           QG2      THR  12   8.830  11.159   2.785
  143    H    LEU  13           H        LEU  13   9.567   7.910  -0.475
  144    HA   LEU  13           HA       LEU  13  10.462   6.177   1.807
  145   1HB   LEU  13          2HB       LEU  13   8.040   6.354   0.093
  146   2HB   LEU  13          1HB       LEU  13   8.595   4.724   0.474
  147    HG   LEU  13           HG       LEU  13   8.152   6.869   2.564
  148   1HD1  LEU  13          2HD1      LEU  13   6.301   4.795   1.383
  149   2HD1  LEU  13          1HD1      LEU  13   6.106   5.321   3.058
  150   3HD1  LEU  13          3HD1      LEU  13   5.978   6.492   1.747
  151   1HD2  LEU  13          1HD2      LEU  13   9.623   4.600   2.754
  152   2HD2  LEU  13          3HD2      LEU  13   8.708   5.262   4.110
  153   3HD2  LEU  13          2HD2      LEU  13   8.029   3.951   3.143
  154    QB   LEU  13           QB       LEU  13   8.317   5.539   0.283
  155    QD1  LEU  13           QD1      LEU  13   6.128   5.536   2.063
  156    QD2  LEU  13           QD2      LEU  13   8.786   4.604   3.335
  157    QQD  LEU  13           QQD      LEU  13   7.457   5.070   2.699
  158    H    LYS  14           H        LYS  14  10.934   3.853   0.933
  159    HA   LYS  14           HA       LYS  14  11.610   3.464  -1.823
  160   1HB   LYS  14          2HB       LYS  14  14.091   3.558  -1.543
  161   2HB   LYS  14          1HB       LYS  14  13.328   5.125  -1.279
  162   1HG   LYS  14          2HG       LYS  14  13.255   4.098   1.250
  163   2HG   LYS  14          1HG       LYS  14  14.736   3.363   0.640
  164   1HD   LYS  14          2HD       LYS  14  14.131   6.323   0.419
  165   2HD   LYS  14          1HD       LYS  14  15.069   5.616   1.736
  166   1HE   LYS  14          2HE       LYS  14  16.897   5.208   0.394
  167   2HE   LYS  14          1HE       LYS  14  15.899   4.886  -1.038
  168   1HZ   LYS  14          2HZ       LYS  14  16.242   7.553   0.229
  169   2HZ   LYS  14          1HZ       LYS  14  17.047   7.041  -1.178
  170   3HZ   LYS  14          3HZ       LYS  14  15.360   7.215  -1.183
  171    QB   LYS  14           QB       LYS  14  13.709   4.342  -1.411
  172    QG   LYS  14           QG       LYS  14  13.995   3.731   0.945
  173    QD   LYS  14           QD       LYS  14  14.600   5.970   1.077
  174    QE   LYS  14           QE       LYS  14  16.398   5.047  -0.322
  175    QZ   LYS  14           QZ       LYS  14  16.216   7.270  -0.711
  176    H    GLY  15           H        GLY  15  10.329   1.555  -0.936
  177   1HA   GLY  15          2HA       GLY  15  11.606  -0.823  -0.869
  178   2HA   GLY  15          1HA       GLY  15  11.872  -0.286   0.789
  179    QA   GLY  15           QA       GLY  15  11.739  -0.554  -0.040
  180    H    GLU  16           H        GLU  16  10.537  -2.510   0.774
  181    HA   GLU  16           HA       GLU  16   7.687  -2.398   0.344
  182   1HB   GLU  16          2HB       GLU  16   7.739  -4.518   1.588
  183   2HB   GLU  16          1HB       GLU  16   9.098  -4.447   0.472
  184   1HG   GLU  16          2HG       GLU  16  10.237  -3.321   2.659
  185   2HG   GLU  16          1HG       GLU  16   9.084  -4.405   3.436
  186    QB   GLU  16           QB       GLU  16   8.419  -4.482   1.030
  187    QG   GLU  16           QG       GLU  16   9.661  -3.863   3.048
  188    H    ILE  17           H        ILE  17   6.826  -3.404   2.924
  189    HA   ILE  17           HA       ILE  17   7.375  -1.557   5.067
  190    HB   ILE  17           HB       ILE  17   6.308   0.002   3.484
  191   1HG1  ILE  17          2HG1      ILE  17   4.403   0.741   4.939
  192   2HG1  ILE  17          1HG1      ILE  17   4.563  -0.765   5.843
  193   1HG2  ILE  17          2HG2      ILE  17   4.991  -1.708   2.254
  194   2HG2  ILE  17          1HG2      ILE  17   3.917  -1.855   3.644
  195   3HG2  ILE  17          3HG2      ILE  17   4.004  -0.336   2.752
  196   1HD1  ILE  17          2HD1      ILE  17   6.960   1.006   5.438
  197   2HD1  ILE  17          1HD1      ILE  17   5.800   1.369   6.715
  198   3HD1  ILE  17          3HD1      ILE  17   6.655  -0.174   6.714
  199    QG1  ILE  17           QG1      ILE  17   4.483  -0.012   5.391
  200    QG2  ILE  17           QG2      ILE  17   4.304  -1.300   2.883
  201    QD1  ILE  17           QD1      ILE  17   6.472   0.734   6.289
  202    H    THR  18           H        THR  18   5.107  -3.784   3.530
  203    HA   THR  18           HA       THR  18   3.789  -5.518   4.383
  204    HB   THR  18           HB       THR  18   4.634  -6.684   6.229
  205    HG1  THR  18          1HG       THR  18   5.093  -5.755   8.037
  206   1HG2  THR  18          1HG2      THR  18   6.458  -5.689   4.430
  207   2HG2  THR  18          3HG2      THR  18   7.189  -5.252   5.977
  208   3HG2  THR  18          2HG2      THR  18   6.802  -6.937   5.631
  209    QG2  THR  18           QG2      THR  18   6.816  -5.959   5.346
  210    H    ILE  19           H        ILE  19   1.760  -5.569   5.219
  211    HA   ILE  19           HA       ILE  19   1.007  -3.393   7.160
  212    HB   ILE  19           HB       ILE  19   0.371  -3.604   4.424
  213   1HG1  ILE  19          2HG1      ILE  19  -0.702  -1.939   6.698
  214   2HG1  ILE  19          1HG1      ILE  19   0.470  -1.481   5.462
  215   1HG2  ILE  19          2HG2      ILE  19  -1.355  -5.341   5.104
  216   2HG2  ILE  19          1HG2      ILE  19  -2.185  -4.054   5.976
  217   3HG2  ILE  19          3HG2      ILE  19  -1.988  -3.951   4.227
  218   1HD1  ILE  19          3HD1      ILE  19  -1.632  -2.034   3.856
  219   2HD1  ILE  19          2HD1      ILE  19  -2.514  -1.572   5.313
  220   3HD1  ILE  19          1HD1      ILE  19  -1.385  -0.435   4.568
  221    QG1  ILE  19           QG1      ILE  19  -0.116  -1.710   6.080
  222    QG2  ILE  19           QG2      ILE  19  -1.843  -4.449   5.102
  223    QD1  ILE  19           QD1      ILE  19  -1.844  -1.347   4.579
  224    H    GLU  20           H        GLU  20  -1.107  -3.829   8.214
  225    HA   GLU  20           HA       GLU  20  -1.608  -6.757   8.646
  226   1HB   GLU  20          2HB       GLU  20  -0.611  -5.242  10.520
  227   2HB   GLU  20          1HB       GLU  20  -2.206  -4.493  10.572
  228   1HG   GLU  20          2HG       GLU  20  -2.595  -6.151  12.109
  229   2HG   GLU  20          1HG       GLU  20  -2.943  -7.087  10.655
  230    QB   GLU  20           QB       GLU  20  -1.408  -4.868  10.546
  231    QG   GLU  20           QG       GLU  20  -2.769  -6.619  11.382
  232    H    ALA  21           H        ALA  21  -3.068  -6.441   6.707
  233    HA   ALA  21           HA       ALA  21  -5.575  -4.964   7.407
  234   1HB   ALA  21          1HB       ALA  21  -4.146  -3.999   5.590
  235   2HB   ALA  21          3HB       ALA  21  -4.301  -5.520   4.704
  236   3HB   ALA  21          2HB       ALA  21  -5.726  -4.519   4.996
  237    QB   ALA  21           QB       ALA  21  -4.724  -4.679   5.097
  238    H    VAL  22           H        VAL  22  -7.521  -5.990   6.869
  239    HA   VAL  22           HA       VAL  22  -7.677  -8.788   7.114
  240    HB   VAL  22           HB       VAL  22  -9.484  -7.179   7.603
  241   1HG1  VAL  22          3HG1      VAL  22  -8.876  -5.801   5.467
  242   2HG1  VAL  22          2HG1      VAL  22  -9.970  -6.909   4.637
  243   3HG1  VAL  22          1HG1      VAL  22 -10.572  -5.897   5.949
  244   1HG2  VAL  22          2HG2      VAL  22 -10.211  -9.164   5.423
  245   2HG2  VAL  22          1HG2      VAL  22 -10.135  -9.503   7.152
  246   3HG2  VAL  22          3HG2      VAL  22 -11.360  -8.401   6.523
  247    QG1  VAL  22           QG1      VAL  22  -9.806  -6.202   5.351
  248    QG2  VAL  22           QG2      VAL  22 -10.569  -9.023   6.366
  249    QQG  VAL  22           QQG      VAL  22 -10.187  -7.612   5.858
  250    H    ASP  23           H        ASP  23  -7.692  -6.753   4.213
  251    HA   ASP  23           HA       ASP  23  -6.938  -9.086   2.551
  252   1HB   ASP  23          2HB       ASP  23  -8.794  -8.561   0.970
  253   2HB   ASP  23          1HB       ASP  23  -9.403  -9.032   2.553
  254    QB   ASP  23           QB       ASP  23  -9.098  -8.797   1.761
  255    H    ALA  24           H        ALA  24  -6.641  -8.096   0.156
  256    HA   ALA  24           HA       ALA  24  -4.645  -6.047   0.377
  257   1HB   ALA  24          2HB       ALA  24  -5.341  -7.922  -1.456
  258   2HB   ALA  24          1HB       ALA  24  -6.016  -6.485  -2.225
  259   3HB   ALA  24          3HB       ALA  24  -4.299  -6.550  -1.831
  260    QB   ALA  24           QB       ALA  24  -5.219  -6.986  -1.837
  261    H    ALA  25           H        ALA  25  -8.105  -5.978  -0.275
  262    HA   ALA  25           HA       ALA  25  -8.415  -3.400  -1.380
  263   1HB   ALA  25          2HB       ALA  25 -10.071  -5.370  -0.853
  264   2HB   ALA  25          1HB       ALA  25 -10.299  -4.526   0.678
  265   3HB   ALA  25          3HB       ALA  25 -10.679  -3.715  -0.841
  266    QB   ALA  25           QB       ALA  25 -10.350  -4.537  -0.339
  267    H    GLU  26           H        GLU  26  -8.396  -4.393   2.058
  268    HA   GLU  26           HA       GLU  26  -8.645  -1.715   3.119
  269   1HB   GLU  26          2HB       GLU  26  -8.160  -4.476   4.044
  270   2HB   GLU  26          1HB       GLU  26  -7.400  -3.247   5.056
  271   1HG   GLU  26          2HG       GLU  26 -10.242  -2.841   4.196
  272   2HG   GLU  26          1HG       GLU  26  -9.906  -3.980   5.499
  273    QB   GLU  26           QB       GLU  26  -7.780  -3.861   4.550
  274    QG   GLU  26           QG       GLU  26 -10.074  -3.411   4.848
  275    H    ALA  27           H        ALA  27  -5.835  -3.902   2.673
  276    HA   ALA  27           HA       ALA  27  -3.776  -2.257   3.675
  277   1HB   ALA  27          1HB       ALA  27  -3.777  -4.044   1.217
  278   2HB   ALA  27          3HB       ALA  27  -2.332  -3.462   2.049
  279   3HB   ALA  27          2HB       ALA  27  -3.450  -4.555   2.876
  280    QB   ALA  27           QB       ALA  27  -3.187  -4.020   2.047
  281    H    GLU  28           H        GLU  28  -5.092  -2.274   0.332
  282    HA   GLU  28           HA       GLU  28  -3.450  -0.200  -0.726
  283   1HB   GLU  28          2HB       GLU  28  -5.168  -1.851  -1.812
  284   2HB   GLU  28          1HB       GLU  28  -6.347  -0.584  -1.473
  285   1HG   GLU  28          2HG       GLU  28  -4.664   1.014  -2.632
  286   2HG   GLU  28          1HG       GLU  28  -3.921  -0.453  -3.278
  287    QB   GLU  28           QB       GLU  28  -5.757  -1.218  -1.642
  288    QG   GLU  28           QG       GLU  28  -4.293   0.280  -2.955
  289    H    LYS  29           H        LYS  29  -6.487  -0.064   1.141
  290    HA   LYS  29           HA       LYS  29  -6.878   2.799   0.872
  291   1HB   LYS  29          2HB       LYS  29  -7.784   0.701   2.866
  292   2HB   LYS  29          1HB       LYS  29  -8.358   2.366   2.896
  293   1HG   LYS  29          2HG       LYS  29  -8.514   1.093   0.240
  294   2HG   LYS  29          1HG       LYS  29  -9.535   0.336   1.461
  295   1HD   LYS  29          2HD       LYS  29 -10.999   1.985   0.844
  296   2HD   LYS  29          1HD       LYS  29 -10.054   2.941   1.986
  297   1HE   LYS  29          2HE       LYS  29  -9.999   4.312   0.082
  298   2HE   LYS  29          1HE       LYS  29  -8.514   3.365  -0.142
  299   1HZ   LYS  29          3HZ       LYS  29 -11.161   2.495  -1.161
  300   2HZ   LYS  29          2HZ       LYS  29 -10.059   3.384  -2.101
  301   3HZ   LYS  29          1HZ       LYS  29  -9.641   1.839  -1.532
  302    QB   LYS  29           QB       LYS  29  -8.071   1.534   2.881
  303    QG   LYS  29           QG       LYS  29  -9.024   0.714   0.850
  304    QD   LYS  29           QD       LYS  29 -10.526   2.463   1.415
  305    QE   LYS  29           QE       LYS  29  -9.257   3.838  -0.030
  306    QZ   LYS  29           QZ       LYS  29 -10.287   2.572  -1.598
  307    H    ILE  30           H        ILE  30  -5.623   0.781   3.553
  308    HA   ILE  30           HA       ILE  30  -4.719   2.887   5.247
  309    HB   ILE  30           HB       ILE  30  -3.631   0.081   4.795
  310   1HG1  ILE  30          2HG1      ILE  30  -5.433   0.798   7.065
  311   2HG1  ILE  30          1HG1      ILE  30  -6.167   0.646   5.468
  312   1HG2  ILE  30          1HG2      ILE  30  -2.165   1.679   6.119
  313   2HG2  ILE  30          3HG2      ILE  30  -3.473   1.782   7.297
  314   3HG2  ILE  30          2HG2      ILE  30  -2.677   0.238   6.996
  315   1HD1  ILE  30          1HD1      ILE  30  -4.265  -1.509   6.180
  316   2HD1  ILE  30          3HD1      ILE  30  -5.740  -1.464   7.145
  317   3HD1  ILE  30          2HD1      ILE  30  -5.840  -1.610   5.391
  318    QG1  ILE  30           QG1      ILE  30  -5.800   0.722   6.267
  319    QG2  ILE  30           QG2      ILE  30  -2.771   1.233   6.804
  320    QD1  ILE  30           QD1      ILE  30  -5.282  -1.527   6.239
  321    H    PHE  31           H        PHE  31  -3.208   1.245   2.497
  322    HA   PHE  31           HA       PHE  31  -0.617   2.541   2.781
  323   1HB   PHE  31          2HB       PHE  31  -2.073   0.872   0.737
  324   2HB   PHE  31          1HB       PHE  31  -0.589   1.688   0.268
  325    HD1  PHE  31          1HD       PHE  31   1.015   1.504   2.776
  326    HD2  PHE  31          2HD       PHE  31  -1.509  -1.400   0.858
  327    HE1  PHE  31          1HE       PHE  31   2.336  -0.325   3.798
  328    HE2  PHE  31          2HE       PHE  31  -0.159  -3.228   1.869
  329   1HZ   PHE  31           HZ       PHE  31   1.758  -2.681   3.337
  330    QB   PHE  31           QB       PHE  31  -1.331   1.280   0.503
  331    QG   PHE  31           QD       PHE  31  -0.247   0.052   1.817
  332    QZ   PHE  31           QE       PHE  31   1.088  -1.776   2.834
  333    QZ   PHE  31           QR       PHE  31   0.688  -1.226   2.528
  334    H    LYS  32           H        LYS  32  -3.557   3.099   0.881
  335    HA   LYS  32           HA       LYS  32  -2.521   5.321  -0.626
  336   1HB   LYS  32          2HB       LYS  32  -5.215   4.123  -0.071
  337   2HB   LYS  32          1HB       LYS  32  -5.080   5.631  -0.975
  338   1HG   LYS  32          2HG       LYS  32  -3.700   4.599  -2.654
  339   2HG   LYS  32          1HG       LYS  32  -3.540   3.125  -1.700
  340   1HD   LYS  32          2HD       LYS  32  -5.197   2.761  -3.452
  341   2HD   LYS  32          1HD       LYS  32  -6.014   2.791  -1.889
  342   1HE   LYS  32          2HE       LYS  32  -6.595   5.191  -2.267
  343   2HE   LYS  32          1HE       LYS  32  -5.857   5.087  -3.877
  344   1HZ   LYS  32          3HZ       LYS  32  -8.030   3.326  -2.870
  345   2HZ   LYS  32          2HZ       LYS  32  -8.244   4.617  -3.954
  346   3HZ   LYS  32          1HZ       LYS  32  -7.331   3.260  -4.413
  347    QB   LYS  32           QB       LYS  32  -5.147   4.877  -0.523
  348    QG   LYS  32           QG       LYS  32  -3.620   3.862  -2.177
  349    QD   LYS  32           QD       LYS  32  -5.606   2.776  -2.671
  350    QE   LYS  32           QE       LYS  32  -6.226   5.139  -3.072
  351    QZ   LYS  32           QZ       LYS  32  -7.868   3.734  -3.746
  352    H    GLN  33           H        GLN  33  -3.232   5.120   2.662
  353    HA   GLN  33           HA       GLN  33  -4.027   8.031   2.802
  354   1HB   GLN  33          2HB       GLN  33  -4.295   5.665   4.700
  355   2HB   GLN  33          1HB       GLN  33  -4.653   7.325   5.176
  356   1HG   GLN  33          2HG       GLN  33  -6.373   7.493   3.455
  357   2HG   GLN  33          1HG       GLN  33  -5.971   5.882   2.858
  358   1HE2  GLN  33          2HE2      GLN  33  -8.374   6.284   6.106
  359   2HE2  GLN  33          1HE2      GLN  33  -7.728   7.642   5.319
  360    QB   GLN  33           QB       GLN  33  -4.474   6.495   4.938
  361    QG   GLN  33           QG       GLN  33  -6.172   6.688   3.157
  362    QE2  GLN  33           QE2      GLN  33  -8.051   6.963   5.712
  363    H    TYR  34           H        TYR  34  -2.057   5.450   4.081
  364    HA   TYR  34           HA       TYR  34  -0.176   6.739   5.727
  365   1HB   TYR  34          2HB       TYR  34  -0.325   4.376   5.558
  366   2HB   TYR  34          1HB       TYR  34  -0.313   4.422   3.793
  367    HD1  TYR  34          1HD       TYR  34   1.740   4.579   6.872
  368    HD2  TYR  34          2HD       TYR  34   1.824   4.604   2.578
  369    HE1  TYR  34          1HE       TYR  34   4.188   4.187   6.918
  370    HE2  TYR  34          2HE       TYR  34   4.273   4.212   2.624
  371    HH   TYR  34           HH       TYR  34   5.944   3.356   5.523
  372    QB   TYR  34           QB       TYR  34  -0.319   4.399   4.676
  373    QG   TYR  34           QD       TYR  34   1.782   4.591   4.725
  374    QZ   TYR  34           QE       TYR  34   4.230   4.200   4.771
  375    QR   TYR  34           QR       TYR  34   3.006   4.396   4.748
  376    H    ALA  35           H        ALA  35  -0.438   6.523   2.214
  377    HA   ALA  35           HA       ALA  35   2.100   7.542   1.373
  378   1HB   ALA  35          1HB       ALA  35  -0.641   7.144   0.328
  379   2HB   ALA  35          3HB       ALA  35   0.248   8.453  -0.462
  380   3HB   ALA  35          2HB       ALA  35   0.912   6.812  -0.443
  381    QB   ALA  35           QB       ALA  35   0.173   7.469  -0.192
  382    H    ASN  36           H        ASN  36  -1.034   9.246   1.659
  383    HA   ASN  36           HA       ASN  36  -0.106  11.904   1.298
  384   1HB   ASN  36          2HB       ASN  36  -2.448  10.578   2.638
  385   2HB   ASN  36          1HB       ASN  36  -2.268  12.332   2.711
  386   1HD2  ASN  36          2HD2      ASN  36  -3.103  10.560  -0.898
  387   2HD2  ASN  36          1HD2      ASN  36  -2.510   9.614   0.380
  388    QB   ASN  36           QB       ASN  36  -2.358  11.455   2.675
  389    QD2  ASN  36           QD2      ASN  36  -2.807  10.087  -0.259
  390    H    ASP  37           H        ASP  37  -0.601  10.047   4.305
  391    HA   ASP  37           HA       ASP  37  -0.058  11.978   6.246
  392   1HB   ASP  37          2HB       ASP  37  -0.590   9.386   6.286
  393   2HB   ASP  37          1HB       ASP  37   1.159   9.252   6.472
  394    QB   ASP  37           QB       ASP  37   0.284   9.319   6.379
  395    H    ASN  38           H        ASN  38   2.192  10.463   4.072
  396    HA   ASN  38           HA       ASN  38   4.486  11.729   5.440
  397   1HB   ASN  38          2HB       ASN  38   4.098   9.206   4.483
  398   2HB   ASN  38          1HB       ASN  38   4.891   9.966   3.103
  399   1HD2  ASN  38          2HD2      ASN  38   7.948   9.222   4.731
  400   2HD2  ASN  38          1HD2      ASN  38   6.955   8.925   3.386
  401    QB   ASN  38           QB       ASN  38   4.494   9.586   3.793
  402    QD2  ASN  38           QD2      ASN  38   7.452   9.073   4.058
  403    H    GLY  39           H        GLY  39   3.139  11.287   2.169
  404   1HA   GLY  39          2HA       GLY  39   2.886  13.606   0.989
  405   2HA   GLY  39          1HA       GLY  39   4.635  13.690   1.237
  406    QA   GLY  39           QA       GLY  39   3.761  13.648   1.113
  407    H    ILE  40           H        ILE  40   2.240  11.308   0.078
  408    HA   ILE  40           HA       ILE  40   4.182  10.492  -2.064
  409    HB   ILE  40           HB       ILE  40   2.059   9.129  -0.440
  410   1HG1  ILE  40          2HG1      ILE  40   4.673   9.805   0.234
  411   2HG1  ILE  40          1HG1      ILE  40   3.666   8.640   1.068
  412   1HG2  ILE  40          3HG2      ILE  40   2.164   8.161  -2.703
  413   2HG2  ILE  40          2HG2      ILE  40   3.890   7.866  -2.479
  414   3HG2  ILE  40          1HG2      ILE  40   2.711   7.027  -1.466
  415   1HD1  ILE  40          1HD1      ILE  40   5.332   7.858  -1.312
  416   2HD1  ILE  40          3HD1      ILE  40   6.003   7.883   0.322
  417   3HD1  ILE  40          2HD1      ILE  40   4.643   6.821  -0.055
  418    QG1  ILE  40           QG1      ILE  40   4.170   9.222   0.651
  419    QG2  ILE  40           QG2      ILE  40   2.922   7.685  -2.216
  420    QD1  ILE  40           QD1      ILE  40   5.326   7.520  -0.348
  421    H    ASP  41           H        ASP  41   3.360  10.581  -4.190
  422    HA   ASP  41           HA       ASP  41   0.517  10.398  -4.788
  423   1HB   ASP  41          2HB       ASP  41   0.294  12.769  -5.554
  424   2HB   ASP  41          1HB       ASP  41   0.577  12.640  -3.820
  425    QB   ASP  41           QB       ASP  41   0.436  12.705  -4.687
  426    H    GLY  42           H        GLY  42   0.996   9.007  -6.483
  427   1HA   GLY  42          2HA       GLY  42   1.973  10.188  -8.958
  428   2HA   GLY  42          1HA       GLY  42   3.078   8.981  -8.299
  429    QA   GLY  42           QA       GLY  42   2.525   9.585  -8.629
  430    H    GLU  43           H        GLU  43   2.609   6.836  -8.638
  431    HA   GLU  43           HA       GLU  43  -0.013   6.206  -9.967
  432   1HB   GLU  43          2HB       GLU  43   2.509   5.981 -10.946
  433   2HB   GLU  43          1HB       GLU  43   2.326   4.389 -10.206
  434   1HG   GLU  43          2HG       GLU  43   0.353   3.924 -11.501
  435   2HG   GLU  43          1HG       GLU  43   0.274   5.587 -12.084
  436    QB   GLU  43           QB       GLU  43   2.418   5.185 -10.576
  437    QG   GLU  43           QG       GLU  43   0.313   4.756 -11.792
  438    H    TRP  44           H        TRP  44  -0.547   3.749  -9.662
  439    HA   TRP  44           HA       TRP  44   0.275   2.594  -7.037
  440   1HB   TRP  44          2HB       TRP  44  -2.398   3.800  -7.726
  441   2HB   TRP  44          1HB       TRP  44  -2.343   2.388  -6.665
  442    HD1  TRP  44           HD       TRP  44  -1.295   6.056  -6.829
  443    HE1  TRP  44          1HE       TRP  44  -0.673   6.825  -4.448
  444    HE3  TRP  44          3HE       TRP  44  -1.517   1.580  -4.401
  445    HZ2  TRP  44          2HZ       TRP  44  -0.313   5.685  -1.851
  446    HZ3  TRP  44          3HZ       TRP  44  -1.027   1.451  -1.964
  447    HH2  TRP  44           HH       TRP  44  -0.420   3.500  -0.698
  448    QB   TRP  44           QB       TRP  44  -2.370   3.094  -7.196
  449    H    THR  45           H        THR  45   0.429   0.415  -7.340
  450    HA   THR  45           HA       THR  45  -1.442  -0.919  -9.244
  451    HB   THR  45           HB       THR  45   0.326  -1.940 -10.464
  452    HG1  THR  45          1HG       THR  45   2.264  -2.234  -9.666
  453   1HG2  THR  45          1HG2      THR  45   0.020   0.454 -11.017
  454   2HG2  THR  45          3HG2      THR  45   1.271   0.867  -9.844
  455   3HG2  THR  45          2HG2      THR  45   1.684  -0.072 -11.283
  456    QG2  THR  45           QG2      THR  45   0.991   0.416 -10.715
  457    H    TYR  46           H        TYR  46  -2.168  -2.799  -8.392
  458    HA   TYR  46           HA       TYR  46  -0.945  -3.752  -5.853
  459   1HB   TYR  46          2HB       TYR  46  -3.314  -3.321  -5.789
  460   2HB   TYR  46          1HB       TYR  46  -3.583  -4.243  -7.271
  461    HD1  TYR  46          1HD       TYR  46  -1.805  -4.820  -4.011
  462    HD2  TYR  46          2HD       TYR  46  -4.581  -6.322  -6.923
  463    HE1  TYR  46          1HE       TYR  46  -2.055  -6.902  -2.694
  464    HE2  TYR  46          2HE       TYR  46  -4.835  -8.406  -5.604
  465    HH   TYR  46           HH       TYR  46  -3.495  -9.694  -3.931
  466    QB   TYR  46           QB       TYR  46  -3.448  -3.782  -6.530
  467    QG   TYR  46           QD       TYR  46  -3.193  -5.571  -5.467
  468    QZ   TYR  46           QE       TYR  46  -3.445  -7.654  -4.149
  469    QR   TYR  46           QR       TYR  46  -3.319  -6.612  -4.808
  470    H    ASP  47           H        ASP  47   0.306  -5.577  -5.860
  471    HA   ASP  47           HA       ASP  47   0.479  -7.200  -8.348
  472   1HB   ASP  47          2HB       ASP  47   2.407  -6.127  -6.902
  473   2HB   ASP  47          1HB       ASP  47   2.164  -7.543  -5.879
  474    QB   ASP  47           QB       ASP  47   2.286  -6.835  -6.390
  475    H    ASP  48           H        ASP  48  -1.311  -8.595  -8.234
  476    HA   ASP  48           HA       ASP  48  -2.202  -9.906  -5.819
  477   1HB   ASP  48          2HB       ASP  48  -3.571 -11.213  -7.450
  478   2HB   ASP  48          1HB       ASP  48  -3.659  -9.476  -7.724
  479    QB   ASP  48           QB       ASP  48  -3.615 -10.344  -7.587
  480    H    ALA  49           H        ALA  49   0.583 -10.482  -7.633
  481    HA   ALA  49           HA       ALA  49   0.590 -13.416  -7.262
  482   1HB   ALA  49          3HB       ALA  49   1.507 -11.777  -9.217
  483   2HB   ALA  49          2HB       ALA  49   2.964 -11.905  -8.231
  484   3HB   ALA  49          1HB       ALA  49   2.216 -13.358  -8.891
  485    QB   ALA  49           QB       ALA  49   2.229 -12.347  -8.780
  486    H    THR  50           H        THR  50   1.906 -10.476  -5.856
  487    HA   THR  50           HA       THR  50   3.349 -12.147  -3.825
  488    HB   THR  50           HB       THR  50   5.029 -10.312  -3.803
  489    HG1  THR  50          1HG       THR  50   4.725  -8.559  -4.953
  490   1HG2  THR  50          2HG2      THR  50   4.853 -12.325  -5.575
  491   2HG2  THR  50          1HG2      THR  50   4.790 -10.964  -6.694
  492   3HG2  THR  50          3HG2      THR  50   6.168 -11.151  -5.608
  493    QG2  THR  50           QG2      THR  50   5.270 -11.480  -5.959
  494    H    LYS  51           H        LYS  51   0.680 -10.282  -4.239
  495    HA   LYS  51           HA       LYS  51  -0.648  -8.962  -2.807
  496   1HB   LYS  51          2HB       LYS  51   1.165 -10.307  -0.771
  497   2HB   LYS  51          1HB       LYS  51  -0.382  -9.543  -0.410
  498   1HG   LYS  51          2HG       LYS  51  -0.266 -11.675  -2.522
  499   2HG   LYS  51          1HG       LYS  51  -0.265 -12.146  -0.822
  500   1HD   LYS  51          2HD       LYS  51  -2.313 -10.720  -0.499
  501   2HD   LYS  51          1HD       LYS  51  -2.355 -10.476  -2.246
  502   1HE   LYS  51          2HE       LYS  51  -2.829 -12.752  -2.676
  503   2HE   LYS  51          1HE       LYS  51  -2.271 -13.260  -1.069
  504   1HZ   LYS  51          1HZ       LYS  51  -4.067 -11.946  -0.088
  505   2HZ   LYS  51          3HZ       LYS  51  -4.626 -11.535  -1.636
  506   3HZ   LYS  51          2HZ       LYS  51  -4.680 -13.152  -1.116
  507    QB   LYS  51           QB       LYS  51   0.391  -9.925  -0.591
  508    QG   LYS  51           QG       LYS  51  -0.266 -11.910  -1.672
  509    QD   LYS  51           QD       LYS  51  -2.334 -10.598  -1.372
  510    QE   LYS  51           QE       LYS  51  -2.550 -13.006  -1.873
  511    QZ   LYS  51           QZ       LYS  51  -4.458 -12.211  -0.947
  512    H    THR  52           H        THR  52   1.621  -7.664  -3.975
  513    HA   THR  52           HA       THR  52   2.327  -5.714  -1.794
  514    HB   THR  52           HB       THR  52   4.064  -6.409  -4.167
  515    HG1  THR  52          1HG       THR  52   4.923  -8.040  -3.033
  516   1HG2  THR  52          3HG2      THR  52   4.564  -5.236  -1.420
  517   2HG2  THR  52          2HG2      THR  52   5.840  -5.662  -2.561
  518   3HG2  THR  52          1HG2      THR  52   4.680  -4.396  -2.968
  519    QG2  THR  52           QG2      THR  52   5.028  -5.098  -2.316
  520    H    PHE  53           H        PHE  53   1.732  -3.627  -2.281
  521    HA   PHE  53           HA       PHE  53   0.595  -3.023  -4.924
  522   1HB   PHE  53          2HB       PHE  53   0.914  -1.513  -2.322
  523   2HB   PHE  53          1HB       PHE  53   0.119  -0.822  -3.735
  524    HD1  PHE  53          2HD       PHE  53  -0.009  -3.634  -1.287
  525    HD2  PHE  53          1HD       PHE  53  -2.134  -1.409  -4.301
  526    HE1  PHE  53          2HE       PHE  53  -2.123  -4.797  -0.666
  527    HE2  PHE  53          1HE       PHE  53  -4.225  -2.582  -3.681
  528   1HZ   PHE  53           HZ       PHE  53  -4.220  -4.272  -1.871
  529    QB   PHE  53           QB       PHE  53   0.517  -1.167  -3.028
  530    QG   PHE  53           QD       PHE  53  -1.072  -2.522  -2.794
  531    QZ   PHE  53           QE       PHE  53  -3.174  -3.689  -2.174
  532    QZ   PHE  53           QR       PHE  53  -2.542  -3.339  -2.361
  533    H    THR  54           H        THR  54   1.318  -0.396  -5.460
  534    HA   THR  54           HA       THR  54   4.246  -0.099  -5.231
  535    HB   THR  54           HB       THR  54   3.071  -0.135  -7.999
  536    HG1  THR  54          1HG       THR  54   2.498  -2.136  -7.497
  537   1HG2  THR  54          2HG2      THR  54   5.443   0.615  -7.328
  538   2HG2  THR  54          1HG2      THR  54   5.767  -1.097  -7.058
  539   3HG2  THR  54          3HG2      THR  54   5.302  -0.529  -8.662
  540    QG2  THR  54           QG2      THR  54   5.504  -0.337  -7.683
  541    H    VAL  55           H        VAL  55   3.768   1.894  -4.260
  542    HA   VAL  55           HA       VAL  55   2.057   3.780  -5.774
  543    HB   VAL  55           HB       VAL  55   1.455   3.521  -3.479
  544   1HG1  VAL  55          1HG1      VAL  55   4.392   3.943  -2.904
  545   2HG1  VAL  55          3HG1      VAL  55   3.149   4.112  -1.664
  546   3HG1  VAL  55          2HG1      VAL  55   3.374   2.565  -2.478
  547   1HG2  VAL  55          2HG2      VAL  55   1.443   5.852  -4.355
  548   2HG2  VAL  55          1HG2      VAL  55   1.688   5.786  -2.610
  549   3HG2  VAL  55          3HG2      VAL  55   3.056   6.086  -3.682
  550    QG1  VAL  55           QG1      VAL  55   3.639   3.540  -2.349
  551    QG2  VAL  55           QG2      VAL  55   2.062   5.908  -3.549
  552    QQG  VAL  55           QQG      VAL  55   2.850   4.724  -2.949
  553    H    THR  56           H        THR  56   3.144   4.841  -7.304
  554    HA   THR  56           HA       THR  56   5.951   5.683  -6.927
  555    HB   THR  56           HB       THR  56   3.912   5.436  -9.117
  556    HG1  THR  56          1HG       THR  56   5.258   3.804  -9.135
  557   1HG2  THR  56          3HG2      THR  56   6.259   7.343  -9.211
  558   2HG2  THR  56          2HG2      THR  56   5.557   6.640 -10.668
  559   3HG2  THR  56          1HG2      THR  56   4.573   7.667  -9.624
  560    QG2  THR  56           QG2      THR  56   5.463   7.216  -9.834
  561    H    GLU  57           H        GLU  57   6.465   8.039  -7.349
  562    HA   GLU  57           HA       GLU  57   4.241   9.861  -6.491
  563   1HB   GLU  57          2HB       GLU  57   5.819   9.246  -4.655
  564   2HB   GLU  57          1HB       GLU  57   7.150   9.893  -5.616
  565   1HG   GLU  57          2HG       GLU  57   4.801  11.677  -5.196
  566   2HG   GLU  57          1HG       GLU  57   5.842  11.385  -3.802
  567    QB   GLU  57           QB       GLU  57   6.485   9.570  -5.135
  568    QG   GLU  57           QG       GLU  57   5.321  11.531  -4.499
   
  No H/Q in entry =         568
  Start of MODEL   47
    1   1H    MET   1          3HT       MET   1  -0.812 -15.516   6.593
    2   2H    MET   1          2HT       MET   1  -1.329 -16.047   8.122
    3   3H    MET   1          1HT       MET   1  -2.405 -16.057   6.807
    4    HA   MET   1           HA       MET   1  -2.991 -14.176   8.102
    5   1HB   MET   1          2HB       MET   1  -1.183 -12.587   8.778
    6   2HB   MET   1          1HB       MET   1  -0.933 -14.205   9.432
    7   1HG   MET   1          2HG       MET   1   0.287 -13.634   6.772
    8   2HG   MET   1          1HG       MET   1   1.017 -12.842   8.168
    9   1HE   MET   1          1HE       MET   1   2.705 -13.654   9.359
   10   2HE   MET   1          3HE       MET   1   3.459 -15.248   9.208
   11   3HE   MET   1          2HE       MET   1   3.352 -14.184   7.808
   12    QB   MET   1           QB       MET   1  -1.058 -13.396   9.105
   13    QG   MET   1           QG       MET   1   0.652 -13.238   7.470
   14    QE   MET   1           QE       MET   1   3.172 -14.362   8.792
   15    H    THR   2           H        THR   2  -2.683 -11.702   7.352
   16    HA   THR   2           HA       THR   2  -2.411 -11.723   4.361
   17    HB   THR   2           HB       THR   2  -4.253 -10.125   6.168
   18    HG1  THR   2          1HG       THR   2  -4.774 -12.280   4.400
   19   1HG2  THR   2          2HG2      THR   2  -3.678 -10.119   3.238
   20   2HG2  THR   2          1HG2      THR   2  -5.349  -9.888   3.749
   21   3HG2  THR   2          3HG2      THR   2  -4.097  -8.775   4.300
   22    QG2  THR   2           QG2      THR   2  -4.375  -9.594   3.762
   23    H    THR   3           H        THR   3  -0.053 -11.154   5.223
   24    HA   THR   3           HA       THR   3   0.285  -8.383   6.155
   25    HB   THR   3           HB       THR   3   2.287 -10.445   5.177
   26    HG1  THR   3          1HG       THR   3   1.660 -11.432   6.910
   27   1HG2  THR   3          2HG2      THR   3   2.657  -7.755   5.772
   28   2HG2  THR   3          1HG2      THR   3   3.082  -8.569   7.277
   29   3HG2  THR   3          3HG2      THR   3   3.911  -8.995   5.781
   30    QG2  THR   3           QG2      THR   3   3.217  -8.439   6.277
   31    H    PHE   4           H        PHE   4  -0.661  -7.198   4.358
   32    HA   PHE   4           HA       PHE   4   0.326  -7.544   1.631
   33   1HB   PHE   4          2HB       PHE   4  -1.523  -5.758   3.156
   34   2HB   PHE   4          1HB       PHE   4  -0.923  -5.166   1.606
   35    HD1  PHE   4          1HD       PHE   4  -1.020  -6.875  -0.383
   36    HD2  PHE   4          2HD       PHE   4  -3.390  -7.180   3.182
   37    HE1  PHE   4          1HE       PHE   4  -2.620  -8.339  -1.575
   38    HE2  PHE   4          2HE       PHE   4  -4.998  -8.639   1.982
   39   1HZ   PHE   4           HZ       PHE   4  -4.613  -9.221  -0.393
   40    QB   PHE   4           QB       PHE   4  -1.223  -5.462   2.381
   41    QG   PHE   4           QD       PHE   4  -2.205  -7.027   1.399
   42    QZ   PHE   4           QE       PHE   4  -3.809  -8.489   0.204
   43    QZ   PHE   4           QR       PHE   4  -3.328  -8.051   0.562
   44    H    LYS   5           H        LYS   5   2.001  -6.416   0.655
   45    HA   LYS   5           HA       LYS   5   3.634  -4.634   2.408
   46   1HB   LYS   5          2HB       LYS   5   4.212  -6.081  -0.200
   47   2HB   LYS   5          1HB       LYS   5   5.396  -5.166   0.734
   48   1HG   LYS   5          2HG       LYS   5   5.075  -6.671   2.650
   49   2HG   LYS   5          1HG       LYS   5   3.861  -7.576   1.748
   50   1HD   LYS   5          2HD       LYS   5   5.684  -7.928  -0.030
   51   2HD   LYS   5          1HD       LYS   5   6.823  -7.370   1.197
   52   1HE   LYS   5          2HE       LYS   5   6.675  -9.317   2.382
   53   2HE   LYS   5          1HE       LYS   5   4.920  -9.433   2.143
   54   1HZ   LYS   5          1HZ       LYS   5   6.912  -9.880  -0.012
   55   2HZ   LYS   5          3HZ       LYS   5   6.224 -11.135   0.898
   56   3HZ   LYS   5          2HZ       LYS   5   5.238 -10.162  -0.086
   57    QB   LYS   5           QB       LYS   5   4.804  -5.623   0.267
   58    QG   LYS   5           QG       LYS   5   4.468  -7.123   2.199
   59    QD   LYS   5           QD       LYS   5   6.254  -7.649   0.584
   60    QE   LYS   5           QE       LYS   5   5.797  -9.375   2.262
   61    QZ   LYS   5           QZ       LYS   5   6.125 -10.392   0.267
   62    H    LEU   6           H        LEU   6   4.979  -3.085   0.690
   63    HA   LEU   6           HA       LEU   6   3.305  -1.884  -1.389
   64   1HB   LEU   6          2HB       LEU   6   2.198  -1.090   0.652
   65   2HB   LEU   6          1HB       LEU   6   3.736  -0.508   1.287
   66    HG   LEU   6           HG       LEU   6   3.752   0.833  -1.034
   67   1HD1  LEU   6          3HD1      LEU   6   0.948  -0.054  -0.603
   68   2HD1  LEU   6          2HD1      LEU   6   1.187   1.623  -1.090
   69   3HD1  LEU   6          1HD1      LEU   6   1.793   0.317  -2.106
   70   1HD2  LEU   6          2HD2      LEU   6   3.403   1.480   1.607
   71   2HD2  LEU   6          1HD2      LEU   6   3.453   2.659   0.296
   72   3HD2  LEU   6          3HD2      LEU   6   1.902   2.083   0.905
   73    QB   LEU   6           QB       LEU   6   2.967  -0.799   0.970
   74    QD1  LEU   6           QD1      LEU   6   1.309   0.629  -1.266
   75    QD2  LEU   6           QD2      LEU   6   2.919   2.074   0.936
   76    QQD  LEU   6           QQD      LEU   6   2.114   1.351  -0.165
   77    H    ILE   7           H        ILE   7   5.011  -1.687  -2.817
   78    HA   ILE   7           HA       ILE   7   7.659  -0.742  -1.895
   79    HB   ILE   7           HB       ILE   7   6.543  -1.593  -4.593
   80   1HG1  ILE   7          2HG1      ILE   7   8.347  -3.093  -2.669
   81   2HG1  ILE   7          1HG1      ILE   7   6.604  -3.342  -2.778
   82   1HG2  ILE   7          3HG2      ILE   7   9.308  -0.836  -3.658
   83   2HG2  ILE   7          2HG2      ILE   7   9.082  -1.933  -5.020
   84   3HG2  ILE   7          1HG2      ILE   7   8.445  -0.290  -5.095
   85   1HD1  ILE   7          3HD1      ILE   7   8.514  -3.643  -5.112
   86   2HD1  ILE   7          2HD1      ILE   7   7.919  -4.987  -4.137
   87   3HD1  ILE   7          1HD1      ILE   7   6.794  -4.031  -5.101
   88    QG1  ILE   7           QG1      ILE   7   7.476  -3.218  -2.723
   89    QG2  ILE   7           QG2      ILE   7   8.945  -1.020  -4.591
   90    QD1  ILE   7           QD1      ILE   7   7.742  -4.220  -4.783
   91    H    ILE   8           H        ILE   8   7.905   1.475  -1.734
   92    HA   ILE   8           HA       ILE   8   6.225   3.191  -3.472
   93    HB   ILE   8           HB       ILE   8   7.989   3.792  -1.069
   94   1HG1  ILE   8          2HG1      ILE   8   5.718   4.410  -0.085
   95   2HG1  ILE   8          1HG1      ILE   8   4.992   3.644  -1.494
   96   1HG2  ILE   8          2HG2      ILE   8   6.177   5.604  -2.700
   97   2HG2  ILE   8          1HG2      ILE   8   6.945   6.054  -1.174
   98   3HG2  ILE   8          3HG2      ILE   8   7.938   5.717  -2.593
   99   1HD1  ILE   8          1HD1      ILE   8   7.024   2.134   0.090
  100   2HD1  ILE   8          3HD1      ILE   8   5.372   2.252   0.699
  101   3HD1  ILE   8          2HD1      ILE   8   5.680   1.536  -0.884
  102    QG1  ILE   8           QG1      ILE   8   5.355   4.027  -0.790
  103    QG2  ILE   8           QG2      ILE   8   7.020   5.792  -2.155
  104    QD1  ILE   8           QD1      ILE   8   6.025   1.974  -0.032
  105    H    ASN   9           H        ASN   9   7.144   3.926  -5.366
  106    HA   ASN   9           HA       ASN   9  10.133   4.064  -5.546
  107   1HB   ASN   9          2HB       ASN   9   9.088   2.511  -7.089
  108   2HB   ASN   9          1HB       ASN   9   7.919   3.723  -7.591
  109   1HD2  ASN   9          2HD2      ASN   9  10.052   5.067 -10.056
  110   2HD2  ASN   9          1HD2      ASN   9   8.487   4.992  -9.397
  111    QB   ASN   9           QB       ASN   9   8.503   3.117  -7.340
  112    QD2  ASN   9           QD2      ASN   9   9.270   5.029  -9.727
  113    H    GLY  10           H        GLY  10  10.497   6.192  -4.805
  114   1HA   GLY  10          2HA       GLY  10  10.050   8.349  -6.649
  115   2HA   GLY  10          1HA       GLY  10   8.927   8.482  -5.294
  116    QA   GLY  10           QA       GLY  10   9.488   8.416  -5.972
  117    H    LYS  11           H        LYS  11   9.775  10.126  -4.066
  118    HA   LYS  11           HA       LYS  11  12.672   9.931  -3.308
  119   1HB   LYS  11          2HB       LYS  11  12.532  12.394  -3.045
  120   2HB   LYS  11          1HB       LYS  11  12.080  11.896  -4.672
  121   1HG   LYS  11          2HG       LYS  11   9.709  12.091  -4.116
  122   2HG   LYS  11          1HG       LYS  11  10.106  12.469  -2.441
  123   1HD   LYS  11          2HD       LYS  11  11.416  14.182  -4.473
  124   2HD   LYS  11          1HD       LYS  11   9.667  14.363  -4.343
  125   1HE   LYS  11          2HE       LYS  11  10.092  15.745  -2.585
  126   2HE   LYS  11          1HE       LYS  11  10.523  14.282  -1.678
  127   1HZ   LYS  11          2HZ       LYS  11  12.401  15.723  -3.472
  128   2HZ   LYS  11          1HZ       LYS  11  12.330  15.979  -1.794
  129   3HZ   LYS  11          3HZ       LYS  11  12.769  14.457  -2.401
  130    QB   LYS  11           QB       LYS  11  12.306  12.145  -3.859
  131    QG   LYS  11           QG       LYS  11   9.907  12.280  -3.279
  132    QD   LYS  11           QD       LYS  11  10.541  14.272  -4.408
  133    QE   LYS  11           QE       LYS  11  10.308  15.014  -2.132
  134    QZ   LYS  11           QZ       LYS  11  12.500  15.386  -2.556
  135    H    THR  12           H        THR  12   9.371  10.458  -2.150
  136    HA   THR  12           HA       THR  12  10.231  10.755   0.658
  137    HB   THR  12           HB       THR  12   7.620  10.697   0.864
  138    HG1  THR  12          1HG       THR  12   6.702  11.302  -1.202
  139   1HG2  THR  12          3HG2      THR  12   9.346  12.703   0.683
  140   2HG2  THR  12          2HG2      THR  12   8.560  12.940  -0.878
  141   3HG2  THR  12          1HG2      THR  12   7.608  12.996   0.607
  142    QG2  THR  12           QG2      THR  12   8.505  12.880   0.137
  143    H    LEU  13           H        LEU  13  10.966   8.878   1.549
  144    HA   LEU  13           HA       LEU  13  10.967   6.678   2.340
  145   1HB   LEU  13          2HB       LEU  13   8.978   6.310   3.380
  146   2HB   LEU  13          1HB       LEU  13   8.402   7.761   2.574
  147    HG   LEU  13           HG       LEU  13   7.787   6.195   0.620
  148   1HD1  LEU  13          2HD1      LEU  13   9.106   4.311   2.082
  149   2HD1  LEU  13          1HD1      LEU  13   7.454   4.031   2.624
  150   3HD1  LEU  13          3HD1      LEU  13   7.848   3.919   0.909
  151   1HD2  LEU  13          3HD2      LEU  13   6.296   7.278   2.482
  152   2HD2  LEU  13          2HD2      LEU  13   5.616   5.984   1.494
  153   3HD2  LEU  13          1HD2      LEU  13   6.205   5.636   3.119
  154    QB   LEU  13           QB       LEU  13   8.690   7.035   2.977
  155    QD1  LEU  13           QD1      LEU  13   8.136   4.087   1.872
  156    QD2  LEU  13           QD2      LEU  13   6.039   6.299   2.365
  157    QQD  LEU  13           QQD      LEU  13   7.087   5.193   2.118
  158    H    LYS  14           H        LYS  14  11.155   4.525   1.489
  159    HA   LYS  14           HA       LYS  14  10.119   3.870  -1.141
  160   1HB   LYS  14          2HB       LYS  14  12.377   3.743  -2.184
  161   2HB   LYS  14          1HB       LYS  14  11.975   5.384  -1.684
  162   1HG   LYS  14          2HG       LYS  14  13.179   4.762   0.540
  163   2HG   LYS  14          1HG       LYS  14  13.877   3.436  -0.392
  164   1HD   LYS  14          2HD       LYS  14  13.979   6.303  -1.347
  165   2HD   LYS  14          1HD       LYS  14  15.237   5.605  -0.326
  166   1HE   LYS  14          2HE       LYS  14  15.773   3.936  -1.987
  167   2HE   LYS  14          1HE       LYS  14  14.358   4.380  -2.962
  168   1HZ   LYS  14          3HZ       LYS  14  15.277   6.659  -3.085
  169   2HZ   LYS  14          2HZ       LYS  14  16.687   6.108  -2.314
  170   3HZ   LYS  14          1HZ       LYS  14  16.264   5.508  -3.847
  171    QB   LYS  14           QB       LYS  14  12.176   4.563  -1.934
  172    QG   LYS  14           QG       LYS  14  13.528   4.099   0.074
  173    QD   LYS  14           QD       LYS  14  14.608   5.954  -0.837
  174    QE   LYS  14           QE       LYS  14  15.065   4.158  -2.475
  175    QZ   LYS  14           QZ       LYS  14  16.076   6.092  -3.082
  176    H    GLY  15           H        GLY  15   9.809   1.694  -1.165
  177   1HA   GLY  15          2HA       GLY  15  11.086  -0.520  -0.908
  178   2HA   GLY  15          1HA       GLY  15  11.417   0.033   0.735
  179    QA   GLY  15           QA       GLY  15  11.252  -0.244  -0.086
  180    H    GLU  16           H        GLU  16  10.237  -2.212   0.977
  181    HA   GLU  16           HA       GLU  16   7.290  -1.957   0.855
  182   1HB   GLU  16          2HB       GLU  16   7.368  -4.359   1.155
  183   2HB   GLU  16          1HB       GLU  16   8.602  -3.910  -0.020
  184   1HG   GLU  16          2HG       GLU  16  10.055  -3.738   2.261
  185   2HG   GLU  16          1HG       GLU  16   8.914  -5.003   2.719
  186    QB   GLU  16           QB       GLU  16   7.985  -4.134   0.567
  187    QG   GLU  16           QG       GLU  16   9.484  -4.370   2.490
  188    H    ILE  17           H        ILE  17   5.975  -2.112   2.728
  189    HA   ILE  17           HA       ILE  17   7.405  -1.691   5.331
  190    HB   ILE  17           HB       ILE  17   4.666  -0.822   4.350
  191   1HG1  ILE  17          2HG1      ILE  17   6.529   0.388   3.275
  192   2HG1  ILE  17          1HG1      ILE  17   5.658   1.447   4.381
  193   1HG2  ILE  17          3HG2      ILE  17   4.707  -1.219   6.787
  194   2HG2  ILE  17          2HG2      ILE  17   6.122  -0.175   6.933
  195   3HG2  ILE  17          1HG2      ILE  17   4.574   0.503   6.429
  196   1HD1  ILE  17          1HD1      ILE  17   7.589   0.324   6.017
  197   2HD1  ILE  17          3HD1      ILE  17   8.444   0.521   4.486
  198   3HD1  ILE  17          2HD1      ILE  17   7.694   1.915   5.264
  199    QG1  ILE  17           QG1      ILE  17   6.093   0.917   3.828
  200    QG2  ILE  17           QG2      ILE  17   5.135  -0.297   6.716
  201    QD1  ILE  17           QD1      ILE  17   7.909   0.920   5.256
  202    H    THR  18           H        THR  18   4.972  -3.567   3.640
  203    HA   THR  18           HA       THR  18   3.761  -5.486   4.231
  204    HB   THR  18           HB       THR  18   4.972  -7.087   5.461
  205    HG1  THR  18          1HG       THR  18   6.428  -5.066   6.785
  206   1HG2  THR  18          2HG2      THR  18   6.366  -5.524   3.639
  207   2HG2  THR  18          1HG2      THR  18   7.456  -5.609   5.023
  208   3HG2  THR  18          3HG2      THR  18   6.880  -7.093   4.261
  209    QG2  THR  18           QG2      THR  18   6.901  -6.075   4.308
  210    H    ILE  19           H        ILE  19   1.784  -5.144   5.114
  211    HA   ILE  19           HA       ILE  19   1.610  -4.676   8.054
  212    HB   ILE  19           HB       ILE  19  -0.083  -2.905   7.639
  213   1HG1  ILE  19          2HG1      ILE  19   0.212  -2.033   5.097
  214   2HG1  ILE  19          1HG1      ILE  19   0.398  -3.765   4.827
  215   1HG2  ILE  19          2HG2      ILE  19   2.413  -2.448   7.860
  216   2HG2  ILE  19          1HG2      ILE  19   2.452  -2.305   6.102
  217   3HG2  ILE  19          3HG2      ILE  19   1.476  -1.188   7.056
  218   1HD1  ILE  19          3HD1      ILE  19  -1.746  -3.853   6.427
  219   2HD1  ILE  19          2HD1      ILE  19  -1.984  -2.233   5.772
  220   3HD1  ILE  19          1HD1      ILE  19  -1.901  -3.620   4.685
  221    QG1  ILE  19           QG1      ILE  19   0.305  -2.899   4.962
  222    QG2  ILE  19           QG2      ILE  19   2.113  -1.981   7.006
  223    QD1  ILE  19           QD1      ILE  19  -1.877  -3.235   5.628
  224    H    GLU  20           H        GLU  20   0.003  -5.891   8.981
  225    HA   GLU  20           HA       GLU  20  -1.418  -7.876   7.425
  226   1HB   GLU  20          2HB       GLU  20  -0.609  -8.015   9.823
  227   2HB   GLU  20          1HB       GLU  20  -1.930  -6.932  10.262
  228   1HG   GLU  20          2HG       GLU  20  -3.536  -8.563   9.244
  229   2HG   GLU  20          1HG       GLU  20  -2.187  -9.668   8.983
  230    QB   GLU  20           QB       GLU  20  -1.269  -7.473  10.043
  231    QG   GLU  20           QG       GLU  20  -2.862  -9.115   9.113
  232    H    ALA  21           H        ALA  21  -3.675  -7.974   6.978
  233    HA   ALA  21           HA       ALA  21  -5.511  -5.843   7.760
  234   1HB   ALA  21          1HB       ALA  21  -3.931  -4.890   5.978
  235   2HB   ALA  21          3HB       ALA  21  -4.704  -6.003   4.848
  236   3HB   ALA  21          2HB       ALA  21  -5.656  -4.746   5.639
  237    QB   ALA  21           QB       ALA  21  -4.764  -5.213   5.488
  238    H    VAL  22           H        VAL  22  -7.690  -6.296   6.995
  239    HA   VAL  22           HA       VAL  22  -8.476  -8.984   6.876
  240    HB   VAL  22           HB       VAL  22  -9.933  -7.075   7.404
  241   1HG1  VAL  22          1HG1      VAL  22  -8.865  -5.656   5.522
  242   2HG1  VAL  22          3HG1      VAL  22 -10.033  -6.437   4.456
  243   3HG1  VAL  22          2HG1      VAL  22 -10.594  -5.458   5.811
  244   1HG2  VAL  22          2HG2      VAL  22 -10.831  -8.673   4.986
  245   2HG2  VAL  22          1HG2      VAL  22 -11.034  -9.129   6.678
  246   3HG2  VAL  22          3HG2      VAL  22 -11.910  -7.743   6.025
  247    QG1  VAL  22           QG1      VAL  22  -9.831  -5.851   5.263
  248    QG2  VAL  22           QG2      VAL  22 -11.258  -8.515   5.896
  249    QQG  VAL  22           QQG      VAL  22 -10.545  -7.183   5.580
  250    H    ASP  23           H        ASP  23  -7.807  -6.756   4.173
  251    HA   ASP  23           HA       ASP  23  -7.237  -9.023   2.388
  252   1HB   ASP  23          2HB       ASP  23  -9.833  -7.703   2.524
  253   2HB   ASP  23          1HB       ASP  23  -9.120  -7.520   0.922
  254    QB   ASP  23           QB       ASP  23  -9.477  -7.611   1.723
  255    H    ALA  24           H        ALA  24  -6.891  -7.941   0.032
  256    HA   ALA  24           HA       ALA  24  -4.774  -6.025   0.323
  257   1HB   ALA  24          3HB       ALA  24  -5.557  -7.773  -1.577
  258   2HB   ALA  24          2HB       ALA  24  -6.227  -6.295  -2.270
  259   3HB   ALA  24          1HB       ALA  24  -4.498  -6.408  -1.934
  260    QB   ALA  24           QB       ALA  24  -5.427  -6.825  -1.927
  261    H    ALA  25           H        ALA  25  -8.227  -5.717  -0.370
  262    HA   ALA  25           HA       ALA  25  -8.374  -3.062  -1.302
  263   1HB   ALA  25          2HB       ALA  25 -10.176  -4.876  -1.018
  264   2HB   ALA  25          1HB       ALA  25 -10.298  -4.332   0.655
  265   3HB   ALA  25          3HB       ALA  25 -10.672  -3.221  -0.663
  266    QB   ALA  25           QB       ALA  25 -10.382  -4.143  -0.342
  267    H    GLU  26           H        GLU  26  -8.419  -4.272   2.054
  268    HA   GLU  26           HA       GLU  26  -8.517  -1.662   3.306
  269   1HB   GLU  26          2HB       GLU  26  -8.711  -4.356   4.033
  270   2HB   GLU  26          1HB       GLU  26  -7.220  -3.828   4.812
  271   1HG   GLU  26          2HG       GLU  26  -8.683  -1.743   5.513
  272   2HG   GLU  26          1HG       GLU  26 -10.025  -2.856   5.241
  273    QB   GLU  26           QB       GLU  26  -7.966  -4.092   4.422
  274    QG   GLU  26           QG       GLU  26  -9.354  -2.300   5.377
  275    H    ALA  27           H        ALA  27  -5.871  -3.967   2.600
  276    HA   ALA  27           HA       ALA  27  -3.698  -2.500   3.700
  277   1HB   ALA  27          3HB       ALA  27  -4.104  -4.497   1.500
  278   2HB   ALA  27          2HB       ALA  27  -2.529  -3.711   1.632
  279   3HB   ALA  27          1HB       ALA  27  -3.166  -4.648   2.985
  280    QB   ALA  27           QB       ALA  27  -3.266  -4.285   2.039
  281    H    GLU  28           H        GLU  28  -5.220  -2.303   0.482
  282    HA   GLU  28           HA       GLU  28  -3.457  -0.367  -0.674
  283   1HB   GLU  28          2HB       GLU  28  -5.328  -1.847  -1.700
  284   2HB   GLU  28          1HB       GLU  28  -6.430  -0.570  -1.191
  285   1HG   GLU  28          2HG       GLU  28  -4.812   1.041  -2.414
  286   2HG   GLU  28          1HG       GLU  28  -4.170  -0.407  -3.192
  287    QB   GLU  28           QB       GLU  28  -5.879  -1.209  -1.445
  288    QG   GLU  28           QG       GLU  28  -4.491   0.317  -2.803
  289    H    LYS  29           H        LYS  29  -6.449  -0.019   1.256
  290    HA   LYS  29           HA       LYS  29  -6.505   2.871   1.096
  291   1HB   LYS  29          2HB       LYS  29  -8.527   2.521   2.076
  292   2HB   LYS  29          1HB       LYS  29  -8.197   0.825   1.824
  293   1HG   LYS  29          2HG       LYS  29  -8.858   0.965   4.089
  294   2HG   LYS  29          1HG       LYS  29  -7.113   0.828   4.154
  295   1HD   LYS  29          2HD       LYS  29  -8.196   2.574   5.691
  296   2HD   LYS  29          1HD       LYS  29  -6.850   3.136   4.720
  297   1HE   LYS  29          2HE       LYS  29  -8.364   4.195   3.128
  298   2HE   LYS  29          1HE       LYS  29  -9.772   3.503   3.963
  299   1HZ   LYS  29          2HZ       LYS  29  -8.981   4.616   6.011
  300   2HZ   LYS  29          1HZ       LYS  29  -7.782   5.396   5.096
  301   3HZ   LYS  29          3HZ       LYS  29  -9.419   5.713   4.789
  302    QB   LYS  29           QB       LYS  29  -8.362   1.673   1.950
  303    QG   LYS  29           QG       LYS  29  -7.986   0.896   4.121
  304    QD   LYS  29           QD       LYS  29  -7.523   2.855   5.205
  305    QE   LYS  29           QE       LYS  29  -9.068   3.849   3.545
  306    QZ   LYS  29           QZ       LYS  29  -8.727   5.242   5.299
  307    H    ILE  30           H        ILE  30  -5.254   0.564   3.535
  308    HA   ILE  30           HA       ILE  30  -4.324   2.534   5.412
  309    HB   ILE  30           HB       ILE  30  -3.303  -0.254   4.739
  310   1HG1  ILE  30          2HG1      ILE  30  -5.188   0.579   6.958
  311   2HG1  ILE  30          1HG1      ILE  30  -5.763   0.023   5.387
  312   1HG2  ILE  30          2HG2      ILE  30  -2.743   1.678   6.972
  313   2HG2  ILE  30          1HG2      ILE  30  -2.719  -0.055   7.302
  314   3HG2  ILE  30          3HG2      ILE  30  -1.624   0.630   6.100
  315   1HD1  ILE  30          1HD1      ILE  30  -3.929  -1.923   6.011
  316   2HD1  ILE  30          3HD1      ILE  30  -4.568  -1.515   7.604
  317   3HD1  ILE  30          2HD1      ILE  30  -5.661  -2.049   6.326
  318    QG1  ILE  30           QG1      ILE  30  -5.476   0.301   6.173
  319    QG2  ILE  30           QG2      ILE  30  -2.362   0.751   6.791
  320    QD1  ILE  30           QD1      ILE  30  -4.719  -1.829   6.647
  321    H    PHE  31           H        PHE  31  -2.811   0.921   2.631
  322    HA   PHE  31           HA       PHE  31  -0.234   2.213   2.899
  323   1HB   PHE  31          2HB       PHE  31  -1.738   0.633   0.827
  324   2HB   PHE  31          1HB       PHE  31  -0.244   1.442   0.364
  325    HD1  PHE  31          1HD       PHE  31   1.498   1.215   2.645
  326    HD2  PHE  31          2HD       PHE  31  -1.334  -1.636   1.131
  327    HE1  PHE  31          1HE       PHE  31   2.812  -0.626   3.660
  328    HE2  PHE  31          2HE       PHE  31  -0.019  -3.478   2.149
  329   1HZ   PHE  31           HZ       PHE  31   2.054  -2.971   3.413
  330    QB   PHE  31           QB       PHE  31  -0.991   1.037   0.596
  331    QG   PHE  31           QD       PHE  31   0.082  -0.211   1.888
  332    QZ   PHE  31           QE       PHE  31   1.396  -2.052   2.905
  333    QZ   PHE  31           QR       PHE  31   1.002  -1.499   2.600
  334    H    LYS  32           H        LYS  32  -3.178   2.896   1.002
  335    HA   LYS  32           HA       LYS  32  -2.089   5.178  -0.374
  336   1HB   LYS  32          2HB       LYS  32  -4.817   4.018   0.104
  337   2HB   LYS  32          1HB       LYS  32  -4.644   5.582  -0.685
  338   1HG   LYS  32          2HG       LYS  32  -3.027   4.502  -2.293
  339   2HG   LYS  32          1HG       LYS  32  -3.476   2.945  -1.601
  340   1HD   LYS  32          2HD       LYS  32  -4.962   3.090  -3.392
  341   2HD   LYS  32          1HD       LYS  32  -5.932   3.769  -2.084
  342   1HE   LYS  32          2HE       LYS  32  -5.227   6.060  -2.771
  343   2HE   LYS  32          1HE       LYS  32  -4.336   5.350  -4.132
  344   1HZ   LYS  32          3HZ       LYS  32  -7.212   4.840  -3.596
  345   2HZ   LYS  32          2HZ       LYS  32  -6.656   6.019  -4.686
  346   3HZ   LYS  32          1HZ       LYS  32  -6.327   4.376  -4.966
  347    QB   LYS  32           QB       LYS  32  -4.731   4.800  -0.290
  348    QG   LYS  32           QG       LYS  32  -3.251   3.724  -1.947
  349    QD   LYS  32           QD       LYS  32  -5.447   3.430  -2.738
  350    QE   LYS  32           QE       LYS  32  -4.781   5.705  -3.452
  351    QZ   LYS  32           QZ       LYS  32  -6.732   5.078  -4.416
  352    H    GLN  33           H        GLN  33  -2.830   4.786   2.899
  353    HA   GLN  33           HA       GLN  33  -3.643   7.659   3.252
  354   1HB   GLN  33          2HB       GLN  33  -4.821   5.699   4.427
  355   2HB   GLN  33          1HB       GLN  33  -3.311   5.425   5.296
  356   1HG   GLN  33          2HG       GLN  33  -3.452   7.905   5.971
  357   2HG   GLN  33          1HG       GLN  33  -5.125   7.836   5.418
  358   1HE2  GLN  33          2HE2      GLN  33  -4.889   6.907   9.091
  359   2HE2  GLN  33          1HE2      GLN  33  -4.293   8.230   8.211
  360    QB   GLN  33           QB       GLN  33  -4.066   5.562   4.861
  361    QG   GLN  33           QG       GLN  33  -4.288   7.871   5.694
  362    QE2  GLN  33           QE2      GLN  33  -4.591   7.569   8.651
  363    H    TYR  34           H        TYR  34  -1.424   5.134   4.127
  364    HA   TYR  34           HA       TYR  34   0.671   6.249   5.547
  365   1HB   TYR  34          2HB       TYR  34   0.041   3.952   4.323
  366   2HB   TYR  34          1HB       TYR  34   1.123   4.589   3.091
  367    HD1  TYR  34          1HD       TYR  34   0.932   3.659   6.689
  368    HD2  TYR  34          2HD       TYR  34   3.480   4.664   3.380
  369    HE1  TYR  34          1HE       TYR  34   2.916   2.977   8.014
  370    HE2  TYR  34          2HE       TYR  34   5.467   3.980   4.705
  371    HH   TYR  34           HH       TYR  34   5.241   2.198   7.569
  372    QB   TYR  34           QB       TYR  34   0.582   4.271   3.707
  373    QG   TYR  34           QD       TYR  34   2.206   4.162   5.035
  374    QZ   TYR  34           QE       TYR  34   4.191   3.479   6.359
  375    QR   TYR  34           QR       TYR  34   3.199   3.820   5.697
  376    H    ALA  35           H        ALA  35   0.419   6.126   1.993
  377    HA   ALA  35           HA       ALA  35   2.716   7.698   1.347
  378   1HB   ALA  35          1HB       ALA  35   0.249   6.668   0.037
  379   2HB   ALA  35          3HB       ALA  35   1.007   8.063  -0.747
  380   3HB   ALA  35          2HB       ALA  35   1.935   6.573  -0.503
  381    QB   ALA  35           QB       ALA  35   1.064   7.101  -0.404
  382    H    ASN  36           H        ASN  36  -0.754   8.605   1.442
  383    HA   ASN  36           HA       ASN  36  -0.404  11.390   0.880
  384   1HB   ASN  36          2HB       ASN  36  -2.514   9.645   2.104
  385   2HB   ASN  36          1HB       ASN  36  -2.729  11.395   2.092
  386   1HD2  ASN  36          2HD2      ASN  36  -2.699   9.390  -1.501
  387   2HD2  ASN  36          1HD2      ASN  36  -1.955   8.679  -0.151
  388    QB   ASN  36           QB       ASN  36  -2.621  10.520   2.098
  389    QD2  ASN  36           QD2      ASN  36  -2.327   9.035  -0.826
  390    H    ASP  37           H        ASP  37  -0.842   9.707   4.007
  391    HA   ASP  37           HA       ASP  37  -0.897  11.855   5.780
  392   1HB   ASP  37          2HB       ASP  37  -0.896   9.211   6.024
  393   2HB   ASP  37          1HB       ASP  37   0.805   9.478   6.411
  394    QB   ASP  37           QB       ASP  37  -0.045   9.344   6.217
  395    H    ASN  38           H        ASN  38   1.855  10.568   4.077
  396    HA   ASN  38           HA       ASN  38   3.719  12.354   5.498
  397   1HB   ASN  38          2HB       ASN  38   3.924   9.796   4.658
  398   2HB   ASN  38          1HB       ASN  38   4.564  10.619   3.235
  399   1HD2  ASN  38          2HD2      ASN  38   7.281  10.007   5.839
  400   2HD2  ASN  38          1HD2      ASN  38   6.102   8.975   5.189
  401    QB   ASN  38           QB       ASN  38   4.244  10.207   3.947
  402    QD2  ASN  38           QD2      ASN  38   6.692   9.491   5.514
  403    H    GLY  39           H        GLY  39   2.598  11.633   2.209
  404   1HA   GLY  39          2HA       GLY  39   2.005  13.713   0.840
  405   2HA   GLY  39          1HA       GLY  39   3.609  14.301   1.304
  406    QA   GLY  39           QA       GLY  39   2.807  14.007   1.072
  407    H    ILE  40           H        ILE  40   2.161  11.305   0.000
  408    HA   ILE  40           HA       ILE  40   4.566  11.012  -1.773
  409    HB   ILE  40           HB       ILE  40   2.632   9.115  -0.485
  410   1HG1  ILE  40          2HG1      ILE  40   4.794  10.519   0.628
  411   2HG1  ILE  40          1HG1      ILE  40   3.959   9.159   1.348
  412   1HG2  ILE  40          3HG2      ILE  40   3.508   8.275  -2.652
  413   2HG2  ILE  40          2HG2      ILE  40   5.143   8.421  -2.006
  414   3HG2  ILE  40          1HG2      ILE  40   4.001   7.292  -1.271
  415   1HD1  ILE  40          3HD1      ILE  40   6.329   8.942  -0.508
  416   2HD1  ILE  40          2HD1      ILE  40   6.421   8.848   1.257
  417   3HD1  ILE  40          1HD1      ILE  40   5.540   7.615   0.346
  418    QG1  ILE  40           QG1      ILE  40   4.377   9.839   0.988
  419    QG2  ILE  40           QG2      ILE  40   4.218   7.996  -1.977
  420    QD1  ILE  40           QD1      ILE  40   6.097   8.468   0.365
  421    H    ASP  41           H        ASP  41   4.162  10.727  -3.967
  422    HA   ASP  41           HA       ASP  41   1.310  10.444  -4.862
  423   1HB   ASP  41          2HB       ASP  41   2.827  12.704  -5.050
  424   2HB   ASP  41          1HB       ASP  41   3.247  11.912  -6.569
  425    QB   ASP  41           QB       ASP  41   3.037  12.308  -5.810
  426    H    GLY  42           H        GLY  42   1.522   9.882  -7.438
  427   1HA   GLY  42          2HA       GLY  42   3.249   8.714  -8.942
  428   2HA   GLY  42          1HA       GLY  42   3.476   7.648  -7.562
  429    QA   GLY  42           QA       GLY  42   3.363   8.181  -8.252
  430    H    GLU  43           H        GLU  43   2.913   6.250  -9.631
  431    HA   GLU  43           HA       GLU  43   0.013   5.963 -10.133
  432   1HB   GLU  43          2HB       GLU  43   2.583   4.657 -11.036
  433   2HB   GLU  43          1HB       GLU  43   1.010   4.015 -11.520
  434   1HG   GLU  43          2HG       GLU  43   1.468   5.484 -13.277
  435   2HG   GLU  43          1HG       GLU  43   0.518   6.508 -12.201
  436    QB   GLU  43           QB       GLU  43   1.797   4.336 -11.278
  437    QG   GLU  43           QG       GLU  43   0.993   5.996 -12.739
  438    H    TRP  44           H        TRP  44  -1.248   4.690  -8.809
  439    HA   TRP  44           HA       TRP  44   0.008   2.813  -6.884
  440   1HB   TRP  44          2HB       TRP  44  -2.679   4.065  -7.375
  441   2HB   TRP  44          1HB       TRP  44  -2.587   2.600  -6.387
  442    HD1  TRP  44           HD       TRP  44  -1.495   6.256  -6.427
  443    HE1  TRP  44          1HE       TRP  44  -0.647   6.873  -4.069
  444    HE3  TRP  44          3HE       TRP  44  -1.579   1.649  -4.263
  445    HZ2  TRP  44          2HZ       TRP  44  -0.074   5.565  -1.585
  446    HZ3  TRP  44          3HZ       TRP  44  -0.871   1.354  -1.900
  447    HH2  TRP  44           HH       TRP  44  -0.117   3.304  -0.568
  448    QB   TRP  44           QB       TRP  44  -2.633   3.333  -6.881
  449    H    THR  45           H        THR  45   0.177   0.682  -7.266
  450    HA   THR  45           HA       THR  45  -1.720  -0.636  -9.157
  451    HB   THR  45           HB       THR  45   0.070  -1.615 -10.402
  452    HG1  THR  45          1HG       THR  45   1.580  -2.179  -9.002
  453   1HG2  THR  45          1HG2      THR  45  -0.338   0.777 -10.929
  454   2HG2  THR  45          3HG2      THR  45   0.932   1.218  -9.785
  455   3HG2  THR  45          2HG2      THR  45   1.333   0.301 -11.240
  456    QG2  THR  45           QG2      THR  45   0.643   0.766 -10.651
  457    H    TYR  46           H        TYR  46  -2.388  -2.564  -8.338
  458    HA   TYR  46           HA       TYR  46  -1.123  -3.529  -5.823
  459   1HB   TYR  46          2HB       TYR  46  -3.501  -3.167  -5.747
  460   2HB   TYR  46          1HB       TYR  46  -3.748  -4.050  -7.256
  461    HD1  TYR  46          2HD       TYR  46  -1.936  -4.701  -4.033
  462    HD2  TYR  46          1HD       TYR  46  -4.738  -6.141  -6.949
  463    HE1  TYR  46          2HE       TYR  46  -2.161  -6.814  -2.768
  464    HE2  TYR  46          1HE       TYR  46  -4.958  -8.264  -5.687
  465    HH   TYR  46           HH       TYR  46  -4.539  -8.838  -2.975
  466    QB   TYR  46           QB       TYR  46  -3.625  -3.609  -6.501
  467    QG   TYR  46           QD       TYR  46  -3.337  -5.421  -5.491
  468    QZ   TYR  46           QE       TYR  46  -3.559  -7.539  -4.228
  469    QR   TYR  46           QR       TYR  46  -3.448  -6.480  -4.860
  470    H    ASP  47           H        ASP  47  -0.214  -5.602  -5.684
  471    HA   ASP  47           HA       ASP  47   0.108  -7.091  -8.269
  472   1HB   ASP  47          2HB       ASP  47   1.865  -6.925  -5.795
  473   2HB   ASP  47          1HB       ASP  47   2.239  -7.861  -7.240
  474    QB   ASP  47           QB       ASP  47   2.052  -7.393  -6.518
  475    H    ASP  48           H        ASP  48  -1.615  -8.553  -8.085
  476    HA   ASP  48           HA       ASP  48  -2.373  -9.878  -5.632
  477   1HB   ASP  48          2HB       ASP  48  -3.794  -9.442  -7.658
  478   2HB   ASP  48          1HB       ASP  48  -2.876 -10.685  -8.510
  479    QB   ASP  48           QB       ASP  48  -3.335 -10.063  -8.084
  480    H    ALA  49           H        ALA  49   0.371 -10.357  -7.536
  481    HA   ALA  49           HA       ALA  49   0.502 -13.287  -7.197
  482   1HB   ALA  49          1HB       ALA  49   1.249 -12.156  -9.273
  483   2HB   ALA  49          3HB       ALA  49   2.430 -11.237  -8.341
  484   3HB   ALA  49          2HB       ALA  49   2.591 -12.987  -8.489
  485    QB   ALA  49           QB       ALA  49   2.090 -12.127  -8.701
  486    H    THR  50           H        THR  50   1.736 -10.321  -5.756
  487    HA   THR  50           HA       THR  50   3.202 -11.982  -3.736
  488    HB   THR  50           HB       THR  50   4.894 -10.150  -3.738
  489    HG1  THR  50          1HG       THR  50   4.675  -8.472  -5.075
  490   1HG2  THR  50          3HG2      THR  50   4.983 -12.200  -5.262
  491   2HG2  THR  50          2HG2      THR  50   4.431 -11.135  -6.554
  492   3HG2  THR  50          1HG2      THR  50   5.970 -10.823  -5.751
  493    QG2  THR  50           QG2      THR  50   5.128 -11.386  -5.856
  494    H    LYS  51           H        LYS  51   0.536 -10.138  -4.136
  495    HA   LYS  51           HA       LYS  51  -0.775  -8.785  -2.714
  496   1HB   LYS  51          2HB       LYS  51   1.068 -10.095  -0.682
  497   2HB   LYS  51          1HB       LYS  51  -0.477  -9.333  -0.313
  498   1HG   LYS  51          2HG       LYS  51  -0.644 -11.336  -2.466
  499   2HG   LYS  51          1HG       LYS  51  -0.133 -12.007  -0.918
  500   1HD   LYS  51          2HD       LYS  51  -2.113 -10.604   0.060
  501   2HD   LYS  51          1HD       LYS  51  -2.698 -10.593  -1.604
  502   1HE   LYS  51          2HE       LYS  51  -3.323 -12.783  -1.508
  503   2HE   LYS  51          1HE       LYS  51  -1.822 -13.258  -0.688
  504   1HZ   LYS  51          1HZ       LYS  51  -3.992 -11.724   0.634
  505   2HZ   LYS  51          3HZ       LYS  51  -3.866 -13.413   0.722
  506   3HZ   LYS  51          2HZ       LYS  51  -2.635 -12.435   1.368
  507    QB   LYS  51           QB       LYS  51   0.296  -9.714  -0.498
  508    QG   LYS  51           QG       LYS  51  -0.389 -11.671  -1.692
  509    QD   LYS  51           QD       LYS  51  -2.405 -10.598  -0.772
  510    QE   LYS  51           QE       LYS  51  -2.572 -13.020  -1.098
  511    QZ   LYS  51           QZ       LYS  51  -3.498 -12.524   0.908
  512    H    THR  52           H        THR  52   1.381  -7.434  -3.948
  513    HA   THR  52           HA       THR  52   2.172  -5.503  -1.782
  514    HB   THR  52           HB       THR  52   3.789  -6.409  -4.183
  515    HG1  THR  52          1HG       THR  52   4.029  -8.070  -2.907
  516   1HG2  THR  52          2HG2      THR  52   4.214  -4.446  -1.960
  517   2HG2  THR  52          1HG2      THR  52   5.602  -5.328  -2.598
  518   3HG2  THR  52          3HG2      THR  52   4.637  -4.311  -3.667
  519    QG2  THR  52           QG2      THR  52   4.817  -4.695  -2.742
  520    H    PHE  53           H        PHE  53   1.581  -3.419  -2.225
  521    HA   PHE  53           HA       PHE  53   0.449  -2.750  -4.877
  522   1HB   PHE  53          2HB       PHE  53   0.659  -1.337  -2.204
  523   2HB   PHE  53          1HB       PHE  53  -0.151  -0.639  -3.604
  524    HD1  PHE  53          1HD       PHE  53  -0.167  -3.555  -1.277
  525    HD2  PHE  53          2HD       PHE  53  -2.369  -1.282  -4.188
  526    HE1  PHE  53          1HE       PHE  53  -2.227  -4.815  -0.700
  527    HE2  PHE  53          2HE       PHE  53  -4.421  -2.543  -3.610
  528   1HZ   PHE  53           HZ       PHE  53  -4.353  -4.307  -1.869
  529    QB   PHE  53           QB       PHE  53   0.254  -0.988  -2.904
  530    QG   PHE  53           QD       PHE  53  -1.268  -2.419  -2.732
  531    QZ   PHE  53           QE       PHE  53  -3.324  -3.679  -2.155
  532    QZ   PHE  53           QR       PHE  53  -2.707  -3.300  -2.329
  533    H    THR  54           H        THR  54   1.174  -0.157  -5.433
  534    HA   THR  54           HA       THR  54   4.011   0.316  -4.869
  535    HB   THR  54           HB       THR  54   3.105  -0.384  -7.681
  536    HG1  THR  54          1HG       THR  54   4.536  -1.861  -5.738
  537   1HG2  THR  54          3HG2      THR  54   5.152   1.219  -6.998
  538   2HG2  THR  54          2HG2      THR  54   5.957  -0.343  -6.850
  539   3HG2  THR  54          1HG2      THR  54   5.224   0.129  -8.382
  540    QG2  THR  54           QG2      THR  54   5.444   0.335  -7.410
  541    H    VAL  55           H        VAL  55   4.150   2.493  -4.782
  542    HA   VAL  55           HA       VAL  55   2.331   4.109  -6.539
  543    HB   VAL  55           HB       VAL  55   1.563   4.442  -4.329
  544   1HG1  VAL  55          2HG1      VAL  55   4.446   4.585  -3.399
  545   2HG1  VAL  55          1HG1      VAL  55   3.019   4.803  -2.371
  546   3HG1  VAL  55          3HG1      VAL  55   3.318   3.238  -3.147
  547   1HG2  VAL  55          3HG2      VAL  55   3.627   6.608  -4.808
  548   2HG2  VAL  55          2HG2      VAL  55   1.947   6.614  -5.349
  549   3HG2  VAL  55          1HG2      VAL  55   2.319   6.711  -3.624
  550    QG1  VAL  55           QG1      VAL  55   3.594   4.208  -2.973
  551    QG2  VAL  55           QG2      VAL  55   2.631   6.644  -4.594
  552    QQG  VAL  55           QQG      VAL  55   3.113   5.426  -3.783
  553    H    THR  56           H        THR  56   3.820   4.310  -8.219
  554    HA   THR  56           HA       THR  56   6.583   5.138  -7.704
  555    HB   THR  56           HB       THR  56   5.034   3.800  -9.707
  556    HG1  THR  56          1HG       THR  56   6.894   2.920  -9.273
  557   1HG2  THR  56          1HG2      THR  56   6.553   6.169 -10.822
  558   2HG2  THR  56          3HG2      THR  56   6.040   4.777 -11.778
  559   3HG2  THR  56          2HG2      THR  56   4.828   5.820 -11.022
  560    QG2  THR  56           QG2      THR  56   5.807   5.589 -11.208
  561    H    GLU  57           H        GLU  57   6.560   7.210  -6.821
  562    HA   GLU  57           HA       GLU  57   4.902   9.400  -7.555
  563   1HB   GLU  57          2HB       GLU  57   6.578   9.018  -5.602
  564   2HB   GLU  57          1HB       GLU  57   7.795   9.650  -6.712
  565   1HG   GLU  57          2HG       GLU  57   5.946  11.553  -7.050
  566   2HG   GLU  57          1HG       GLU  57   5.497  11.050  -5.420
  567    QB   GLU  57           QB       GLU  57   7.187   9.334  -6.157
  568    QG   GLU  57           QG       GLU  57   5.722  11.301  -6.235
   
  No H/Q in entry =         568