*HEADER    LIGASE                                  27-JAN-04   1UW0
*TITLE     SOLUTION STRUCTURE OF THE ZINC-FINGER DOMAIN FROM DNA
*TITLE    2 LIGASE IIIA
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: DNA LIGASE III;
*COMPND   3 SYNONYM: POLYDEOXYRIBONUCLEOTIDE SYNTHASE [ATP];
*COMPND   4 CHAIN: A;
*COMPND   5 EC: 6.5.1.1;
*COMPND   6 FRAGMENT: ZINC-FINGER DOMAIN, RESIDUES 1-117;
*COMPND   7 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   3 ORGANISM_COMMON: HUMAN;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21;
*SOURCE   6 EXPRESSION_SYSTEM_VARIANT: CODON PLUS RP;
*SOURCE   7 EXPRESSION_SYSTEM_CELL_LINE: DE3;
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET28A
*KEYWDS    DNA REPAIR, ZINC FINGER, LIGASE, PARP-LIKE FINGER,
*KEYWDS   2 CELL DIVISION, DNA REPLICATION, NUCLEAR PROTEIN
*EXPDTA    NMR, 28 STRUCTURES
*AUTHOR    A.W.KULCZYK,J.-C.YANG,D.NEUHAUS




  noe.tbl                                                        documacs            oS      {`  {`   mBIN                      




assign ( resid 4   and name HA       and segid DNA3 )
       ( resid 4   and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 4   and name HB*      and segid DNA3 )
       ( resid 4   and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 4   and name HG*      and segid DNA3 )
       ( resid 4   and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 4   and name HN       and segid DNA3 )
       ( resid 5   and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 5   and name HA       and segid DNA3 )
       ( resid 5   and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 5   and name HA       and segid DNA3 )
       ( resid 5   and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 5   and name HB*      and segid DNA3 )
       ( resid 5   and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 5   and name HN       and segid DNA3 )
       ( resid 6   and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 5   and name HA       and segid DNA3 )
       ( resid 6   and name HN       and segid DNA3 ) 2.3 2.3 0.0 ! 

assign ( resid 5   and name HB*      and segid DNA3 )
       ( resid 6   and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 5   and name HN       and segid DNA3 )
       ( resid 35  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 5   and name HN       and segid DNA3 )
       ( resid 35  and name HG1*     and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 5   and name HN       and segid DNA3 )
       ( resid 35  and name HG2*     and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 5   and name HB*      and segid DNA3 )
       ( resid 35  and name HG1*     and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 6   and name HN       and segid DNA3 )
       ( resid 6   and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 6   and name HN       and segid DNA3 )
       ( resid 6   and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 6   and name HB*      and segid DNA3 )
       ( resid 6   and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 6   and name HB*      and segid DNA3 )
       ( resid 6   and name HE*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 6   and name HA       and segid DNA3 )
       ( resid 7   and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 6   and name HB*      and segid DNA3 )
       ( resid 7   and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 6   and name HD*      and segid DNA3 )
       ( resid 7   and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 6   and name HD*      and segid DNA3 )
       ( resid 32  and name HB       and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 6   and name HD*      and segid DNA3 )
       ( resid 32  and name HG2*     and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 6   and name HE*      and segid DNA3 )
       ( resid 32  and name HB       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 6   and name HE*      and segid DNA3 )
       ( resid 32  and name HG2*     and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 6   and name HA       and segid DNA3 )
       ( resid 34  and name HA       and segid DNA3 ) 2.3 2.3 0.0 ! 

assign ( resid 6   and name HD*      and segid DNA3 )
       ( resid 34  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 6   and name HD*      and segid DNA3 )
       ( resid 34  and name HA       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 6   and name HD*      and segid DNA3 )
       ( resid 34  and name HB*      and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 6   and name HD*      and segid DNA3 )
       ( resid 34  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 6   and name HD*      and segid DNA3 )
       ( resid 34  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 6   and name HE*      and segid DNA3 )
       ( resid 34  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 6   and name HE*      and segid DNA3 )
       ( resid 34  and name HB*      and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 6   and name HE*      and segid DNA3 )
       ( resid 34  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 6   and name HE*      and segid DNA3 )
       ( resid 34  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 6   and name HA       and segid DNA3 )
       ( resid 35  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 6   and name HD*      and segid DNA3 )
       ( resid 35  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 6   and name HZ       and segid DNA3 )
       ( resid 60  and name HD1*     and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 6   and name HD*      and segid DNA3 )
       ( resid 70  and name HD*      and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 6   and name HE*      and segid DNA3 )
       ( resid 70  and name HD*      and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 6   and name HZ       and segid DNA3 )
       ( resid 70  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 6   and name HB*       and segid DNA3 )
       ( resid 76  and name HD1*      and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 6   and name HD*       and segid DNA3 )
       ( resid 76  and name HD1*      and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 6   and name HE*       and segid DNA3 )
       ( resid 76  and name HD1*      and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 7   and name HA       and segid DNA3 )
       ( resid 7   and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 7   and name HB*      and segid DNA3 )
       ( resid 7   and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 7   and name HA       and segid DNA3 )
       ( resid 8   and name HN       and segid DNA3 ) 2.9 2.9 0.0 ! increased DN

assign ( resid 7   and name HB*      and segid DNA3 )
       ( resid 8   and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 7   and name HN       and segid DNA3 )
       ( resid 32  and name HG2*     and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 7   and name HN       and segid DNA3 )
       ( resid 33  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 7   and name HN       and segid DNA3 )
       ( resid 34  and name HA       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 7   and name HN       and segid DNA3 )
       ( resid 50  and name HZ3      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 7   and name HA       and segid DNA3 )
       ( resid 76  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! increased DN

assign ( resid 7   and name HA       and segid DNA3 )
       ( resid 76  and name HD2*     and segid DNA3 ) 5.0 5.0 0.0 ! increased DN

assign ( resid 7   and name HA       and segid DNA3 )
       ( resid 77  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 7   and name HA       and segid DNA3 )
       ( resid 77  and name HB*      and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 7   and name HA       and segid DNA3 )
       ( resid 77  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! increased DN 


!*******************************************************************************




assign ( resid 8   and name HN       and segid DNA3 )
       ( resid 8   and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 8   and name HN       and segid DNA3 )
       ( resid 8   and name HB       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 8   and name HN       and segid DNA3 )
       ( resid 8   and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 8   and name HA       and segid DNA3 )
       ( resid 9   and name HN       and segid DNA3 ) 2.3 2.3 0.0 ! 

assign ( resid 8   and name HB       and segid DNA3 )
       ( resid 9   and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 8   and name HA       and segid DNA3 )
       ( resid 32  and name HA       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 8   and name HA       and segid DNA3 )
       ( resid 33  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 8   and name HN       and segid DNA3 )
       ( resid 77  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 8   and name HN       and segid DNA3 )
       ( resid 77  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 8   and name HN       and segid DNA3 )
       ( resid 77  and name HG2      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 8   and name HG2*     and segid DNA3 )
       ( resid 77  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 8   and name HG2*     and segid DNA3 )
       ( resid 79  and name HA       and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 8   and name HG2*     and segid DNA3 )
       ( resid 79  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 !



!*******************************************************************************




assign ( resid 9   and name HN       and segid DNA3 )
       ( resid 9   and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 9   and name HN       and segid DNA3 )
       ( resid 9   and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 9   and name HA       and segid DNA3 )
       ( resid 10  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 9   and name HB*      and segid DNA3 )
       ( resid 10  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 9   and name HN       and segid DNA3 )
       ( resid 31  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 9   and name HN       and segid DNA3 )
       ( resid 31  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 9   and name HN       and segid DNA3 )
       ( resid 32  and name HA       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 9   and name HN       and segid DNA3 )
       ( resid 50  and name HZ3      and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 9   and name HA       and segid DNA3 )
       ( resid 82  and name HD1*     and segid DNA3 ) 3.5 3.5 0.0 !




!*******************************************************************************




assign ( resid 10  and name HA       and segid DNA3 )
       ( resid 10  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 10  and name HB*      and segid DNA3 )
       ( resid 10  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 10  and name HA       and segid DNA3 )
       ( resid 11  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 10  and name HB*      and segid DNA3 )
       ( resid 11  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !
       
assign ( resid 10  and name HD*      and segid DNA3 )
       ( resid 11  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 10  and name HD*      and segid DNA3 )
       ( resid 29  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 10  and name HA       and segid DNA3 )
       ( resid 30  and name HA       and segid DNA3 ) 2.3 2.3 0.0 ! 

assign ( resid 10  and name HD*      and segid DNA3 )
       ( resid 30  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 10  and name HD*      and segid DNA3 )
       ( resid 30  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 10  and name HD*      and segid DNA3 )
       ( resid 30  and name HB*      and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 10  and name HE*      and segid DNA3 )
       ( resid 30  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 10  and name HE*      and segid DNA3 )
       ( resid 30  and name HB*      and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 10  and name HA       and segid DNA3 )
       ( resid 31  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 10  and name HB*      and segid DNA3 )
       ( resid 31  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 10  and name HD*      and segid DNA3 )
       ( resid 31  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 10  and name HD*      and segid DNA3 )
       ( resid 82  and name HN      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 10  and name HD*      and segid DNA3 )
       ( resid 82  and name HD1*     and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 10  and name HE*      and segid DNA3 )
       ( resid 82  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 10  and name HE*      and segid DNA3 )
       ( resid 82  and name HD1*     and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 10  and name HE*      and segid DNA3 )
       ( resid 83  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 10  and name HE*      and segid DNA3 )
       ( resid 86  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 10  and name HE*      and segid DNA3 )
       ( resid 86  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 11  and name HA       and segid DNA3 )
       ( resid 11  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 11  and name HB*      and segid DNA3 )
       ( resid 11  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 11  and name HN       and segid DNA3 )
       ( resid 12  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 11  and name HA       and segid DNA3 )
       ( resid 12  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 11  and name HN       and segid DNA3 )
       ( resid 29  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 11  and name HN       and segid DNA3 )
       ( resid 29  and name HG1*     and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 11  and name HB*      and segid DNA3 )
       ( resid 29  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 11  and name HN       and segid DNA3 )
       ( resid 30  and name HA       and segid DNA3 ) 3.5 3.5 0.0 ! 




!*******************************************************************************




assign ( resid 12  and name HA       and segid DNA3 )
       ( resid 12  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 12  and name HB*      and segid DNA3 )
       ( resid 12  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 12  and name HN       and segid DNA3 )
       ( resid 13  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 13  and name HA       and segid DNA3 )
       ( resid 13  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************



assign ( resid 14  and name HA*      and segid DNA3 )
       ( resid 15  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 



!*******************************************************************************




assign ( resid 15  and name HN       and segid DNA3 )
       ( resid 15  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 15  and name HN       and segid DNA3 )
       ( resid 15  and name HB       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 15  and name HN       and segid DNA3 )
       ( resid 15  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 15  and name HN       and segid DNA3 )
       ( resid 16  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 15  and name HA       and segid DNA3 )
       ( resid 16  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !



!*******************************************************************************




assign ( resid 16  and name HN       and segid DNA3 )
       ( resid 16  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 16  and name HN       and segid DNA3 )
       ( resid 16  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 16  and name HN       and segid DNA3 )
       ( resid 17  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 16  and name HA       and segid DNA3 )
       ( resid 17  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 16  and name HB*      and segid DNA3 )
       ( resid 17  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 16  and name HA       and segid DNA3 )
       ( resid 24  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 16  and name HB*      and segid DNA3 )
       ( resid 25  and name HD*      and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 16  and name HB*       and segid DNA3 )
       ( resid 50  and name HD1       and segid DNA3 ) 3.5 3.5 0.0 ! increased DN 

assign ( resid 16  and name HB*       and segid DNA3 )
       ( resid 50  and name HE1       and segid DNA3 ) 5.0 5.0 0.0 !



!*******************************************************************************




assign ( resid 17  and name HA*      and segid DNA3 )
       ( resid 17  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 17  and name HN       and segid DNA3 )
       ( resid 18  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 17  and name HA*      and segid DNA3 )
       ( resid 18  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !



!*******************************************************************************




assign ( resid 18  and name HN       and segid DNA3 )
       ( resid 18  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 18  and name HN       and segid DNA3 )
       ( resid 18  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 18  and name HN       and segid DNA3 )
       ( resid 19  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 18  and name HA       and segid DNA3 )
       ( resid 19  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 18  and name HN       and segid DNA3 )
       ( resid 25  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 18  and name HA       and segid DNA3 )
       ( resid 25  and name HD*      and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 18  and name HA       and segid DNA3 )
       ( resid 51  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 18  and name HN       and segid DNA3 )
       ( resid 52  and name HE1      and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 18  and name HB*      and segid DNA3 )
       ( resid 52  and name HE1      and segid DNA3 ) 2.9 2.9 0.0 !



!*******************************************************************************




assign ( resid 19  and name HN       and segid DNA3 )
       ( resid 19  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 19  and name HN       and segid DNA3 )
       ( resid 19  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 19  and name HN       and segid DNA3 )
       ( resid 19  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 19  and name HN       and segid DNA3 )
       ( resid 20  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 19  and name HA       and segid DNA3 )
       ( resid 20  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 19  and name HN       and segid DNA3 )
       ( resid 51  and name HA       and segid DNA3 ) 3.5 3.5 0.0 !




!*******************************************************************************




assign ( resid 20  and name HN       and segid DNA3 )
       ( resid 20  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 20  and name HN       and segid DNA3 )
       ( resid 20  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 20  and name HN       and segid DNA3 )
       ( resid 20  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 20  and name HN       and segid DNA3 )
       ( resid 20  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 20  and name HN       and segid DNA3 )
       ( resid 20  and name HE*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 20  and name HN       and segid DNA3 )
       ( resid 21  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 20  and name HB*      and segid DNA3 )
       ( resid 21  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 20  and name HB*      and segid DNA3 )
       ( resid 51  and name HD*      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 20  and name HB*      and segid DNA3 )
       ( resid 51  and name HE*      and segid DNA3 ) 3.5 3.5 0.0 ! 




!*******************************************************************************




assign ( resid 21  and name HA       and segid DNA3 )
       ( resid 21  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 21  and name HB*      and segid DNA3 )
       ( resid 21  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 21  and name HN       and segid DNA3 )
       ( resid 22  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 21  and name HA       and segid DNA3 )
       ( resid 22  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 22  and name HN       and segid DNA3 )
       ( resid 22  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 22  and name HN       and segid DNA3 )
       ( resid 22  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 22  and name HN       and segid DNA3 )
       ( resid 23  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 22  and name HA       and segid DNA3 )
       ( resid 23  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !  




!*******************************************************************************




assign ( resid 23  and name HN       and segid DNA3 )
       ( resid 23  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 23  and name HN       and segid DNA3 )
       ( resid 23  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 23  and name HN       and segid DNA3 )
       ( resid 23  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 23  and name HN       and segid DNA3 )
       ( resid 24  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 23  and name HA       and segid DNA3 )
       ( resid 24  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 23  and name HB*      and segid DNA3 )
       ( resid 24  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 23  and name HA       and segid DNA3 )
       ( resid 52  and name HE1      and segid DNA3 ) 5.0 5.0 0.0 ! increased DN 

assign ( resid 23  and name HB*      and segid DNA3 )
       ( resid 52  and name HE1      and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 23  and name HG*      and segid DNA3 )
       ( resid 52  and name HE1      and segid DNA3 ) 2.9 2.9 0.0 !



!*******************************************************************************




assign ( resid 24  and name HN       and segid DNA3 )
       ( resid 24  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 24  and name HN       and segid DNA3 )
       ( resid 24  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 24  and name HN       and segid DNA3 )
       ( resid 24  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 24  and name HN       and segid DNA3 )
       ( resid 24  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 24  and name HN       and segid DNA3 )
       ( resid 24  and name HE*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 24  and name HN       and segid DNA3 )
       ( resid 25  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 24  and name HA       and segid DNA3 )
       ( resid 25  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 24  and name HB*      and segid DNA3 )
       ( resid 25  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 24  and name HN        and segid DNA3 )
       ( resid 52  and name HE1       and segid DNA3 ) 2.9 2.9 0.0 ! 



!*******************************************************************************




assign ( resid 25  and name HN       and segid DNA3 )
       ( resid 25  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 25  and name HN       and segid DNA3 )
       ( resid 25  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 25  and name HN       and segid DNA3 )
       ( resid 26  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 25  and name HA       and segid DNA3 )
       ( resid 26  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 25  and name HB*      and segid DNA3 )
       ( resid 26  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 25  and name HG2*     and segid DNA3 )
       ( resid 26  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 25  and name HD*      and segid DNA3 )
       ( resid 50  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 25  and name HD*      and segid DNA3 )
       ( resid 50  and name HD1      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 25  and name HD*      and segid DNA3 )
       ( resid 50  and name HE3      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 25  and name HD*      and segid DNA3 )
       ( resid 51  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 25  and name HD*      and segid DNA3 )
       ( resid 51  and name HA       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 25  and name HA      and segid DNA3 )
       ( resid 52  and name HD2     and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 25  and name HA      and segid DNA3 )
       ( resid 52  and name HE1     and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 25  and name HG1*     and segid DNA3 )
       ( resid 52  and name HD2      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 25  and name HG2*     and segid DNA3 )
       ( resid 52  and name HD2      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 25  and name HG1*     and segid DNA3 )
       ( resid 52  and name HE1      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 25  and name HG2*     and segid DNA3 )
       ( resid 52  and name HE1      and segid DNA3 ) 5.0 5.0 0.0 !


!*******************************************************************************




assign ( resid 26  and name HN       and segid DNA3 )
       ( resid 26  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 26  and name HN       and segid DNA3 )
       ( resid 26  and name HB       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 26  and name HN       and segid DNA3 )
       ( resid 27  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 26  and name HA       and segid DNA3 )
       ( resid 27  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 26  and name HB       and segid DNA3 )
       ( resid 27  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 27  and name HN       and segid DNA3 )
       ( resid 27  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 27  and name HN       and segid DNA3 )
       ( resid 27  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 27  and name HN       and segid DNA3 )
       ( resid 27  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 27  and name HN       and segid DNA3 )
       ( resid 27  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 27  and name HN       and segid DNA3 )
       ( resid 28  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 27  and name HA       and segid DNA3 )
       ( resid 28  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 27  and name HB*      and segid DNA3 )
       ( resid 28  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 28  and name HN       and segid DNA3 )
       ( resid 28  and name HA*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 28  and name HN       and segid DNA3 )
       ( resid 29  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 28  and name HA*      and segid DNA3 )
       ( resid 29  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 29  and name HN       and segid DNA3 )
       ( resid 29  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 29  and name HN       and segid DNA3 )
       ( resid 29  and name HB       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 29  and name HN       and segid DNA3 )
       ( resid 29  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 29  and name HA       and segid DNA3 )
       ( resid 30  and name HN       and segid DNA3 ) 2.3 2.3 0.0 ! 

assign ( resid 29  and name HB       and segid DNA3 )
       ( resid 30  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 29  and name HG2*     and segid DNA3 )
       ( resid 30  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 29  and name HG2*     and segid DNA3 )
       ( resid 52  and name HD2      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 29  and name HG2*     and segid DNA3 )
       ( resid 52  and name HE1      and segid DNA3 ) 5.0 5.0 0.0 ! 



!*******************************************************************************




assign ( resid 30  and name HA       and segid DNA3 )
       ( resid 30  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 30  and name HB*      and segid DNA3 )
       ( resid 30  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 30  and name HA       and segid DNA3 )
       ( resid 31  and name HN       and segid DNA3 )  2.3 2.3 0.0 !

assign ( resid 30  and name HB*      and segid DNA3 )
       ( resid 31  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 30  and name HN       and segid DNA3 )
       ( resid 53  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 30  and name HA       and segid DNA3 )
       ( resid 53  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 30  and name HB*      and segid DNA3 )
       ( resid 53  and name HD*      and segid DNA3 ) 3.5 3.5 0.0 ! 



!*******************************************************************************




assign ( resid 31  and name HN       and segid DNA3 )
       ( resid 31  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 31  and name HN       and segid DNA3 )
       ( resid 31  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 31  and name HN       and segid DNA3 )
       ( resid 31  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 31  and name HN       and segid DNA3 )
       ( resid 31  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 31  and name HA       and segid DNA3 )
       ( resid 32  and name HN       and segid DNA3 ) 2.3 2.3 0.0 ! 




!*******************************************************************************




assign ( resid 32  and name HN       and segid DNA3 )
       ( resid 32  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 32  and name HN       and segid DNA3 )
       ( resid 32  and name HB       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 32  and name HB       and segid DNA3 )
       ( resid 32  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 32  and name HB       and segid DNA3 )
       ( resid 32  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 32  and name HD*      and segid DNA3 )
       ( resid 32  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 32  and name HA       and segid DNA3 )
       ( resid 33  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 32  and name HB       and segid DNA3 )
       ( resid 33  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 32  and name HG2*     and segid DNA3 )
       ( resid 33  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 32  and name HB       and segid DNA3 )
       ( resid 51  and name HD*      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 32  and name HB       and segid DNA3 )
       ( resid 51  and name HE*      and segid DNA3 ) 5.0 5.0 0.0 ! increased DN 

assign ( resid 32  and name HD*      and segid DNA3 )
       ( resid 56  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 32  and name HD*      and segid DNA3 )
       ( resid 57  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 32  and name HD*      and segid DNA3 )
       ( resid 57  and name HE*      and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 32  and name HG2*     and segid DNA3 )
       ( resid 70  and name HD*      and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 32  and name HD*      and segid DNA3 )
       ( resid 70  and name HD*      and segid DNA3 ) 3.5 3.5 0.0 ! 



!*******************************************************************************




assign ( resid 33  and name HN       and segid DNA3 )
       ( resid 33  and name HA*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 33  and name HA*      and segid DNA3 )
       ( resid 34  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 33  and name HN       and segid DNA3 )
       ( resid 50  and name HE3      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 33  and name HN       and segid DNA3 )
       ( resid 50  and name HZ3      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 33  and name HA*      and segid DNA3 )
       ( resid 50  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 33  and name HA*      and segid DNA3 )
       ( resid 50  and name HE3      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 33  and name HA*      and segid DNA3 )
       ( resid 50  and name HH2      and segid DNA3 ) 5.0 5.0 0.0 !





!*******************************************************************************




assign ( resid 34  and name HN       and segid DNA3 )
       ( resid 34  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 34  and name HN       and segid DNA3 )
       ( resid 34  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 34  and name HN       and segid DNA3 )
       ( resid 34  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 34  and name HA       and segid DNA3 )
       ( resid 35  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 34  and name HB*      and segid DNA3 )
       ( resid 35  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 34  and name HN       and segid DNA3 )
       ( resid 48  and name HA       and segid DNA3 ) 3.5 3.5 0.0 ! increased DN 

assign ( resid 34  and name HN       and segid DNA3 )
       ( resid 49  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 34  and name HA       and segid DNA3 )
       ( resid 51  and name HE*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 34  and name HB*      and segid DNA3 )
       ( resid 51  and name HE*      and segid DNA3 ) 3.5 3.5 0.0 ! 




!*******************************************************************************




assign ( resid 35  and name HN       and segid DNA3 )
       ( resid 35  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 35  and name HN       and segid DNA3 )
       ( resid 35  and name HB       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 35  and name HN       and segid DNA3 )
       ( resid 36  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 35  and name HA       and segid DNA3 )
       ( resid 36  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 35  and name HA       and segid DNA3 )
       ( resid 48  and name HA       and segid DNA3 ) 2.9 2.9 0.0 ! increased DN 

assign ( resid 35  and name HA       and segid DNA3 )
       ( resid 49  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 35  and name HG2*     and segid DNA3 )
       ( resid 49  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 36  and name HN       and segid DNA3 )
       ( resid 36  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 36  and name HN       and segid DNA3 )
       ( resid 36  and name HB       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 36  and name HN       and segid DNA3 )
       ( resid 46  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 36  and name HN       and segid DNA3 )
       ( resid 47  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 



!*******************************************************************************



assign ( resid 37  and name HA       and segid DNA3 )
       ( resid 38  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 37  and name HA       and segid DNA3 )
       ( resid 46  and name HA       and segid DNA3 ) 2.3 2.3 0.0 !



!*******************************************************************************




assign ( resid 38  and name HN       and segid DNA3 )
       ( resid 38  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 38  and name HN       and segid DNA3 )
       ( resid 38  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 38  and name HB*      and segid DNA3 )
       ( resid 41  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 



!*******************************************************************************




assign ( resid 40  and name HN       and segid DNA3 )
       ( resid 40  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 40  and name HN       and segid DNA3 )
       ( resid 40  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 40  and name HB*      and segid DNA3 )
       ( resid 40  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 40  and name HN       and segid DNA3 )
       ( resid 41  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 40  and name HA       and segid DNA3 )
       ( resid 41  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 40  and name HB*      and segid DNA3 )
       ( resid 41  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 40  and name HE*      and segid DNA3 )
       ( resid 41  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 41  and name HN       and segid DNA3 )
       ( resid 41  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 41  and name HN       and segid DNA3 )
       ( resid 41  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 43  and name HN       and segid DNA3 )
       ( resid 43  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 43  and name HN       and segid DNA3 )
       ( resid 43  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 43  and name HA       and segid DNA3 )
       ( resid 44  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 43  and name HB*      and segid DNA3 )
       ( resid 44  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 44  and name HN       and segid DNA3 )
       ( resid 44  and name HA*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 44  and name HN       and segid DNA3 )
       ( resid 45  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 45  and name HN       and segid DNA3 )
       ( resid 45  and name HA*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 45  and name HN       and segid DNA3 )
       ( resid 46  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 46  and name HN       and segid DNA3 )
       ( resid 46  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 46  and name HN       and segid DNA3 )
       ( resid 46  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 46  and name HN       and segid DNA3 )
       ( resid 47  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 46  and name HA       and segid DNA3 )
       ( resid 47  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !  

assign ( resid 46  and name HB*      and segid DNA3 )
       ( resid 47  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 47  and name HN       and segid DNA3 )
       ( resid 47  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 47  and name HN       and segid DNA3 )
       ( resid 47  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 47  and name HA       and segid DNA3 )
       ( resid 48  and name HN       and segid DNA3 ) 2.3 2.3 0.0 ! 

assign ( resid 47  and name HN       and segid DNA3 )
       ( resid 48  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 48  and name HN       and segid DNA3 )
       ( resid 48  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 48  and name HN       and segid DNA3 )
       ( resid 48  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 48  and name HN       and segid DNA3 )
       ( resid 48  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 48  and name HA       and segid DNA3 )
       ( resid 49  and name HN       and segid DNA3 ) 2.3 2.3 0.0 !

assign ( resid 48  and name HB*      and segid DNA3 )
       ( resid 49  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 48  and name HD*      and segid DNA3 )
       ( resid 50  and name HH2      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 48  and name HD*      and segid DNA3 )
       ( resid 50  and name HZ2      and segid DNA3 ) 2.9 2.9 0.0 ! 





!*******************************************************************************




assign ( resid 49  and name HN       and segid DNA3 )
       ( resid 49  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 49  and name HN       and segid DNA3 )
       ( resid 49  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 49  and name HN       and segid DNA3 )
       ( resid 49  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 49  and name HN       and segid DNA3 )
       ( resid 50  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 49  and name HA       and segid DNA3 )
       ( resid 50  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 49  and name HB*      and segid DNA3 )
       ( resid 50  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 49  and name HN       and segid DNA3 )
       ( resid 51  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 49  and name HN       and segid DNA3 )
       ( resid 51  and name HE*      and segid DNA3 ) 3.5 3.5 0.0 !


!*******************************************************************************




assign ( resid 50  and name HN       and segid DNA3 )
       ( resid 50  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 50  and name HN       and segid DNA3 )
       ( resid 50  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 50  and name HA       and segid DNA3 )
       ( resid 50  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 50  and name HB*      and segid DNA3 )
       ( resid 50  and name HE3      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 50  and name HN       and segid DNA3 )
       ( resid 51  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 50  and name HA       and segid DNA3 )
       ( resid 51  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 50  and name HA       and segid DNA3 )
       ( resid 51  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 50  and name HA       and segid DNA3 )
       ( resid 51  and name HE*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 50  and name HB*      and segid DNA3 )
       ( resid 51  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 50  and name HE3      and segid DNA3 )
       ( resid 51  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 



!*******************************************************************************




assign ( resid 51  and name HN       and segid DNA3 )
       ( resid 51  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 51  and name HN       and segid DNA3 )
       ( resid 51  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 51  and name HA       and segid DNA3 )
       ( resid 51  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 51  and name HB*      and segid DNA3 )
       ( resid 51  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 51  and name HN       and segid DNA3 )
       ( resid 52  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 51  and name HA       and segid DNA3 )
       ( resid 52  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 51  and name HB*      and segid DNA3 )
       ( resid 52  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 51  and name HD*      and segid DNA3 )
       ( resid 52  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 51  and name HD*      and segid DNA3 )
       ( resid 52  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 51  and name HD*      and segid DNA3 )
       ( resid 56  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 51  and name HE*      and segid DNA3 )
       ( resid 56  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !


!*******************************************************************************




assign ( resid 52  and name HN       and segid DNA3 )
       ( resid 52  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 52  and name HN       and segid DNA3 )
       ( resid 52  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 52  and name HA       and segid DNA3 )
       ( resid 52  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 52  and name HB*      and segid DNA3 )
       ( resid 52  and name HD2      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 52  and name HN       and segid DNA3 )
       ( resid 53  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 52  and name HB*      and segid DNA3 )
       ( resid 53  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 52  and name HD2      and segid DNA3 )
       ( resid 53  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !



!*******************************************************************************




assign ( resid 53  and name HN       and segid DNA3 )
       ( resid 53  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 53  and name HN       and segid DNA3 )
       ( resid 54  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 53  and name HD*      and segid DNA3 )
       ( resid 54  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 53  and name HD*       and segid DNA3 )
       ( resid 57  and name HD*       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 53  and name HD*       and segid DNA3 )
       ( resid 57  and name HE*       and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 53  and name HG2*      and segid DNA3 )
       ( resid 57  and name HD*       and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 53  and name HG2*      and segid DNA3 )
       ( resid 57  and name HE*       and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 53  and name HD*       and segid DNA3 )
       ( resid 93  and name HD2       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 53  and name HD*       and segid DNA3 )
       ( resid 93  and name HE1       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 53  and name HG2*      and segid DNA3 )
       ( resid 93  and name HD2       and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 53  and name HG2*      and segid DNA3 )
       ( resid 93  and name HE1       and segid DNA3 ) 5.0 5.0 0.0 ! 



!*******************************************************************************




assign ( resid 54  and name HN       and segid DNA3 )
       ( resid 54  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 54  and name HN       and segid DNA3 )
       ( resid 54  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 54  and name HN       and segid DNA3 )
       ( resid 55  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 54  and name HA       and segid DNA3 )
       ( resid 55  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 54  and name HA       and segid DNA3 )
       ( resid 57  and name HN       and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 54  and name HN       and segid DNA3 )
       ( resid 93  and name HE1      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 54  and name HA       and segid DNA3 )
       ( resid 93  and name HE1      and segid DNA3 ) 2.9 2.9 0.0 !  


!*******************************************************************************




assign ( resid 55  and name HN       and segid DNA3 )
       ( resid 55  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 55  and name HN       and segid DNA3 )
       ( resid 55  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 55  and name HN       and segid DNA3 )
       ( resid 56  and name HN       and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 55  and name HA       and segid DNA3 )
       ( resid 56  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 55  and name HA       and segid DNA3 )
       ( resid 58  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 55  and name HA       and segid DNA3 )
       ( resid 58  and name HB*      and segid DNA3 ) 2.9 2.9 0.0 !



!*******************************************************************************




assign ( resid 56  and name HN       and segid DNA3 )
       ( resid 56  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 56  and name HN       and segid DNA3 )
       ( resid 56  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 56  and name HN       and segid DNA3 )
       ( resid 57  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 56  and name HA       and segid DNA3 )
       ( resid 57  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 56  and name HA       and segid DNA3 )
       ( resid 59  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !



!*******************************************************************************




assign ( resid 57  and name HN       and segid DNA3 )
       ( resid 57  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HN       and segid DNA3 )
       ( resid 57  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HN       and segid DNA3 )
       ( resid 58  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 57  and name HA       and segid DNA3 )
       ( resid 58  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 57  and name HA       and segid DNA3 )
       ( resid 60  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 57  and name HA       and segid DNA3 )
       ( resid 60  and name HD2*     and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 57  and name HA       and segid DNA3 )
       ( resid 60  and name HB*      and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 57  and name HD*      and segid DNA3 )
       ( resid 60  and name HD2*     and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 57  and name HE*      and segid DNA3 )
       ( resid 60  and name HD2*     and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 57  and name HD*      and segid DNA3 )
       ( resid 70  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 57  and name HD*      and segid DNA3 )
       ( resid 70  and name HG2*     and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 57  and name HE*      and segid DNA3 )
       ( resid 70  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 57  and name HZ       and segid DNA3 )
       ( resid 70  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 57  and name HZ       and segid DNA3 )
       ( resid 70  and name HG2*     and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 57  and name HN       and segid DNA3 )
       ( resid 93  and name HE1      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HD*      and segid DNA3 )
       ( resid 93  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HD*      and segid DNA3 )
       ( resid 93  and name HE1      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HD*      and segid DNA3 )
       ( resid 94  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HD*      and segid DNA3 )
       ( resid 94  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HE*      and segid DNA3 )
       ( resid 94  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HE*      and segid DNA3 )
       ( resid 94  and name HA       and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 57  and name HE*      and segid DNA3 )
       ( resid 94  and name HD*      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 57  and name HE*      and segid DNA3 )
       ( resid 94  and name HG2*     and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HZ       and segid DNA3 )
       ( resid 94  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HZ       and segid DNA3 )
       ( resid 94  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HZ       and segid DNA3 )
       ( resid 94  and name HD*      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 57  and name HZ       and segid DNA3 )
       ( resid 94  and name HG2*     and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HA        and segid DNA3 )
       ( resid 97  and name HD2*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HD*      and segid DNA3 )
       ( resid 97  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HD*      and segid DNA3 )
       ( resid 97  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HD*      and segid DNA3 )
       ( resid 97  and name HD2*     and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 57  and name HE*      and segid DNA3 )
       ( resid 97  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 57  and name HE*      and segid DNA3 )
       ( resid 97  and name HD2*     and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 57  and name HZ       and segid DNA3 )
       ( resid 97  and name HD2*     and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 58  and name HN       and segid DNA3 )
       ( resid 58  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 58  and name HN       and segid DNA3 )
       ( resid 58  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 58  and name HN       and segid DNA3 )
       ( resid 59  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 58  and name HA       and segid DNA3 )
       ( resid 59  and name HN       and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 58  and name HA       and segid DNA3 )
       ( resid 61  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 58  and name HA       and segid DNA3 )
       ( resid 61  and name HB*      and segid DNA3 ) 2.9 2.9 0.0 !




!*******************************************************************************




assign ( resid 59  and name HN       and segid DNA3 )
       ( resid 59  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 59  and name HN       and segid DNA3 )
       ( resid 59  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 59  and name HN       and segid DNA3 )
       ( resid 60  and name HN       and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 59  and name HA       and segid DNA3 )
       ( resid 60  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 59  and name HA       and segid DNA3 )
       ( resid 62  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 59  and name HA       and segid DNA3 )
       ( resid 62  and name HB*      and segid DNA3 ) 2.9 2.9 0.0 !



!*******************************************************************************




assign ( resid 60  and name HN       and segid DNA3 )
       ( resid 60  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 60  and name HN       and segid DNA3 )
       ( resid 60  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 60  and name HN       and segid DNA3 )
       ( resid 61  and name HN       and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 60  and name HA       and segid DNA3 )
       ( resid 63  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 60  and name HA       and segid DNA3 )
       ( resid 63  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 60  and name HD2*     and segid DNA3 )
       ( resid 70  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 60  and name HD2*     and segid DNA3 )
       ( resid 97  and name HD2*     and segid DNA3 ) 5.0 5.0 0.0 ! 

!*******************************************************************************




assign ( resid 61  and name HN       and segid DNA3 )
       ( resid 61  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 61  and name HN       and segid DNA3 )
       ( resid 61  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 61  and name HN       and segid DNA3 )
       ( resid 62  and name HN       and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 61  and name HA       and segid DNA3 )
       ( resid 62  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !




!*******************************************************************************




assign ( resid 62  and name HN       and segid DNA3 )
       ( resid 62  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 62  and name HN       and segid DNA3 )
       ( resid 62  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 62  and name HN       and segid DNA3 )
       ( resid 63  and name HN       and segid DNA3 ) 2.9 2.9 0.0 ! 




!*******************************************************************************




assign ( resid 63  and name HN       and segid DNA3 )
       ( resid 63  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 63  and name HN       and segid DNA3 )
       ( resid 63  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 63  and name HN       and segid DNA3 )
       ( resid 64  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 63  and name HA       and segid DNA3 )
       ( resid 64  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 63  and name HB*      and segid DNA3 )
       ( resid 64  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 64  and name HN       and segid DNA3 )
       ( resid 64  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 64  and name HN       and segid DNA3 )
       ( resid 64  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 



!*******************************************************************************




assign ( resid 65  and name HN       and segid DNA3 )
       ( resid 65  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 65  and name HN       and segid DNA3 )
       ( resid 65  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assig  ( resid 66  and name HN       and segid DNA3 )
       ( resid 66  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 66  and name HA       and segid DNA3 )
       ( resid 66  and name HB       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 67  and name HN       and segid DNA3 )
       ( resid 67  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 67  and name HN       and segid DNA3 )
       ( resid 67  and name HB       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 67  and name HN       and segid DNA3 )
       ( resid 68  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 67  and name HB       and segid DNA3 )
       ( resid 68  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 68  and name HN       and segid DNA3 )
       ( resid 68  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 68  and name HN       and segid DNA3 )
       ( resid 68  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 68  and name HA       and segid DNA3 )
       ( resid 69  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 68  and name HB*      and segid DNA3 )
       ( resid 69  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 69  and name HN       and segid DNA3 )
       ( resid 69  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 69  and name HN       and segid DNA3 )
       ( resid 69  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 69  and name HA       and segid DNA3 )
       ( resid 70  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 69  and name HB*      and segid DNA3 )
       ( resid 70  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 70  and name HN       and segid DNA3 )
       ( resid 70  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 70  and name HN       and segid DNA3 )
       ( resid 70  and name HB       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 70  and name HA       and segid DNA3 )
       ( resid 71  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 70  and name HD*       and segid DNA3 )
       ( resid 76  and name HD1*      and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 70  and name HG2*      and segid DNA3 )
       ( resid 76  and name HD2*      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 70  and name HD*       and segid DNA3 )
       ( resid 94  and name HD*       and segid DNA3 ) 5.0 5.0 0.0 !


!*******************************************************************************




assign ( resid 71  and name HN       and segid DNA3 )
       ( resid 71  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 71  and name HN       and segid DNA3 )
       ( resid 71  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 71  and name HN       and segid DNA3 )
       ( resid 72  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 71  and name HA       and segid DNA3 )
       ( resid 72  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 71  and name HB*      and segid DNA3 )
       ( resid 72  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 72  and name HN       and segid DNA3 )
       ( resid 72  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 72  and name HN       and segid DNA3 )
       ( resid 72  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 72  and name HN       and segid DNA3 )
       ( resid 73  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 72  and name HA       and segid DNA3 )
       ( resid 73  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 72  and name HA       and segid DNA3 )
       ( resid 73  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 72  and name HA       and segid DNA3 )
       ( resid 73  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 72  and name HB*      and segid DNA3 )
       ( resid 73  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 72  and name HN       and segid DNA3 )
       ( resid 94  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 72  and name HN       and segid DNA3 )
       ( resid 94  and name HG2*     and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 72  and name HA       and segid DNA3 )
       ( resid 94  and name HD*      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 72  and name HA       and segid DNA3 )
       ( resid 94  and name HG2*     and segid DNA3 ) 3.5 3.5 0.0 ! 



!*******************************************************************************




assign ( resid 73  and name HN       and segid DNA3 )
       ( resid 73  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 73  and name HN       and segid DNA3 )
       ( resid 73  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 73  and name HN       and segid DNA3 )
       ( resid 74  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 73  and name HB*       and segid DNA3 )
       ( resid 74  and name HG2*     and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 73  and name HG       and segid DNA3 )
       ( resid 74  and name HG2*     and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 73  and name HD1*     and segid DNA3 )
       ( resid 74  and name HG2*     and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 73  and name HN       and segid DNA3 )
       ( resid 94  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 73  and name HN       and segid DNA3 )
       ( resid 94  and name HG2*     and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 73  and name HA       and segid DNA3 )
       ( resid 94  and name HD*      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 73  and name HB*      and segid DNA3 )
       ( resid 94  and name HD*      and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 73  and name HD1*     and segid DNA3 )
       ( resid 94  and name HD*      and segid DNA3 ) 3.5 3.5 0.0 ! 


!*******************************************************************************




assign ( resid 74  and name HN       and segid DNA3 )
       ( resid 75  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 74  and name HA       and segid DNA3 )
       ( resid 79  and name HD1      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 74  and name HA       and segid DNA3 )
       ( resid 79  and name HE1      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 74  and name HG2*     and segid DNA3 )
       ( resid 79  and name HD1      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 74  and name HG2*     and segid DNA3 )
       ( resid 79  and name HE1      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 74  and name HG2*     and segid DNA3 )
       ( resid 79  and name HH2      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 74  and name HG2*     and segid DNA3 )
       ( resid 79  and name HZ2      and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 74  and name HG2*     and segid DNA3 )
       ( resid 79  and name HZ3      and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 75  and name HN       and segid DNA3 )
       ( resid 75  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 75  and name HN       and segid DNA3 )
       ( resid 75  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 75  and name HN       and segid DNA3 )
       ( resid 76  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 75  and name HB*      and segid DNA3 )
       ( resid 76  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 76  and name HN       and segid DNA3 )
       ( resid 76  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 76  and name HN       and segid DNA3 )
       ( resid 76  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 76  and name HN       and segid DNA3 )
       ( resid 77  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 76  and name HA       and segid DNA3 )
       ( resid 77  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 76  and name HB*      and segid DNA3 )
       ( resid 77  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 77  and name HN       and segid DNA3 )
       ( resid 77  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 77  and name HN       and segid DNA3 )
       ( resid 77  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 77  and name HN       and segid DNA3 )
       ( resid 78  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 77  and name HA       and segid DNA3 )
       ( resid 78  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 77  and name HA        and segid DNA3 )
       ( resid 79  and name HD1       and segid DNA3 ) 5.0 5.0 0.0 ! 



!*******************************************************************************




assign ( resid 78  and name HN       and segid DNA3 )
       ( resid 78  and name HA*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 78  and name HN       and segid DNA3 )
       ( resid 79  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 78  and name HN       and segid DNA3 )
       ( resid 79  and name HD1      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 78  and name HA*      and segid DNA3 )
       ( resid 81  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 79  and name HN       and segid DNA3 )
       ( resid 79  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 79  and name HN       and segid DNA3 )
       ( resid 79  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 79  and name HA       and segid DNA3 )
       ( resid 79  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 79  and name HA       and segid DNA3 )
       ( resid 80  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 79  and name HN       and segid DNA3 )
       ( resid 80  and name HN       and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 79  and name HA       and segid DNA3 )
       ( resid 80  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 79  and name HB*      and segid DNA3 )
       ( resid 80  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 79  and name HH2      and segid DNA3 )
       ( resid 80  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 79  and name HH2      and segid DNA3 )
       ( resid 80  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 79  and name HH2      and segid DNA3 )
       ( resid 80  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 79  and name HZ3      and segid DNA3 )
       ( resid 80  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 79  and name HZ3      and segid DNA3 )
       ( resid 80  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 79  and name HZ3      and segid DNA3 )
       ( resid 80  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 79  and name HA       and segid DNA3 )
       ( resid 82  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !C

assign ( resid 79  and name HA       and segid DNA3 )
       ( resid 82  and name HG*      and segid DNA3 ) 5.0 5.0 0.0 !C

assign ( resid 79  and name HA       and segid DNA3 )
       ( resid 82  and name HD1*     and segid DNA3 ) 5.0 5.0 0.0 !C



!*******************************************************************************




assign ( resid 80  and name HN       and segid DNA3 )
       ( resid 80  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 80  and name HN       and segid DNA3 )
       ( resid 80  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 80  and name HN       and segid DNA3 )
       ( resid 81  and name HN       and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 80  and name HA       and segid DNA3 )
       ( resid 81  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 80  and name HB*      and segid DNA3 )
       ( resid 81  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 81  and name HN       and segid DNA3 )
       ( resid 81  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 81  and name HN       and segid DNA3 )
       ( resid 81  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 81  and name HN       and segid DNA3 )
       ( resid 82  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 81  and name HA       and segid DNA3 )
       ( resid 82  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 81  and name HB*      and segid DNA3 )
       ( resid 82  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 82  and name HN       and segid DNA3 )
       ( resid 82  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 82  and name HN       and segid DNA3 )
       ( resid 82  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 82  and name HN       and segid DNA3 )
       ( resid 83  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 82  and name HA       and segid DNA3 )
       ( resid 83  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 82  and name HB*      and segid DNA3 )
       ( resid 83  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 83  and name HN       and segid DNA3 )
       ( resid 83  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 83  and name HN       and segid DNA3 )
       ( resid 83  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 83  and name HN       and segid DNA3 )
       ( resid 84  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 83  and name HA       and segid DNA3 )
       ( resid 83  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 83  and name HB*      and segid DNA3 )
       ( resid 84  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 83  and name HA       and segid DNA3 )
       ( resid 86  and name HB*      and segid DNA3 ) 5.0 5.0  0.0 ! 



!*******************************************************************************




assign ( resid 84  and name HN       and segid DNA3 )
       ( resid 84  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 84  and name HN       and segid DNA3 )
       ( resid 84  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 84  and name HN       and segid DNA3 )
       ( resid 85  and name HN       and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 84  and name HA       and segid DNA3 )
       ( resid 85  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 84  and name HA       and segid DNA3 )
       ( resid 87  and name HN       and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 84  and name HA       and segid DNA3 )
       ( resid 87  and name HB*      and segid DNA3 ) 2.9 2.9 0.0 !  



!*******************************************************************************




assign ( resid 85  and name HN       and segid DNA3 )
       ( resid 85  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 85  and name HN       and segid DNA3 )
       ( resid 85  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 85  and name HN       and segid DNA3 )
       ( resid 86  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 85  and name HA       and segid DNA3 )
       ( resid 86  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 85  and name HA       and segid DNA3 )
       ( resid 88  and name HN       and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 85  and name HA       and segid DNA3 )
       ( resid 88  and name HB*      and segid DNA3 ) 2.9 2.9 0.0 ! 



!*******************************************************************************




assign ( resid 86  and name HN       and segid DNA3 )
       ( resid 86  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 86  and name HN       and segid DNA3 )
       ( resid 86  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 86  and name HN       and segid DNA3 )
       ( resid 87  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 86  and name HA       and segid DNA3 )
       ( resid 87  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 86  and name HA       and segid DNA3 )
       ( resid 89  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 86  and name HA       and segid DNA3 )
       ( resid 89  and name HB*      and segid DNA3 ) 2.9 2.9 0.0 ! 



!*******************************************************************************




assign ( resid 87  and name HN       and segid DNA3 )
       ( resid 87  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 87  and name HN       and segid DNA3 )
       ( resid 87  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 87  and name HN       and segid DNA3 )
       ( resid 88  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 87  and name HA       and segid DNA3 )
       ( resid 88  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 87  and name HA       and segid DNA3 )
       ( resid 90  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !




!*******************************************************************************




assign ( resid 88  and name HN       and segid DNA3 )
       ( resid 88  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 88  and name HN       and segid DNA3 )
       ( resid 88  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 88  and name HN       and segid DNA3 )
       ( resid 89  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 88  and name HA       and segid DNA3 )
       ( resid 91  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 88  and name HA       and segid DNA3 )
       ( resid 91  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 !



!*******************************************************************************




assign ( resid 89  and name HN       and segid DNA3 )
       ( resid 89  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 89  and name HN       and segid DNA3 )
       ( resid 89  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 89  and name HN       and segid DNA3 )
       ( resid 90  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 89  and name HA       and segid DNA3 )
       ( resid 90  and name HN       and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 89  and name HA       and segid DNA3 )
       ( resid 92  and name HN       and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 89  and name HA       and segid DNA3 )
       ( resid 92  and name HB*      and segid DNA3 ) 2.9 2.9 0.0 !



!*******************************************************************************




assign ( resid 90  and name HN       and segid DNA3 )
       ( resid 90  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 90  and name HN       and segid DNA3 )
       ( resid 90  and name HB       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 90  and name HN       and segid DNA3 )
       ( resid 91  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 90  and name HA       and segid DNA3 )
       ( resid 93  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 90  and name HA       and segid DNA3 )
       ( resid 93  and name HB*      and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 90  and name HA       and segid DNA3 )
       ( resid 93  and name HD2      and segid DNA3 ) 5.0 5.0 0.0 !27/9 


!*******************************************************************************




assign ( resid 91  and name HN       and segid DNA3 )
       ( resid 91  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 91  and name HN       and segid DNA3 )
       ( resid 91  and name HB       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 91  and name HN       and segid DNA3 )
       ( resid 92  and name HN       and segid DNA3 ) 2.9 2.9 0.0 ! 

assign ( resid 91  and name HA       and segid DNA3 )
       ( resid 92  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 91  and name HA       and segid DNA3 )
       ( resid 94  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 91  and name HB     and segid DNA3 )
       ( resid 94  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 91  and name HG2*     and segid DNA3 )
       ( resid 94  and name HD*      and segid DNA3 ) 5.0 5.0 0.0 ! 



!*******************************************************************************




assign ( resid 92  and name HN       and segid DNA3 )
       ( resid 92  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 92  and name HN       and segid DNA3 )
       ( resid 92  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 92  and name HN       and segid DNA3 )
       ( resid 93  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 92  and name HA       and segid DNA3 )
       ( resid 95  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 92  and name HA       and segid DNA3 )
       ( resid 95  and name HB*      and segid DNA3 ) 2.9 2.9 0.0 !



!*******************************************************************************




assign ( resid 93  and name HN       and segid DNA3 )
       ( resid 93  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 93  and name HN       and segid DNA3 )
       ( resid 93  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 93  and name HN       and segid DNA3 )
       ( resid 94  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 93  and name HA       and segid DNA3 )
       ( resid 96  and name HN       and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 93  and name HA       and segid DNA3 )
       ( resid 96  and name HB*      and segid DNA3 ) 2.9 2.9 0.0 !



!*******************************************************************************




assign ( resid 94  and name HN       and segid DNA3 )
       ( resid 94  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 94  and name HN       and segid DNA3 )
       ( resid 94  and name HB       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 94  and name HN       and segid DNA3 )
       ( resid 95  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 94  and name HA       and segid DNA3 )
       ( resid 95  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 94  and name HA       and segid DNA3 )
       ( resid 97  and name HN       and segid DNA3 ) 3.5 3.5 0.0 !

assign ( resid 94  and name HA       and segid DNA3 )
       ( resid 97  and name HB*      and segid DNA3 ) 2.9 2.9 0.0 !



!*******************************************************************************




assign ( resid 95  and name HN       and segid DNA3 )
       ( resid 95  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 95  and name HN       and segid DNA3 )
       ( resid 95  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 95  and name HN       and segid DNA3 )
       ( resid 96  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 95  and name HA       and segid DNA3 )
       ( resid 96  and name HN       and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 95  and name HA       and segid DNA3 )
       ( resid 98  and name HN       and segid DNA3 ) 3.5 3.5 0.0 ! 

assign ( resid 95  and name HA       and segid DNA3 )
       ( resid 98  and name HB*      and segid DNA3 ) 2.9 2.9 0.0 !


!*******************************************************************************




assign ( resid 96  and name HN       and segid DNA3 )
       ( resid 96  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 96  and name HN       and segid DNA3 )
       ( resid 96  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 96  and name HN       and segid DNA3 )
       ( resid 97  and name HN       and segid DNA3 ) 2.9 2.9 0.0 !

assign ( resid 96  and name HA       and segid DNA3 )
       ( resid 99  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 96  and name HA       and segid DNA3 )
       ( resid 99  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 !



!*******************************************************************************




assign ( resid 97  and name HN       and segid DNA3 )
       ( resid 97  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 97  and name HN       and segid DNA3 )
       ( resid 97  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 97  and name HN       and segid DNA3 )
       ( resid 98  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 97  and name HA       and segid DNA3 )
       ( resid 98  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 97  and name HB*      and segid DNA3 )
       ( resid 98  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 98  and name HN       and segid DNA3 )
       ( resid 98  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 98  and name HN       and segid DNA3 )
       ( resid 98  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 98  and name HN       and segid DNA3 )
       ( resid 99  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 98  and name HA       and segid DNA3 )
       ( resid 99  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 98  and name HB*      and segid DNA3 )
       ( resid 99  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 99  and name HN       and segid DNA3 )
       ( resid 99  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 99  and name HN       and segid DNA3 )
       ( resid 99  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 99  and name HN       and segid DNA3 )
       ( resid 100 and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 99  and name HA       and segid DNA3 )
       ( resid 100 and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 99  and name HB*      and segid DNA3 )
       ( resid 100 and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 100 and name HN       and segid DNA3 )
       ( resid 100 and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 100 and name HN       and segid DNA3 )
       ( resid 100 and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 100 and name HN       and segid DNA3 )
       ( resid 101 and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 101 and name HN       and segid DNA3 )
       ( resid 101 and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 101 and name HN       and segid DNA3 )
       ( resid 101 and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 101 and name HN       and segid DNA3 )
       ( resid 102 and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 102  and name HN       and segid DNA3 )
       ( resid 102  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 102  and name HN       and segid DNA3 )
       ( resid 102  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 102  and name HN       and segid DNA3 )
       ( resid 103  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 102  and name HA       and segid DNA3 )
       ( resid 103  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 102  and name HB*      and segid DNA3 )
       ( resid 103  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 103  and name HN       and segid DNA3 )
       ( resid 103  and name HA*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 103  and name HA*      and segid DNA3 )
       ( resid 104  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 104  and name HN       and segid DNA3 )
       ( resid 104  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 104  and name HN       and segid DNA3 )
       ( resid 104  and name HB       and segid DNA3 ) 5.0 5.0 0.0 !





!*******************************************************************************




assign ( resid 109  and name HN       and segid DNA3 )
       ( resid 109  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 109  and name HN       and segid DNA3 )
       ( resid 109  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 109  and name HN       and segid DNA3 )
       ( resid 110  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************



 
assign ( resid 110  and name HN       and segid DNA3 )
       ( resid 110  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 110  and name HN       and segid DNA3 )
       ( resid 110  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 110  and name HN       and segid DNA3 )
       ( resid 111  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 111  and name HN       and segid DNA3 )
       ( resid 111  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 111  and name HN       and segid DNA3 )
       ( resid 111  and name HB       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 111  and name HA       and segid DNA3 )
       ( resid 112  and name HN       and segid DNA3 ) 5.0 5.0 0.0 !




!*******************************************************************************




assign ( resid 112  and name HN       and segid DNA3 )
       ( resid 112  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 112  and name HN       and segid DNA3 )
       ( resid 112  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 113  and name HN       and segid DNA3 )
       ( resid 113  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 113  and name HN       and segid DNA3 )
       ( resid 113  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 114  and name HN       and segid DNA3 )
       ( resid 114  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 114  and name HN       and segid DNA3 )
       ( resid 114  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 114  and name HA       and segid DNA3 )
       ( resid 115  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 115  and name HN       and segid DNA3 )
       ( resid 115  and name HB*      and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 116  and name HN       and segid DNA3 )
       ( resid 116  and name HA       and segid DNA3 ) 5.0 5.0 0.0 !

assign ( resid 116  and name HN       and segid DNA3 )
       ( resid 116  and name HB       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 116  and name HB       and segid DNA3 )
       ( resid 117  and name HN       and segid DNA3 ) 5.0 5.0 0.0 ! 




!*******************************************************************************




assign ( resid 117  and name HN       and segid DNA3 )
       ( resid 117  and name HA       and segid DNA3 ) 5.0 5.0 0.0 ! 

assign ( resid 117  and name HN       and segid DNA3 )
       ( resid 117  and name HB       and segid DNA3 ) 5.0 5.0 0.0 !


                                               Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H        MET   1 -15.688 -16.312 -14.466
    2    H2   MET   1           HN2      MET   1 -14.807 -15.041 -15.171
    3    HA   MET   1           HA       MET   1 -14.243 -16.428 -12.603
    4   1HB   MET   1          1HB       MET   1 -13.215 -16.313 -15.394
    5   2HB   MET   1          2HB       MET   1 -11.998 -16.407 -14.120
    6   1HG   MET   1          1HG       MET   1 -14.367 -18.258 -14.069
    7   2HG   MET   1          2HG       MET   1 -12.983 -18.627 -15.098
    8   1HE   MET   1          1HE       MET   1 -14.274 -20.228 -12.611
    9   2HE   MET   1          3HE       MET   1 -13.476 -20.008 -11.048
   10   3HE   MET   1          2HE       MET   1 -14.540 -18.755 -11.681
   11    H    ALA   2           H        ALA   2 -14.451 -14.351 -11.359
   12    HA   ALA   2           HA       ALA   2 -12.244 -12.413 -11.990
   13   1HB   ALA   2          2HB       ALA   2 -15.042 -12.114 -10.887
   14   2HB   ALA   2          1HB       ALA   2 -13.836 -10.844 -10.687
   15   3HB   ALA   2          3HB       ALA   2 -14.340 -11.334 -12.304
   16    H    GLU   3           H        GLU   3 -10.658 -13.449 -10.585
   17    HA   GLU   3           HA       GLU   3 -11.401 -13.469  -7.674
   18   1HB   GLU   3          1HB       GLU   3 -10.770 -15.601  -9.143
   19   2HB   GLU   3          2HB       GLU   3  -9.127 -15.047  -8.821
   20   1HG   GLU   3          1HG       GLU   3  -9.302 -15.411  -6.538
   21   2HG   GLU   3          2HG       GLU   3 -11.053 -15.200  -6.534
   22    H    GLN   4           H        GLN   4 -10.461 -11.636  -6.730
   23    HA   GLN   4           HA       GLN   4  -7.640 -10.986  -7.532
   24   1HB   GLN   4          1HB       GLN   4  -9.987  -9.177  -6.873
   25   2HB   GLN   4          2HB       GLN   4  -8.338  -8.605  -7.127
   26   1HG   GLN   4          1HG       GLN   4  -8.374  -9.649  -9.399
   27   2HG   GLN   4          2HG       GLN   4 -10.069 -10.066  -9.142
   28   1HE2  GLN   4          1HE2      GLN   4 -11.621  -8.435  -9.631
   29   2HE2  GLN   4          2HE2      GLN   4 -11.214  -6.820  -9.956
   30    H    ARG   5           H        ARG   5  -6.229 -11.027  -5.767
   31    HA   ARG   5           HA       ARG   5  -7.451 -10.870  -3.028
   32   1HB   ARG   5          1HB       ARG   5  -5.446 -12.600  -4.363
   33   2HB   ARG   5          2HB       ARG   5  -5.037 -12.109  -2.719
   34   1HG   ARG   5          1HG       ARG   5  -6.297 -13.990  -2.252
   35   2HG   ARG   5          2HG       ARG   5  -7.577 -12.777  -2.270
   36   1HD   ARG   5          1HD       ARG   5  -8.555 -14.186  -3.793
   37   2HD   ARG   5          2HD       ARG   5  -7.415 -13.451  -4.938
   38    HE   ARG   5           HE       ARG   5  -6.100 -15.424  -4.832
   39   1HH1  ARG   5          1HH1      ARG   5  -5.477 -15.934  -2.137
   40   2HH1  ARG   5          2HH1      ARG   5  -6.487 -17.260  -1.666
   41   1HH2  ARG   5          1HH2      ARG   5  -8.695 -16.864  -4.310
   42   2HH2  ARG   5          2HH2      ARG   5  -8.309 -17.787  -2.896
   43    H    PHE   6           H        PHE   6  -6.798  -9.071  -1.838
   44    HA   PHE   6           HA       PHE   6  -4.243  -7.722  -2.663
   45   1HB   PHE   6          1HB       PHE   6  -7.015  -6.826  -2.207
   46   2HB   PHE   6          2HB       PHE   6  -5.810  -5.834  -1.387
   47    HD1  PHE   6           HD1      PHE   6  -7.349  -6.650  -4.545
   48    HD2  PHE   6           HD2      PHE   6  -3.851  -4.922  -2.752
   49    HE1  PHE   6           HE1      PHE   6  -6.795  -5.541  -6.693
   50    HE2  PHE   6           HE2      PHE   6  -3.296  -3.813  -4.896
   51    HZ   PHE   6           HZ       PHE   6  -4.768  -4.122  -6.869
   52    H    CYS   7           H        CYS   7  -2.808  -7.141  -0.956
   53    HA   CYS   7           HA       CYS   7  -3.718  -7.751   1.838
   54   1HB   CYS   7          1HB       CYS   7  -1.231  -8.626   0.343
   55   2HB   CYS   7          2HB       CYS   7  -1.377  -8.736   2.097
   56    HG   CYS   7           HG       CYS   7  -3.749 -10.065   0.777
   57    H    VAL   8           H        VAL   8  -2.410  -6.564   3.499
   58    HA   VAL   8           HA       VAL   8  -1.111  -4.103   2.365
   59    HB   VAL   8           HB       VAL   8  -2.611  -4.564   4.970
   60   1HG1  VAL   8          3HG1      VAL   8  -0.780  -2.810   4.993
   61   2HG1  VAL   8          2HG1      VAL   8  -1.682  -1.953   3.744
   62   3HG1  VAL   8          1HG1      VAL   8  -2.396  -2.193   5.338
   63   1HG2  VAL   8          3HG2      VAL   8  -4.063  -4.600   2.959
   64   2HG2  VAL   8          2HG2      VAL   8  -4.357  -3.164   3.940
   65   3HG2  VAL   8          1HG2      VAL   8  -3.400  -3.042   2.463
   66    H    ASP   9           H        ASP   9   1.096  -3.946   2.837
   67    HA   ASP   9           HA       ASP   9   2.084  -5.159   5.384
   68   1HB   ASP   9          1HB       ASP   9   2.260  -6.757   3.438
   69   2HB   ASP   9          2HB       ASP   9   3.322  -5.591   2.648
   70    H    TYR  10           H        TYR  10   4.206  -4.287   6.036
   71    HA   TYR  10           HA       TYR  10   4.695  -1.556   4.886
   72   1HB   TYR  10          1HB       TYR  10   4.434  -2.666   7.527
   73   2HB   TYR  10          2HB       TYR  10   6.071  -2.035   7.360
   74    HD1  TYR  10           HD1      TYR  10   2.913  -1.165   8.428
   75    HD2  TYR  10           HD2      TYR  10   6.051   0.311   5.892
   76    HE1  TYR  10           HE1      TYR  10   2.057   1.144   8.706
   77    HE2  TYR  10           HE2      TYR  10   5.193   2.620   6.171
   78    HH   TYR  10           HH       TYR  10   2.321   3.416   7.047
   79    H    ALA  11           H        ALA  11   6.875  -0.945   4.327
   80    HA   ALA  11           HA       ALA  11   8.574  -3.020   3.278
   81   1HB   ALA  11          2HB       ALA  11   9.670  -0.346   4.114
   82   2HB   ALA  11          3HB       ALA  11   8.430  -0.403   2.861
   83   3HB   ALA  11          1HB       ALA  11   9.960  -1.249   2.628
   84    H    LYS  12           H        LYS  12  10.248  -4.220   4.243
   85    HA   LYS  12           HA       LYS  12  10.832  -3.597   7.122
   86   1HB   LYS  12          1HB       LYS  12   9.633  -5.756   6.369
   87   2HB   LYS  12          2HB       LYS  12  11.192  -6.242   5.703
   88   1HG   LYS  12          1HG       LYS  12  12.152  -6.509   7.773
   89   2HG   LYS  12          2HG       LYS  12  11.185  -5.227   8.502
   90   1HD   LYS  12          1HD       LYS  12   9.314  -6.628   8.784
   91   2HD   LYS  12          2HD       LYS  12   9.900  -7.800   7.602
   92   1HE   LYS  12          1HE       LYS  12  11.927  -8.029   9.300
   93   2HE   LYS  12          2HE       LYS  12  10.728  -7.426  10.461
   94   1HZ   LYS  12          1HZ       LYS  12  10.195  -9.632   8.549
   95   2HZ   LYS  12          3HZ       LYS  12  10.703  -9.890  10.146
   96   3HZ   LYS  12          2HZ       LYS  12   9.214  -9.129   9.842
   97    H    ARG  13           H        ARG  13  12.408  -5.174   4.259
   98    HA   ARG  13           HA       ARG  13  14.857  -3.577   4.768
   99   1HB   ARG  13          1HB       ARG  13  14.850  -5.627   6.255
  100   2HB   ARG  13          2HB       ARG  13  14.869  -6.609   4.790
  101   1HG   ARG  13          1HG       ARG  13  17.046  -6.086   4.302
  102   2HG   ARG  13          2HG       ARG  13  16.907  -4.451   4.950
  103   1HD   ARG  13          1HD       ARG  13  17.002  -5.319   7.247
  104   2HD   ARG  13          2HD       ARG  13  17.074  -6.981   6.629
  105    HE   ARG  13           HE       ARG  13  19.226  -6.344   5.506
  106   1HH1  ARG  13          1HH1      ARG  13  18.376  -3.381   6.414
  107   2HH1  ARG  13          2HH1      ARG  13  19.690  -3.069   7.500
  108   1HH2  ARG  13          1HH2      ARG  13  20.745  -6.370   7.596
  109   2HH2  ARG  13          2HH2      ARG  13  21.031  -4.761   8.168
  110    H    GLY  14           H        GLY  14  15.795  -3.074   2.773
  111   1HA   GLY  14          2HA       GLY  14  15.317  -4.955   0.505
  112   2HA   GLY  14          1HA       GLY  14  16.643  -3.794   0.593
  113    H    THR  15           H        THR  15  15.892  -2.992  -1.562
  114    HA   THR  15           HA       THR  15  13.499  -1.196  -1.298
  115    HB   THR  15           HB       THR  15  14.774   0.270  -2.863
  116    HG1  THR  15           HG1      THR  15  16.766  -0.319  -3.521
  117   1HG2  THR  15          3HG2      THR  15  15.050   0.197  -0.255
  118   2HG2  THR  15          2HG2      THR  15  16.653  -0.436  -0.630
  119   3HG2  THR  15          1HG2      THR  15  16.174   1.155  -1.219
  120    H    ALA  16           H        ALA  16  11.916  -1.390  -2.938
  121    HA   ALA  16           HA       ALA  16  12.615  -3.117  -5.289
  122   1HB   ALA  16          2HB       ALA  16  10.267  -4.000  -5.033
  123   2HB   ALA  16          3HB       ALA  16  10.140  -3.078  -3.535
  124   3HB   ALA  16          1HB       ALA  16  11.316  -4.385  -3.669
  125    H    GLY  17           H        GLY  17  12.070  -2.187  -7.270
  126   1HA   GLY  17          2HA       GLY  17  11.213  -0.615  -8.778
  127   2HA   GLY  17          1HA       GLY  17  11.095   0.495  -7.413
  128    H    CYS  18           H        CYS  18   9.024   1.056  -6.785
  129    HA   CYS  18           HA       CYS  18   6.800  -0.807  -6.742
  130   1HB   CYS  18          1HB       CYS  18   6.699   1.044  -5.263
  131   2HB   CYS  18          2HB       CYS  18   7.148   2.189  -6.517
  132    H    LYS  19           H        LYS  19   4.870  -0.736  -8.132
  133    HA   LYS  19           HA       LYS  19   5.597  -0.352 -10.982
  134   1HB   LYS  19          1HB       LYS  19   3.384  -1.659  -9.422
  135   2HB   LYS  19          2HB       LYS  19   3.119  -1.285 -11.126
  136   1HG   LYS  19          1HG       LYS  19   5.679  -2.633 -10.381
  137   2HG   LYS  19          2HG       LYS  19   4.205  -3.602 -10.370
  138   1HD   LYS  19          1HD       LYS  19   3.834  -2.386 -12.720
  139   2HD   LYS  19          2HD       LYS  19   5.595  -2.291 -12.665
  140   1HE   LYS  19          1HE       LYS  19   4.446  -4.927 -11.918
  141   2HE   LYS  19          2HE       LYS  19   4.279  -4.465 -13.623
  142   1HZ   LYS  19          3HZ       LYS  19   6.658  -3.815 -13.568
  143   2HZ   LYS  19          2HZ       LYS  19   6.776  -4.490 -12.013
  144   3HZ   LYS  19          1HZ       LYS  19   6.411  -5.478 -13.346
  145    H    LYS  20           H        LYS  20   4.267   0.968 -12.451
  146    HA   LYS  20           HA       LYS  20   2.969   2.821 -13.070
  147   1HB   LYS  20          1HB       LYS  20   1.628   1.618 -10.937
  148   2HB   LYS  20          2HB       LYS  20   1.732   3.312 -10.460
  149   1HG   LYS  20          1HG       LYS  20  -0.248   3.259 -11.717
  150   2HG   LYS  20          2HG       LYS  20   0.942   3.804 -12.898
  151   1HD   LYS  20          1HD       LYS  20   0.749   0.874 -12.718
  152   2HD   LYS  20          2HD       LYS  20  -0.756   1.640 -13.222
  153   1HE   LYS  20          1HE       LYS  20   1.634   2.754 -14.549
  154   2HE   LYS  20          2HE       LYS  20   1.311   1.052 -14.935
  155   1HZ   LYS  20          3HZ       LYS  20  -0.789   3.148 -14.929
  156   2HZ   LYS  20          2HZ       LYS  20   0.059   2.692 -16.329
  157   3HZ   LYS  20          1HZ       LYS  20  -0.915   1.562 -15.516
  158    H    CYS  21           H        CYS  21   5.699   3.147 -11.704
  159    HA   CYS  21           HA       CYS  21   5.648   6.031 -11.584
  160   1HB   CYS  21          1HB       CYS  21   5.858   6.417  -9.239
  161   2HB   CYS  21          2HB       CYS  21   4.524   5.288  -9.403
  162    H    LYS  22           H        LYS  22   7.857   6.951 -11.011
  163    HA   LYS  22           HA       LYS  22   9.998   4.979 -11.729
  164   1HB   LYS  22          1HB       LYS  22   9.521   7.197 -12.991
  165   2HB   LYS  22          2HB       LYS  22  10.213   7.999 -11.581
  166   1HG   LYS  22          1HG       LYS  22  12.036   7.716 -13.082
  167   2HG   LYS  22          2HG       LYS  22  12.229   6.438 -11.882
  168   1HD   LYS  22          1HD       LYS  22  12.483   5.223 -13.847
  169   2HD   LYS  22          2HD       LYS  22  10.750   5.050 -13.576
  170   1HE   LYS  22          1HE       LYS  22  11.331   7.505 -15.046
  171   2HE   LYS  22          2HE       LYS  22  11.956   6.076 -15.891
  172   1HZ   LYS  22          3HZ       LYS  22   9.245   6.188 -14.693
  173   2HZ   LYS  22          2HZ       LYS  22   9.550   6.591 -16.315
  174   3HZ   LYS  22          1HZ       LYS  22   9.861   5.017 -15.754
  175    H    GLU  23           H        GLU  23   9.174   4.578  -9.155
  176    HA   GLU  23           HA       GLU  23  11.317   5.865  -7.512
  177   1HB   GLU  23          1HB       GLU  23   8.728   6.609  -7.427
  178   2HB   GLU  23          2HB       GLU  23   8.661   5.251  -6.307
  179   1HG   GLU  23          1HG       GLU  23   9.929   6.312  -4.729
  180   2HG   GLU  23          2HG       GLU  23  10.941   7.111  -5.934
  181    H    LYS  24           H        LYS  24  11.115   4.534  -5.178
  182    HA   LYS  24           HA       LYS  24  10.856   1.611  -5.773
  183   1HB   LYS  24          1HB       LYS  24  13.074   1.306  -4.680
  184   2HB   LYS  24          2HB       LYS  24  13.195   2.298  -6.132
  185   1HG   LYS  24          1HG       LYS  24  13.269   4.331  -4.808
  186   2HG   LYS  24          2HG       LYS  24  12.951   3.426  -3.328
  187   1HD   LYS  24          1HD       LYS  24  15.076   2.367  -3.388
  188   2HD   LYS  24          2HD       LYS  24  15.349   2.836  -5.066
  189   1HE   LYS  24          1HE       LYS  24  15.067   5.295  -4.028
  190   2HE   LYS  24          2HE       LYS  24  15.659   4.459  -2.578
  191   1HZ   LYS  24          3HZ       LYS  24  17.421   3.474  -3.983
  192   2HZ   LYS  24          2HZ       LYS  24  16.912   4.457  -5.273
  193   3HZ   LYS  24          1HZ       LYS  24  17.541   5.162  -3.860
  194    H    ILE  25           H        ILE  25  10.560   0.328  -3.789
  195    HA   ILE  25           HA       ILE  25   9.328   1.947  -1.607
  196    HB   ILE  25           HB       ILE  25   9.353  -1.069  -1.991
  197   1HG1  ILE  25          1HG1      ILE  25   7.232   0.907  -2.905
  198   2HG1  ILE  25          2HG1      ILE  25   8.406   0.157  -3.987
  199   1HG2  ILE  25          1HG2      ILE  25   7.916   0.891  -0.246
  200   2HG2  ILE  25          3HG2      ILE  25   7.052  -0.555  -0.766
  201   3HG2  ILE  25          2HG2      ILE  25   8.550  -0.707   0.153
  202   1HD1  ILE  25          2HD1      ILE  25   7.579  -2.092  -3.179
  203   2HD1  ILE  25          1HD1      ILE  25   6.285  -1.239  -2.335
  204   3HD1  ILE  25          3HD1      ILE  25   6.391  -1.163  -4.094
  205    H    VAL  26           H        VAL  26  10.928   2.619  -0.156
  206    HA   VAL  26           HA       VAL  26  12.981   0.599   0.707
  207    HB   VAL  26           HB       VAL  26  12.878   3.633   0.906
  208   1HG1  VAL  26          2HG1      VAL  26  14.948   1.580   1.688
  209   2HG1  VAL  26          1HG1      VAL  26  15.394   3.249   1.335
  210   3HG1  VAL  26          3HG1      VAL  26  14.286   2.894   2.660
  211   1HG2  VAL  26          1HG2      VAL  26  13.891   1.724  -1.137
  212   2HG2  VAL  26          3HG2      VAL  26  13.310   3.377  -1.333
  213   3HG2  VAL  26          2HG2      VAL  26  14.948   3.082  -0.750
  214    H    LYS  27           H        LYS  27  13.527   0.632   3.068
  215    HA   LYS  27           HA       LYS  27  11.487   0.084   4.855
  216   1HB   LYS  27          1HB       LYS  27  14.256   1.108   5.065
  217   2HB   LYS  27          2HB       LYS  27  13.273   1.360   6.507
  218   1HG   LYS  27          1HG       LYS  27  12.589  -1.151   6.139
  219   2HG   LYS  27          2HG       LYS  27  14.078  -1.219   5.195
  220   1HD   LYS  27          1HD       LYS  27  14.705  -1.821   7.418
  221   2HD   LYS  27          2HD       LYS  27  15.238  -0.152   7.209
  222   1HE   LYS  27          1HE       LYS  27  13.599   0.693   8.626
  223   2HE   LYS  27          2HE       LYS  27  12.482  -0.647   8.299
  224   1HZ   LYS  27          3HZ       LYS  27  13.988  -2.144   9.449
  225   2HZ   LYS  27          2HZ       LYS  27  15.058  -0.864   9.770
  226   3HZ   LYS  27          1HZ       LYS  27  13.515  -0.885  10.482
  227    H    GLY  28           H        GLY  28   9.762   1.230   5.715
  228   1HA   GLY  28          2HA       GLY  28  10.059   4.193   5.958
  229   2HA   GLY  28          1HA       GLY  28   9.020   3.216   6.990
  230    H    VAL  29           H        VAL  29   8.685   2.034   3.799
  231    HA   VAL  29           HA       VAL  29   6.450   3.940   3.219
  232    HB   VAL  29           HB       VAL  29   8.052   2.049   1.454
  233   1HG1  VAL  29          1HG1      VAL  29   5.730   2.346   0.656
  234   2HG1  VAL  29          3HG1      VAL  29   5.937   4.096   0.718
  235   3HG1  VAL  29          2HG1      VAL  29   6.881   3.136  -0.421
  236   1HG2  VAL  29          2HG2      VAL  29   8.145   5.015   1.979
  237   2HG2  VAL  29          1HG2      VAL  29   9.477   3.860   1.931
  238   3HG2  VAL  29          3HG2      VAL  29   8.690   4.361   0.432
  239    H    CYS  30           H        CYS  30   4.342   3.096   3.206
  240    HA   CYS  30           HA       CYS  30   4.020   0.211   3.878
  241   1HB   CYS  30          1HB       CYS  30   2.771   2.002   5.091
  242   2HB   CYS  30          2HB       CYS  30   1.991   2.458   3.577
  243    HG   CYS  30           HG       CYS  30   0.370   0.782   4.696
  244    H    ARG  31           H        ARG  31   3.369  -1.315   2.319
  245    HA   ARG  31           HA       ARG  31   2.374  -0.226  -0.292
  246   1HB   ARG  31          1HB       ARG  31   3.812  -1.934  -1.372
  247   2HB   ARG  31          2HB       ARG  31   4.761  -0.820  -0.391
  248   1HG   ARG  31          1HG       ARG  31   3.799  -3.150   1.124
  249   2HG   ARG  31          2HG       ARG  31   4.852  -3.587  -0.218
  250   1HD   ARG  31          1HD       ARG  31   6.263  -1.503   0.794
  251   2HD   ARG  31          2HD       ARG  31   5.498  -2.109   2.276
  252    HE   ARG  31           HE       ARG  31   6.466  -4.326   1.788
  253   1HH1  ARG  31          1HH1      ARG  31   6.966  -2.564  -1.003
  254   2HH1  ARG  31          2HH1      ARG  31   8.645  -2.955  -1.171
  255   1HH2  ARG  31          1HH2      ARG  31   8.880  -4.465   1.941
  256   2HH2  ARG  31          2HH2      ARG  31   9.728  -4.028   0.495
  257    H    ILE  32           H        ILE  32   0.903  -1.621  -1.453
  258    HA   ILE  32           HA       ILE  32  -0.391  -3.696   0.277
  259    HB   ILE  32           HB       ILE  32  -1.424  -2.399  -2.275
  260   1HG1  ILE  32          1HG1      ILE  32  -2.023  -1.565   0.589
  261   2HG1  ILE  32          2HG1      ILE  32  -0.912  -0.697  -0.471
  262   1HG2  ILE  32          1HG2      ILE  32  -2.443  -4.553  -1.382
  263   2HG2  ILE  32          3HG2      ILE  32  -2.940  -3.631   0.036
  264   3HG2  ILE  32          2HG2      ILE  32  -3.562  -3.201  -1.557
  265   1HD1  ILE  32          3HD1      ILE  32  -2.769  -0.405  -2.114
  266   2HD1  ILE  32          2HD1      ILE  32  -3.867  -1.169  -0.965
  267   3HD1  ILE  32          1HD1      ILE  32  -3.105   0.372  -0.565
  268    H    GLY  33           H        GLY  33  -0.472  -5.871  -0.471
  269   1HA   GLY  33          2HA       GLY  33   0.808  -7.573  -1.658
  270   2HA   GLY  33          1HA       GLY  33   1.064  -6.416  -2.964
  271    H    LYS  34           H        LYS  34  -0.040  -7.159  -4.767
  272    HA   LYS  34           HA       LYS  34  -2.889  -8.014  -4.364
  273   1HB   LYS  34          1HB       LYS  34  -2.425  -5.964  -5.713
  274   2HB   LYS  34          2HB       LYS  34  -1.450  -6.937  -6.814
  275   1HG   LYS  34          1HG       LYS  34  -3.512  -8.406  -7.134
  276   2HG   LYS  34          2HG       LYS  34  -4.423  -7.147  -6.299
  277   1HD   LYS  34          1HD       LYS  34  -3.858  -5.515  -7.975
  278   2HD   LYS  34          2HD       LYS  34  -2.698  -6.609  -8.729
  279   1HE   LYS  34          1HE       LYS  34  -4.918  -8.164  -8.846
  280   2HE   LYS  34          2HE       LYS  34  -5.660  -6.555  -8.963
  281   1HZ   LYS  34          2HZ       LYS  34  -3.319  -7.450 -10.561
  282   2HZ   LYS  34          1HZ       LYS  34  -4.917  -7.423 -11.139
  283   3HZ   LYS  34          3HZ       LYS  34  -4.146  -5.974 -10.713
  284    H    VAL  35           H        VAL  35  -3.062 -10.268  -4.457
  285    HA   VAL  35           HA       VAL  35  -1.069 -11.765  -6.110
  286    HB   VAL  35           HB       VAL  35  -3.154 -12.690  -4.098
  287   1HG1  VAL  35          2HG1      VAL  35  -2.496 -14.423  -5.751
  288   2HG1  VAL  35          1HG1      VAL  35  -0.803 -14.161  -5.330
  289   3HG1  VAL  35          3HG1      VAL  35  -1.920 -14.812  -4.130
  290   1HG2  VAL  35          3HG2      VAL  35  -1.167 -11.208  -3.322
  291   2HG2  VAL  35          2HG2      VAL  35  -1.428 -12.736  -2.481
  292   3HG2  VAL  35          1HG2      VAL  35  -0.163 -12.607  -3.702
  293    H    VAL  36           H        VAL  36  -1.768 -11.912  -8.261
  294    HA   VAL  36           HA       VAL  36  -4.597 -12.811  -8.686
  295    HB   VAL  36           HB       VAL  36  -4.214 -10.462  -9.351
  296   1HG1  VAL  36          1HG1      VAL  36  -2.002 -11.679 -11.022
  297   2HG1  VAL  36          3HG1      VAL  36  -2.668 -10.079 -11.338
  298   3HG1  VAL  36          2HG1      VAL  36  -1.863 -10.410  -9.806
  299   1HG2  VAL  36          1HG2      VAL  36  -4.549 -12.465 -11.597
  300   2HG2  VAL  36          3HG2      VAL  36  -5.818 -11.649 -10.683
  301   3HG2  VAL  36          2HG2      VAL  36  -4.813 -10.734 -11.807
  302    HA   PRO  37           HA       PRO  37  -2.568 -16.190 -10.725
  303   1HB   PRO  37          1HB       PRO  37  -4.691 -17.236 -12.093
  304   2HB   PRO  37          2HB       PRO  37  -4.488 -17.427 -10.341
  305   1HG   PRO  37          1HG       PRO  37  -6.265 -15.593 -11.851
  306   2HG   PRO  37          2HG       PRO  37  -6.538 -16.420 -10.311
  307   1HD   PRO  37          1HD       PRO  37  -5.853 -13.763 -10.563
  308   2HD   PRO  37          2HD       PRO  37  -5.590 -14.743  -9.105
  309    H    ASN  38           H        ASN  38  -1.291 -16.075 -12.591
  310    HA   ASN  38           HA       ASN  38  -2.310 -14.407 -14.860
  311   1HB   ASN  38          1HB       ASN  38   0.459 -15.362 -14.064
  312   2HB   ASN  38          2HB       ASN  38   0.120 -14.351 -15.469
  313   1HD2  ASN  38          2HD2      ASN  38   0.176 -12.097 -15.084
  314   2HD2  ASN  38          1HD2      ASN  38   0.046 -11.390 -13.547
  315    HA   PRO  39           HA       PRO  39  -2.720 -18.450 -16.842
  316   1HB   PRO  39          1HB       PRO  39  -3.994 -17.580 -19.100
  317   2HB   PRO  39          2HB       PRO  39  -4.832 -17.824 -17.555
  318   1HG   PRO  39          1HG       PRO  39  -3.908 -15.308 -18.829
  319   2HG   PRO  39          2HG       PRO  39  -5.357 -15.621 -17.862
  320   1HD   PRO  39          1HD       PRO  39  -3.095 -14.379 -16.914
  321   2HD   PRO  39          2HD       PRO  39  -4.279 -15.227 -15.896
  322    H    PHE  40           H        PHE  40  -0.225 -18.187 -17.076
  323    HA   PHE  40           HA       PHE  40   0.434 -17.951 -19.968
  324   1HB   PHE  40          1HB       PHE  40   0.686 -15.704 -18.948
  325   2HB   PHE  40          2HB       PHE  40   1.787 -16.380 -17.748
  326    HD1  PHE  40           HD1      PHE  40   1.459 -15.084 -21.103
  327    HD2  PHE  40           HD2      PHE  40   3.936 -17.489 -18.548
  328    HE1  PHE  40           HE1      PHE  40   3.352 -14.813 -22.682
  329    HE2  PHE  40           HE2      PHE  40   5.828 -17.219 -20.126
  330    HZ   PHE  40           HZ       PHE  40   5.537 -15.880 -22.194
  331    H    SER  41           H        SER  41   2.094 -18.286 -16.759
  332    HA   SER  41           HA       SER  41   3.655 -20.562 -17.934
  333   1HB   SER  41          1HB       SER  41   4.735 -18.431 -16.974
  334   2HB   SER  41          2HB       SER  41   4.222 -19.016 -15.394
  335    HG   SER  41           HG       SER  41   6.409 -19.627 -16.261
  336    H    GLU  42           H        GLU  42   4.008 -22.474 -16.497
  337    HA   GLU  42           HA       GLU  42   1.570 -23.072 -14.901
  338   1HB   GLU  42          1HB       GLU  42   3.956 -24.724 -15.799
  339   2HB   GLU  42          2HB       GLU  42   2.587 -25.380 -14.899
  340   1HG   GLU  42          1HG       GLU  42   1.931 -23.791 -17.326
  341   2HG   GLU  42          2HG       GLU  42   2.680 -25.365 -17.597
  342    H    SER  43           H        SER  43   5.115 -22.749 -14.404
  343    HA   SER  43           HA       SER  43   5.017 -23.558 -11.598
  344   1HB   SER  43          1HB       SER  43   7.046 -23.582 -13.118
  345   2HB   SER  43          2HB       SER  43   7.075 -21.825 -13.011
  346    HG   SER  43           HG       SER  43   8.432 -22.814 -11.452
  347    H    GLY  44           H        GLY  44   4.958 -20.378 -13.282
  348   1HA   GLY  44          2HA       GLY  44   4.754 -18.214 -12.316
  349   2HA   GLY  44          1HA       GLY  44   4.775 -18.951 -10.713
  350    H    GLY  45           H        GLY  45   2.717 -20.148 -10.068
  351   1HA   GLY  45          2HA       GLY  45   0.390 -20.187  -9.812
  352   2HA   GLY  45          1HA       GLY  45   0.292 -19.905 -11.550
  353    H    ASP  46           H        ASP  46   0.707 -18.216  -8.404
  354    HA   ASP  46           HA       ASP  46  -0.523 -15.797  -9.691
  355   1HB   ASP  46          1HB       ASP  46  -0.662 -16.899  -6.864
  356   2HB   ASP  46          2HB       ASP  46  -1.438 -15.407  -7.398
  357    H    MET  47           H        MET  47   0.604 -13.826  -9.440
  358    HA   MET  47           HA       MET  47   3.089 -13.910  -7.752
  359   1HB   MET  47          1HB       MET  47   3.333 -13.806 -10.253
  360   2HB   MET  47          2HB       MET  47   2.465 -12.271 -10.229
  361   1HG   MET  47          1HG       MET  47   4.183 -11.209  -8.952
  362   2HG   MET  47          2HG       MET  47   4.956 -12.750  -8.584
  363   1HE   MET  47          3HE       MET  47   5.771  -9.911  -9.793
  364   2HE   MET  47          2HE       MET  47   6.423  -9.952 -11.429
  365   3HE   MET  47          1HE       MET  47   4.685  -9.792 -11.184
  366    H    LYS  48           H        LYS  48   3.586 -11.953  -6.535
  367    HA   LYS  48           HA       LYS  48   1.282 -10.043  -6.299
  368   1HB   LYS  48          1HB       LYS  48   1.784 -10.003  -3.876
  369   2HB   LYS  48          2HB       LYS  48   1.424 -11.639  -4.421
  370   1HG   LYS  48          1HG       LYS  48   3.726 -12.265  -4.389
  371   2HG   LYS  48          2HG       LYS  48   4.255 -10.590  -4.242
  372   1HD   LYS  48          1HD       LYS  48   3.617 -10.443  -1.997
  373   2HD   LYS  48          2HD       LYS  48   2.474 -11.780  -2.134
  374   1HE   LYS  48          1HE       LYS  48   4.100 -13.374  -1.812
  375   2HE   LYS  48          2HE       LYS  48   5.332 -12.432  -2.676
  376   1HZ   LYS  48          3HZ       LYS  48   5.341 -10.853  -0.822
  377   2HZ   LYS  48          2HZ       LYS  48   4.233 -11.828   0.020
  378   3HZ   LYS  48          1HZ       LYS  48   5.795 -12.407  -0.315
  379    H    GLU  49           H        GLU  49   1.841  -7.812  -6.066
  380    HA   GLU  49           HA       GLU  49   4.774  -7.181  -6.178
  381   1HB   GLU  49          1HB       GLU  49   2.470  -6.472  -7.933
  382   2HB   GLU  49          2HB       GLU  49   3.650  -5.196  -7.628
  383   1HG   GLU  49          1HG       GLU  49   4.684  -7.910  -8.334
  384   2HG   GLU  49          2HG       GLU  49   3.981  -6.934  -9.624
  385    H    TRP  50           H        TRP  50   5.300  -5.026  -5.232
  386    HA   TRP  50           HA       TRP  50   3.285  -4.222  -3.169
  387   1HB   TRP  50          1HB       TRP  50   6.260  -3.698  -3.472
  388   2HB   TRP  50          2HB       TRP  50   5.281  -3.146  -2.114
  389    HD1  TRP  50           HD1      TRP  50   7.546  -5.785  -2.877
  390    HE1  TRP  50           HE1      TRP  50   7.110  -7.904  -1.481
  391    HE3  TRP  50           HE3      TRP  50   2.841  -4.756  -1.145
  392    HZ2  TRP  50           HZ2      TRP  50   5.045  -9.019   0.153
  393    HZ3  TRP  50           HZ3      TRP  50   1.672  -6.363   0.331
  394    HH2  TRP  50           HH2      TRP  50   2.765  -8.493   0.979
  395    H    TYR  51           H        TYR  51   2.489  -2.077  -3.088
  396    HA   TYR  51           HA       TYR  51   3.330  -0.282  -5.342
  397   1HB   TYR  51          1HB       TYR  51   0.654  -0.784  -4.008
  398   2HB   TYR  51          2HB       TYR  51   0.934   0.515  -5.165
  399    HD1  TYR  51           HD1      TYR  51   1.411   0.026  -7.531
  400    HD2  TYR  51           HD2      TYR  51   0.601  -3.103  -4.699
  401    HE1  TYR  51           HE1      TYR  51   1.037  -1.569  -9.393
  402    HE2  TYR  51           HE2      TYR  51   0.230  -4.699  -6.554
  403    HH   TYR  51           HH       TYR  51   1.263  -4.395  -9.468
  404    H    HIS  52           H        HIS  52   2.643   2.096  -4.788
  405    HA   HIS  52           HA       HIS  52   3.698   2.764  -2.072
  406   1HB   HIS  52          1HB       HIS  52   3.368   4.093  -4.720
  407   2HB   HIS  52          2HB       HIS  52   3.284   5.142  -3.316
  408    HD2  HIS  52           HD2      HIS  52   5.704   4.349  -1.484
  409    HE1  HIS  52           HE1      HIS  52   8.138   3.960  -4.926
  410    HE2  HIS  52           HE2      HIS  52   8.112   4.204  -2.424
  411    H    ILE  53           H        ILE  53   2.387   5.043  -1.359
  412    HA   ILE  53           HA       ILE  53  -0.379   4.105  -0.874
  413    HB   ILE  53           HB       ILE  53   1.142   6.599  -0.029
  414   1HG1  ILE  53          1HG1      ILE  53   2.027   4.461   0.871
  415   2HG1  ILE  53          2HG1      ILE  53   1.309   5.448   2.143
  416   1HG2  ILE  53          3HG2      ILE  53  -1.629   6.233  -0.037
  417   2HG2  ILE  53          2HG2      ILE  53  -1.157   5.819   1.609
  418   3HG2  ILE  53          1HG2      ILE  53  -0.734   7.391   0.946
  419   1HD1  ILE  53          1HD1      ILE  53  -0.836   4.135   1.813
  420   2HD1  ILE  53          3HD1      ILE  53   0.076   3.047   0.765
  421   3HD1  ILE  53          2HD1      ILE  53   0.510   3.198   2.468
  422    H    LYS  54           H        LYS  54   1.270   6.618  -2.834
  423    HA   LYS  54           HA       LYS  54  -1.352   7.685  -3.727
  424   1HB   LYS  54          1HB       LYS  54   0.723   9.087  -3.213
  425   2HB   LYS  54          2HB       LYS  54   1.425   8.424  -4.690
  426   1HG   LYS  54          1HG       LYS  54  -0.087   9.527  -6.069
  427   2HG   LYS  54          2HG       LYS  54  -1.316   9.634  -4.808
  428   1HD   LYS  54          1HD       LYS  54  -0.361  11.502  -3.839
  429   2HD   LYS  54          2HD       LYS  54   1.267  11.071  -4.365
  430   1HE   LYS  54          1HE       LYS  54   0.112  11.456  -6.786
  431   2HE   LYS  54          2HE       LYS  54  -0.836  12.597  -5.811
  432   1HZ   LYS  54          1HZ       LYS  54   2.126  12.401  -5.724
  433   2HZ   LYS  54          3HZ       LYS  54   1.286  13.539  -6.660
  434   3HZ   LYS  54          2HZ       LYS  54   1.155  13.571  -4.966
  435    H    CYS  55           H        CYS  55   1.316   5.685  -5.016
  436    HA   CYS  55           HA       CYS  55   0.473   5.699  -7.768
  437   1HB   CYS  55          1HB       CYS  55   1.864   3.534  -6.158
  438   2HB   CYS  55          2HB       CYS  55   1.797   3.588  -7.915
  439    H    MET  56           H        MET  56  -0.208   3.276  -5.195
  440    HA   MET  56           HA       MET  56  -2.022   1.731  -6.832
  441   1HB   MET  56          1HB       MET  56  -0.797   1.307  -4.478
  442   2HB   MET  56          2HB       MET  56  -2.367   1.824  -3.863
  443   1HG   MET  56          1HG       MET  56  -2.041  -0.329  -5.967
  444   2HG   MET  56          2HG       MET  56  -2.146  -0.673  -4.240
  445   1HE   MET  56          3HE       MET  56  -3.743  -1.518  -6.782
  446   2HE   MET  56          2HE       MET  56  -5.440  -1.045  -6.815
  447   3HE   MET  56          1HE       MET  56  -4.221   0.025  -7.503
  448    H    PHE  57           H        PHE  57  -2.584   4.429  -4.539
  449    HA   PHE  57           HA       PHE  57  -5.497   4.258  -4.851
  450   1HB   PHE  57          1HB       PHE  57  -3.531   6.071  -3.516
  451   2HB   PHE  57          2HB       PHE  57  -5.132   6.727  -3.858
  452    HD1  PHE  57           HD1      PHE  57  -7.171   5.614  -2.936
  453    HD2  PHE  57           HD2      PHE  57  -3.214   4.367  -1.827
  454    HE1  PHE  57           HE1      PHE  57  -8.095   4.390  -0.994
  455    HE2  PHE  57           HE2      PHE  57  -4.133   3.153   0.116
  456    HZ   PHE  57           HZ       PHE  57  -6.581   3.160   0.535
  457    H    GLU  58           H        GLU  58  -2.868   5.999  -6.519
  458    HA   GLU  58           HA       GLU  58  -4.600   7.845  -7.945
  459   1HB   GLU  58          1HB       GLU  58  -2.146   8.149  -7.691
  460   2HB   GLU  58          2HB       GLU  58  -1.873   6.717  -8.684
  461   1HG   GLU  58          1HG       GLU  58  -3.121   7.837 -10.546
  462   2HG   GLU  58          2HG       GLU  58  -3.217   9.292  -9.554
  463    H    LYS  59           H        LYS  59  -3.450   4.515  -8.617
  464    HA   LYS  59           HA       LYS  59  -4.365   4.335 -11.332
  465   1HB   LYS  59          1HB       LYS  59  -2.969   2.691  -9.853
  466   2HB   LYS  59          2HB       LYS  59  -4.539   2.048  -9.369
  467   1HG   LYS  59          1HG       LYS  59  -5.072   1.366 -11.563
  468   2HG   LYS  59          2HG       LYS  59  -3.845   2.410 -12.280
  469   1HD   LYS  59          1HD       LYS  59  -2.122   0.988 -11.017
  470   2HD   LYS  59          2HD       LYS  59  -3.435  -0.157 -10.740
  471   1HE   LYS  59          1HE       LYS  59  -2.675   0.847 -13.504
  472   2HE   LYS  59          2HE       LYS  59  -2.059  -0.665 -12.806
  473   1HZ   LYS  59          2HZ       LYS  59  -4.356  -1.349 -12.394
  474   2HZ   LYS  59          1HZ       LYS  59  -4.920   0.067 -13.144
  475   3HZ   LYS  59          3HZ       LYS  59  -4.078  -1.093 -14.050
  476    H    LEU  60           H        LEU  60  -6.099   3.788  -8.246
  477    HA   LEU  60           HA       LEU  60  -8.562   2.811  -9.352
  478   1HB   LEU  60          1HB       LEU  60  -7.689   4.170  -6.829
  479   2HB   LEU  60          2HB       LEU  60  -9.421   4.114  -7.158
  480    HG   LEU  60           HG       LEU  60  -9.133   1.617  -7.581
  481   1HD1  LEU  60          2HD1      LEU  60  -6.474   2.183  -6.233
  482   2HD1  LEU  60          1HD1      LEU  60  -7.126   0.582  -6.581
  483   3HD1  LEU  60          3HD1      LEU  60  -6.686   1.661  -7.904
  484   1HD2  LEU  60          2HD2      LEU  60  -8.675   2.913  -4.891
  485   2HD2  LEU  60          1HD2      LEU  60 -10.164   2.222  -5.535
  486   3HD2  LEU  60          3HD2      LEU  60  -8.840   1.164  -5.047
  487    H    GLU  61           H        GLU  61  -7.514   6.187  -8.647
  488    HA   GLU  61           HA       GLU  61  -9.928   7.499  -9.448
  489   1HB   GLU  61          1HB       GLU  61  -7.632   8.341  -8.389
  490   2HB   GLU  61          2HB       GLU  61  -7.256   8.710 -10.072
  491   1HG   GLU  61          1HG       GLU  61  -8.970  10.280 -10.254
  492   2HG   GLU  61          2HG       GLU  61  -9.902   9.562  -8.940
  493    H    ARG  62           H        ARG  62  -7.199   6.300 -11.421
  494    HA   ARG  62           HA       ARG  62  -8.392   7.439 -13.891
  495   1HB   ARG  62          1HB       ARG  62  -5.935   7.432 -13.465
  496   2HB   ARG  62          2HB       ARG  62  -5.960   5.668 -13.464
  497   1HG   ARG  62          1HG       ARG  62  -6.428   5.541 -15.752
  498   2HG   ARG  62          2HG       ARG  62  -7.094   7.174 -15.806
  499   1HD   ARG  62          1HD       ARG  62  -4.859   8.138 -15.511
  500   2HD   ARG  62          2HD       ARG  62  -4.160   6.514 -15.357
  501    HE   ARG  62           HE       ARG  62  -5.532   7.487 -17.837
  502   1HH1  ARG  62          1HH1      ARG  62  -2.500   6.810 -16.779
  503   2HH1  ARG  62          2HH1      ARG  62  -2.155   5.549 -17.915
  504   1HH2  ARG  62          1HH2      ARG  62  -5.425   5.304 -19.040
  505   2HH2  ARG  62          2HH2      ARG  62  -3.811   4.697 -19.195
  506    H    ALA  63           H        ALA  63  -8.155   4.269 -12.258
  507    HA   ALA  63           HA       ALA  63  -8.809   2.581 -14.474
  508   1HB   ALA  63          1HB       ALA  63  -9.474   0.974 -12.772
  509   2HB   ALA  63          2HB       ALA  63  -9.722   2.262 -11.593
  510   3HB   ALA  63          3HB       ALA  63  -8.094   1.880 -12.152
  511    H    ARG  64           H        ARG  64 -11.021   1.461 -14.774
  512    HA   ARG  64           HA       ARG  64 -13.053   3.422 -15.364
  513   1HB   ARG  64          1HB       ARG  64 -12.873   0.426 -15.280
  514   2HB   ARG  64          2HB       ARG  64 -14.468   1.165 -15.438
  515   1HG   ARG  64          1HG       ARG  64 -12.145   1.931 -17.217
  516   2HG   ARG  64          2HG       ARG  64 -13.266   0.633 -17.630
  517   1HD   ARG  64          1HD       ARG  64 -14.514   3.207 -16.803
  518   2HD   ARG  64          2HD       ARG  64 -13.698   3.195 -18.380
  519    HE   ARG  64           HE       ARG  64 -15.798   1.200 -17.611
  520   1HH1  ARG  64          1HH1      ARG  64 -17.465   2.256 -19.206
  521   2HH1  ARG  64          2HH1      ARG  64 -16.934   2.161 -20.852
  522   1HH2  ARG  64          1HH2      ARG  64 -13.640   1.457 -20.027
  523   2HH2  ARG  64          2HH2      ARG  64 -14.768   1.709 -21.317
  524    H    ALA  65           H        ALA  65 -15.208   3.653 -14.346
  525    HA   ALA  65           HA       ALA  65 -15.046   3.513 -11.392
  526   1HB   ALA  65          3HB       ALA  65 -16.042   5.367 -13.015
  527   2HB   ALA  65          1HB       ALA  65 -16.784   5.064 -11.443
  528   3HB   ALA  65          2HB       ALA  65 -17.494   4.372 -12.902
  529    H    THR  66           H        THR  66 -16.859   1.877 -14.017
  530    HA   THR  66           HA       THR  66 -18.912   0.595 -12.578
  531    HB   THR  66           HB       THR  66 -17.152  -0.690 -14.695
  532    HG1  THR  66           HG1      THR  66 -18.424   0.370 -16.156
  533   1HG2  THR  66          3HG2      THR  66 -19.942  -1.167 -13.667
  534   2HG2  THR  66          2HG2      THR  66 -19.491  -1.641 -15.305
  535   3HG2  THR  66          1HG2      THR  66 -18.645  -2.335 -13.922
  536    H    THR  67           H        THR  67 -15.435  -0.299 -12.638
  537    HA   THR  67           HA       THR  67 -16.034  -2.532 -10.729
  538    HB   THR  67           HB       THR  67 -13.451  -2.877 -11.373
  539    HG1  THR  67           HG1      THR  67 -12.972  -2.025 -13.314
  540   1HG2  THR  67          3HG2      THR  67 -15.822  -3.510 -13.149
  541   2HG2  THR  67          2HG2      THR  67 -14.238  -4.271 -13.292
  542   3HG2  THR  67          1HG2      THR  67 -15.199  -4.505 -11.833
  543    H    LYS  68           H        LYS  68 -15.498  -2.206  -8.562
  544    HA   LYS  68           HA       LYS  68 -13.686   0.104  -7.932
  545   1HB   LYS  68          1HB       LYS  68 -16.226  -0.043  -7.288
  546   2HB   LYS  68          2HB       LYS  68 -15.661  -1.152  -6.038
  547   1HG   LYS  68          1HG       LYS  68 -13.914   0.721  -5.516
  548   2HG   LYS  68          2HG       LYS  68 -15.029   1.768  -6.394
  549   1HD   LYS  68          1HD       LYS  68 -15.821   0.006  -4.057
  550   2HD   LYS  68          2HD       LYS  68 -15.465   1.729  -3.930
  551   1HE   LYS  68          1HE       LYS  68 -17.291   2.212  -5.555
  552   2HE   LYS  68          2HE       LYS  68 -17.679   0.480  -5.599
  553   1HZ   LYS  68          3HZ       LYS  68 -17.921   0.538  -3.173
  554   2HZ   LYS  68          2HZ       LYS  68 -17.653   2.216  -3.185
  555   3HZ   LYS  68          1HZ       LYS  68 -19.032   1.567  -3.937
  556    H    LYS  69           H        LYS  69 -11.939  -0.277  -6.473
  557    HA   LYS  69           HA       LYS  69 -11.628  -3.102  -5.503
  558   1HB   LYS  69          1HB       LYS  69  -9.818  -1.216  -6.979
  559   2HB   LYS  69          2HB       LYS  69  -9.099  -2.391  -5.877
  560   1HG   LYS  69          1HG       LYS  69  -9.815  -4.214  -7.131
  561   2HG   LYS  69          2HG       LYS  69 -11.157  -3.322  -7.849
  562   1HD   LYS  69          1HD       LYS  69  -9.704  -3.361  -9.650
  563   2HD   LYS  69          2HD       LYS  69  -9.184  -1.864  -8.876
  564   1HE   LYS  69          1HE       LYS  69  -7.520  -3.357  -7.553
  565   2HE   LYS  69          2HE       LYS  69  -7.851  -4.574  -8.803
  566   1HZ   LYS  69          1HZ       LYS  69  -7.392  -2.856 -10.485
  567   2HZ   LYS  69          3HZ       LYS  69  -6.944  -1.779  -9.254
  568   3HZ   LYS  69          2HZ       LYS  69  -6.034  -3.189  -9.520
  569    H    ILE  70           H        ILE  70 -10.604  -3.300  -3.393
  570    HA   ILE  70           HA       ILE  70 -10.138  -2.608  -1.189
  571    HB   ILE  70           HB       ILE  70  -9.099  -0.205  -2.734
  572   1HG1  ILE  70          1HG1      ILE  70  -7.653  -2.715  -1.827
  573   2HG1  ILE  70          2HG1      ILE  70  -8.219  -2.440  -3.475
  574   1HG2  ILE  70          2HG2      ILE  70  -8.652  -1.221   0.076
  575   2HG2  ILE  70          1HG2      ILE  70  -7.481  -0.177  -0.729
  576   3HG2  ILE  70          3HG2      ILE  70  -9.123   0.399  -0.438
  577   1HD1  ILE  70          3HD1      ILE  70  -6.531  -0.330  -2.189
  578   2HD1  ILE  70          2HD1      ILE  70  -5.739  -1.799  -2.762
  579   3HD1  ILE  70          1HD1      ILE  70  -6.647  -0.790  -3.888
  580    H    GLU  71           H        GLU  71 -12.246  -2.294  -0.276
  581    HA   GLU  71           HA       GLU  71 -13.431   0.446  -0.599
  582   1HB   GLU  71          1HB       GLU  71 -14.606  -2.239   0.198
  583   2HB   GLU  71          2HB       GLU  71 -15.523  -0.733   0.137
  584   1HG   GLU  71          1HG       GLU  71 -15.371  -0.580  -2.194
  585   2HG   GLU  71          2HG       GLU  71 -13.955  -1.630  -2.267
  586    H    ASP  72           H        ASP  72 -13.823   1.694   1.299
  587    HA   ASP  72           HA       ASP  72 -13.512   2.370   3.538
  588   1HB   ASP  72          1HB       ASP  72 -15.105   0.150   3.417
  589   2HB   ASP  72          2HB       ASP  72 -13.842  -0.408   4.515
  590    H    LEU  73           H        LEU  73 -12.345   1.109   5.765
  591    HA   LEU  73           HA       LEU  73  -9.564   0.571   4.770
  592   1HB   LEU  73          1HB       LEU  73 -10.172   2.691   6.094
  593   2HB   LEU  73          2HB       LEU  73 -10.394   1.624   7.482
  594    HG   LEU  73           HG       LEU  73  -8.055   0.751   7.061
  595   1HD1  LEU  73          3HD1      LEU  73  -8.301   2.792   4.908
  596   2HD1  LEU  73          2HD1      LEU  73  -6.758   2.724   5.758
  597   3HD1  LEU  73          1HD1      LEU  73  -7.374   1.292   4.935
  598   1HD2  LEU  73          1HD2      LEU  73  -8.566   3.653   7.747
  599   2HD2  LEU  73          3HD2      LEU  73  -8.326   2.301   8.854
  600   3HD2  LEU  73          2HD2      LEU  73  -6.971   2.918   7.909
  601    H    THR  74           H        THR  74 -11.583  -1.571   5.102
  602    HA   THR  74           HA       THR  74 -10.087  -3.233   7.053
  603    HB   THR  74           HB       THR  74 -12.636  -3.831   7.805
  604    HG1  THR  74           HG1      THR  74 -13.672  -2.263   6.707
  605   1HG2  THR  74          3HG2      THR  74 -10.697  -3.256   9.260
  606   2HG2  THR  74          2HG2      THR  74 -10.992  -1.549   8.930
  607   3HG2  THR  74          1HG2      THR  74 -12.197  -2.500   9.799
  608    H    GLU  75           H        GLU  75 -10.410  -3.337   4.102
  609    HA   GLU  75           HA       GLU  75 -11.861  -5.957   3.883
  610   1HB   GLU  75          1HB       GLU  75 -11.775  -3.488   2.164
  611   2HB   GLU  75          2HB       GLU  75 -12.089  -5.055   1.416
  612   1HG   GLU  75          1HG       GLU  75 -13.644  -3.983   3.786
  613   2HG   GLU  75          2HG       GLU  75 -14.173  -3.817   2.111
  614    H    LEU  76           H        LEU  76  -9.012  -5.630   4.538
  615    HA   LEU  76           HA       LEU  76  -7.856  -7.023   2.178
  616   1HB   LEU  76          1HB       LEU  76  -7.466  -4.279   2.777
  617   2HB   LEU  76          2HB       LEU  76  -5.977  -5.091   3.257
  618    HG   LEU  76           HG       LEU  76  -5.986  -6.233   0.997
  619   1HD1  LEU  76          2HD1      LEU  76  -8.396  -4.480   0.761
  620   2HD1  LEU  76          1HD1      LEU  76  -7.385  -4.691  -0.669
  621   3HD1  LEU  76          3HD1      LEU  76  -8.116  -6.094   0.109
  622   1HD2  LEU  76          1HD2      LEU  76  -5.619  -3.314   1.491
  623   2HD2  LEU  76          3HD2      LEU  76  -4.437  -4.526   0.998
  624   3HD2  LEU  76          2HD2      LEU  76  -5.562  -3.858  -0.185
  625    H    GLU  77           H        GLU  77  -5.964  -8.337   2.777
  626    HA   GLU  77           HA       GLU  77  -5.959  -9.065   5.662
  627   1HB   GLU  77          1HB       GLU  77  -6.068 -10.776   3.850
  628   2HB   GLU  77          2HB       GLU  77  -4.488 -10.241   3.275
  629   1HG   GLU  77          1HG       GLU  77  -3.633 -10.723   5.644
  630   2HG   GLU  77          2HG       GLU  77  -5.158 -11.570   5.907
  631    H    GLY  78           H        GLY  78  -4.746  -7.393   6.744
  632   1HA   GLY  78          2HA       GLY  78  -2.122  -6.628   5.628
  633   2HA   GLY  78          1HA       GLY  78  -2.076  -7.527   7.139
  634    H    TRP  79           H        TRP  79  -4.582  -5.100   6.286
  635    HA   TRP  79           HA       TRP  79  -3.450  -2.812   7.499
  636   1HB   TRP  79          1HB       TRP  79  -5.757  -2.014   7.751
  637   2HB   TRP  79          2HB       TRP  79  -5.583  -2.867   6.222
  638    HD1  TRP  79           HD1      TRP  79  -7.187  -4.802   5.783
  639    HE1  TRP  79           HE1      TRP  79  -8.940  -6.079   7.175
  640    HE3  TRP  79           HE3      TRP  79  -6.253  -2.828  10.398
  641    HZ2  TRP  79           HZ2      TRP  79  -9.834  -6.236   9.887
  642    HZ3  TRP  79           HZ3      TRP  79  -7.573  -3.554  12.365
  643    HH2  TRP  79           HH2      TRP  79  -9.361  -5.253  12.115
  644    H    GLU  80           H        GLU  80  -4.897  -5.638   9.130
  645    HA   GLU  80           HA       GLU  80  -5.232  -4.494  11.742
  646   1HB   GLU  80          1HB       GLU  80  -5.785  -6.879  10.685
  647   2HB   GLU  80          2HB       GLU  80  -4.231  -7.306  11.402
  648   1HG   GLU  80          1HG       GLU  80  -6.233  -5.814  13.063
  649   2HG   GLU  80          2HG       GLU  80  -6.449  -7.547  12.815
  650    H    GLU  81           H        GLU  81  -2.354  -6.039  10.224
  651    HA   GLU  81           HA       GLU  81  -0.630  -5.885  12.523
  652   1HB   GLU  81          1HB       GLU  81  -0.291  -7.102  10.274
  653   2HB   GLU  81          2HB       GLU  81   0.257  -5.548   9.644
  654   1HG   GLU  81          1HG       GLU  81   1.784  -5.576  11.809
  655   2HG   GLU  81          2HG       GLU  81   1.537  -7.319  11.694
  656    H    LEU  82           H        LEU  82  -1.309  -3.503   9.923
  657    HA   LEU  82           HA       LEU  82   0.636  -1.537  10.464
  658   1HB   LEU  82          1HB       LEU  82  -2.031  -1.650   9.250
  659   2HB   LEU  82          2HB       LEU  82  -1.731  -0.092  10.010
  660    HG   LEU  82           HG       LEU  82   0.403   0.091   8.771
  661   1HD1  LEU  82          1HD1      LEU  82   0.331  -2.594   8.509
  662   2HD1  LEU  82          3HD1      LEU  82  -0.356  -2.136   6.951
  663   3HD1  LEU  82          2HD1      LEU  82   1.243  -1.556   7.415
  664   1HD2  LEU  82          3HD2      LEU  82  -2.243  -0.186   7.427
  665   2HD2  LEU  82          2HD2      LEU  82  -1.201   1.229   7.573
  666   3HD2  LEU  82          1HD2      LEU  82  -0.827  -0.024   6.389
  667    H    GLU  83           H        GLU  83   0.106   0.710  11.591
  668    HA   GLU  83           HA       GLU  83  -0.911   0.085  14.343
  669   1HB   GLU  83          1HB       GLU  83   1.113   1.989  13.170
  670   2HB   GLU  83          2HB       GLU  83   0.456   2.267  14.783
  671   1HG   GLU  83          1HG       GLU  83   1.453   0.377  15.669
  672   2HG   GLU  83          2HG       GLU  83   1.454  -0.474  14.124
  673    H    ASP  84           H        ASP  84  -2.135   1.881  15.452
  674    HA   ASP  84           HA       ASP  84  -4.351   2.844  13.956
  675   1HB   ASP  84          1HB       ASP  84  -3.063   3.873  16.504
  676   2HB   ASP  84          2HB       ASP  84  -4.637   4.419  15.923
  677    H    ASN  85           H        ASN  85  -1.317   4.578  14.786
  678    HA   ASN  85           HA       ASN  85  -2.052   7.084  13.567
  679   1HB   ASN  85          1HB       ASN  85  -0.076   6.559  15.121
  680   2HB   ASN  85          2HB       ASN  85   0.745   5.918  13.697
  681   1HD2  ASN  85          2HD2      ASN  85  -1.181   8.917  14.469
  682   2HD2  ASN  85          1HD2      ASN  85  -0.087   9.965  13.703
  683    H    GLU  86           H        GLU  86  -0.122   4.353  12.242
  684    HA   GLU  86           HA       GLU  86   0.124   5.447   9.585
  685   1HB   GLU  86          1HB       GLU  86   0.338   2.735  10.853
  686   2HB   GLU  86          2HB       GLU  86   0.286   2.828   9.092
  687   1HG   GLU  86          1HG       GLU  86   2.607   2.905   9.761
  688   2HG   GLU  86          2HG       GLU  86   2.155   4.518   9.208
  689    H    LYS  87           H        LYS  87  -2.379   3.374  11.092
  690    HA   LYS  87           HA       LYS  87  -3.911   2.826   8.734
  691   1HB   LYS  87          1HB       LYS  87  -4.147   1.883  11.122
  692   2HB   LYS  87          2HB       LYS  87  -5.074   3.340  11.483
  693   1HG   LYS  87          1HG       LYS  87  -6.836   2.728  10.112
  694   2HG   LYS  87          2HG       LYS  87  -5.810   1.763   9.050
  695   1HD   LYS  87          1HD       LYS  87  -5.800  -0.069  10.502
  696   2HD   LYS  87          2HD       LYS  87  -6.208   0.918  11.906
  697   1HE   LYS  87          1HE       LYS  87  -8.452   1.372  10.628
  698   2HE   LYS  87          2HE       LYS  87  -8.023  -0.096   9.726
  699   1HZ   LYS  87          2HZ       LYS  87  -7.593  -1.171  11.910
  700   2HZ   LYS  87          1HZ       LYS  87  -8.258   0.194  12.673
  701   3HZ   LYS  87          3HZ       LYS  87  -9.224  -0.765  11.661
  702    H    GLU  88           H        GLU  88  -3.973   5.641  10.954
  703    HA   GLU  88           HA       GLU  88  -6.264   6.961   9.830
  704   1HB   GLU  88          1HB       GLU  88  -3.819   7.775  11.367
  705   2HB   GLU  88          2HB       GLU  88  -4.798   9.050  10.640
  706   1HG   GLU  88          1HG       GLU  88  -6.818   8.013  11.745
  707   2HG   GLU  88          2HG       GLU  88  -5.717   6.937  12.607
  708    H    GLN  89           H        GLN  89  -2.801   7.048   8.869
  709    HA   GLN  89           HA       GLN  89  -3.090   9.070   6.829
  710   1HB   GLN  89          1HB       GLN  89  -0.992   7.815   7.950
  711   2HB   GLN  89          2HB       GLN  89  -1.124   6.840   6.486
  712   1HG   GLN  89          1HG       GLN  89   0.252   8.526   5.703
  713   2HG   GLN  89          2HG       GLN  89  -1.321   9.234   5.335
  714   1HE2  GLN  89          1HE2      GLN  89   1.620   9.782   7.057
  715   2HE2  GLN  89          2HE2      GLN  89   1.084  11.101   7.981
  716    H    ILE  90           H        ILE  90  -3.446   5.509   6.722
  717    HA   ILE  90           HA       ILE  90  -3.821   5.373   3.838
  718    HB   ILE  90           HB       ILE  90  -4.730   3.523   6.082
  719   1HG1  ILE  90          1HG1      ILE  90  -2.284   3.849   6.019
  720   2HG1  ILE  90          2HG1      ILE  90  -2.704   2.224   5.487
  721   1HG2  ILE  90          2HG2      ILE  90  -5.947   3.175   3.927
  722   2HG2  ILE  90          1HG2      ILE  90  -4.395   2.933   3.125
  723   3HG2  ILE  90          3HG2      ILE  90  -4.931   1.801   4.366
  724   1HD1  ILE  90          3HD1      ILE  90  -2.602   3.071   3.106
  725   2HD1  ILE  90          2HD1      ILE  90  -1.955   4.585   3.739
  726   3HD1  ILE  90          1HD1      ILE  90  -1.053   3.084   3.951
  727    H    THR  91           H        THR  91  -6.089   5.650   6.617
  728    HA   THR  91           HA       THR  91  -8.525   5.488   5.106
  729    HB   THR  91           HB       THR  91  -8.468   7.375   7.392
  730    HG1  THR  91           HG1      THR  91  -7.851   5.836   8.857
  731   1HG2  THR  91          3HG2      THR  91  -9.992   4.909   6.565
  732   2HG2  THR  91          2HG2      THR  91 -10.167   5.590   8.182
  733   3HG2  THR  91          1HG2      THR  91 -10.592   6.555   6.769
  734    H    GLN  92           H        GLN  92  -6.389   8.276   5.818
  735    HA   GLN  92           HA       GLN  92  -8.081  10.349   4.791
  736   1HB   GLN  92          1HB       GLN  92  -5.719  10.360   5.994
  737   2HB   GLN  92          2HB       GLN  92  -5.106  10.382   4.340
  738   1HG   GLN  92          1HG       GLN  92  -6.133  12.446   3.855
  739   2HG   GLN  92          2HG       GLN  92  -7.250  12.311   5.214
  740   1HE2  GLN  92          1HE2      GLN  92  -5.183  14.497   4.587
  741   2HE2  GLN  92          2HE2      GLN  92  -4.228  14.578   5.987
  742    H    HIS  93           H        HIS  93  -5.766   8.189   3.088
  743    HA   HIS  93           HA       HIS  93  -5.941   9.427   0.503
  744   1HB   HIS  93          1HB       HIS  93  -5.134   6.789   1.614
  745   2HB   HIS  93          2HB       HIS  93  -5.607   6.770  -0.083
  746    HD1  HIS  93           HD1      HIS  93  -3.756   7.298  -1.647
  747    HD2  HIS  93           HD2      HIS  93  -3.142   9.064   2.072
  748    HE1  HIS  93           HE1      HIS  93  -1.520   8.474  -1.775
  749    H    ILE  94           H        ILE  94  -7.907   6.732   1.889
  750    HA   ILE  94           HA       ILE  94  -9.608   6.441  -0.426
  751    HB   ILE  94           HB       ILE  94 -10.102   5.854   2.518
  752   1HG1  ILE  94          1HG1      ILE  94  -9.525   3.777   0.447
  753   2HG1  ILE  94          2HG1      ILE  94  -8.181   4.773   1.003
  754   1HG2  ILE  94          2HG2      ILE  94 -12.213   5.964   1.204
  755   2HG2  ILE  94          1HG2      ILE  94 -11.544   4.800   0.061
  756   3HG2  ILE  94          3HG2      ILE  94 -11.854   4.319   1.729
  757   1HD1  ILE  94          3HD1      ILE  94 -10.044   3.205   2.807
  758   2HD1  ILE  94          2HD1      ILE  94  -8.414   2.707   2.350
  759   3HD1  ILE  94          1HD1      ILE  94  -8.652   4.157   3.326
  760    H    ALA  95           H        ALA  95  -9.879   8.508   2.488
  761    HA   ALA  95           HA       ALA  95 -12.507   9.548   1.872
  762   1HB   ALA  95          3HB       ALA  95 -10.166  10.693   3.435
  763   2HB   ALA  95          2HB       ALA  95 -11.774  11.417   3.419
  764   3HB   ALA  95          1HB       ALA  95 -11.540   9.804   4.093
  765    H    ASP  96           H        ASP  96  -9.210  10.658   1.006
  766    HA   ASP  96           HA       ASP  96 -10.159  13.027  -0.431
  767   1HB   ASP  96          1HB       ASP  96  -7.852  12.760   0.497
  768   2HB   ASP  96          2HB       ASP  96  -7.551  11.476  -0.674
  769    H    LEU  97           H        LEU  97  -9.252   9.682  -1.378
  770    HA   LEU  97           HA       LEU  97  -9.615  10.095  -4.232
  771   1HB   LEU  97          1HB       LEU  97  -8.326   8.225  -3.201
  772   2HB   LEU  97          2HB       LEU  97  -9.830   7.559  -2.566
  773    HG   LEU  97           HG       LEU  97 -10.694   7.407  -4.911
  774   1HD1  LEU  97          1HD1      LEU  97  -7.956   8.527  -5.441
  775   2HD1  LEU  97          3HD1      LEU  97  -8.705   7.462  -6.631
  776   3HD1  LEU  97          2HD1      LEU  97  -9.499   8.968  -6.172
  777   1HD2  LEU  97          2HD2      LEU  97  -9.175   5.642  -3.575
  778   2HD2  LEU  97          1HD2      LEU  97  -9.725   5.334  -5.222
  779   3HD2  LEU  97          3HD2      LEU  97  -8.093   5.939  -4.936
  780    H    SER  98           H        SER  98 -11.858   9.180  -1.584
  781    HA   SER  98           HA       SER  98 -14.049   8.740  -3.559
  782   1HB   SER  98          1HB       SER  98 -13.864   7.162  -1.722
  783   2HB   SER  98          2HB       SER  98 -13.819   8.469  -0.542
  784    HG   SER  98           HG       SER  98 -15.931   8.861  -0.884
  785    H    SER  99           H        SER  99 -13.643  10.708  -0.538
  786    HA   SER  99           HA       SER  99 -14.600  12.782   0.053
  787   1HB   SER  99          1HB       SER  99 -14.549  13.324  -2.917
  788   2HB   SER  99          2HB       SER  99 -14.231  14.446  -1.597
  789    HG   SER  99           HG       SER  99 -12.257  13.865  -2.341
  790    H    LYS 100           H        LYS 100 -16.460  14.460  -1.240
  791    HA   LYS 100           HA       LYS 100 -18.786  14.682  -1.543
  792   1HB   LYS 100          1HB       LYS 100 -17.813  12.425  -3.206
  793   2HB   LYS 100          2HB       LYS 100 -19.559  12.490  -2.972
  794   1HG   LYS 100          1HG       LYS 100 -19.327  15.007  -3.575
  795   2HG   LYS 100          2HG       LYS 100 -17.753  14.550  -4.228
  796   1HD   LYS 100          1HD       LYS 100 -18.969  14.143  -6.122
  797   2HD   LYS 100          2HD       LYS 100 -19.292  12.604  -5.323
  798   1HE   LYS 100          1HE       LYS 100 -21.109  14.789  -4.502
  799   2HE   LYS 100          2HE       LYS 100 -21.260  14.298  -6.201
  800   1HZ   LYS 100          3HZ       LYS 100 -21.224  11.952  -5.384
  801   2HZ   LYS 100          2HZ       LYS 100 -21.373  12.553  -3.802
  802   3HZ   LYS 100          1HZ       LYS 100 -22.607  12.826  -4.938
  803    H    ALA 101           H        ALA 101 -19.079  14.283   0.871
  804    HA   ALA 101           HA       ALA 101 -20.319  11.600   1.406
  805   1HB   ALA 101          3HB       ALA 101 -18.869  13.596   3.174
  806   2HB   ALA 101          1HB       ALA 101 -18.294  12.001   2.688
  807   3HB   ALA 101          2HB       ALA 101 -19.668  12.146   3.784
  808    H    ALA 102           H        ALA 102 -20.493  15.026   2.590
  809    HA   ALA 102           HA       ALA 102 -23.476  14.691   2.714
  810   1HB   ALA 102          3HB       ALA 102 -21.455  15.918   4.590
  811   2HB   ALA 102          2HB       ALA 102 -23.152  16.393   4.656
  812   3HB   ALA 102          1HB       ALA 102 -22.694  14.715   4.948
  813    H    GLY 103           H        GLY 103 -21.091  17.407   2.964
  814   1HA   GLY 103          2HA       GLY 103 -22.329  19.594   2.157
  815   2HA   GLY 103          1HA       GLY 103 -22.435  18.696   0.642
  816    H    THR 104           H        THR 104 -20.149  17.743  -0.060
  817    HA   THR 104           HA       THR 104 -18.270  20.029  -0.054
  818    HB   THR 104           HB       THR 104 -17.736  18.790   2.003
  819    HG1  THR 104           HG1      THR 104 -15.966  19.611   0.984
  820   1HG2  THR 104          2HG2      THR 104 -18.669  16.590   1.022
  821   2HG2  THR 104          1HG2      THR 104 -17.076  16.391   0.294
  822   3HG2  THR 104          3HG2      THR 104 -17.240  16.478   2.048
  823    HA   PRO 105           HA       PRO 105 -18.352  17.163  -3.805
  824   1HB   PRO 105          1HB       PRO 105 -19.460  18.904  -5.603
  825   2HB   PRO 105          2HB       PRO 105 -20.428  17.797  -4.609
  826   1HG   PRO 105          1HG       PRO 105 -19.899  20.701  -4.238
  827   2HG   PRO 105          2HG       PRO 105 -21.385  19.779  -3.961
  828   1HD   PRO 105          1HD       PRO 105 -19.701  20.564  -1.963
  829   2HD   PRO 105          2HD       PRO 105 -20.743  19.127  -1.864
  830    H    LYS 106           H        LYS 106 -16.110  17.271  -4.239
  831    HA   LYS 106           HA       LYS 106 -15.105  19.834  -5.436
  832   1HB   LYS 106          1HB       LYS 106 -13.913  17.976  -3.365
  833   2HB   LYS 106          2HB       LYS 106 -12.929  19.141  -4.252
  834   1HG   LYS 106          1HG       LYS 106 -14.062  20.989  -3.327
  835   2HG   LYS 106          2HG       LYS 106 -15.441  20.007  -2.829
  836   1HD   LYS 106          1HD       LYS 106 -14.238  20.407  -0.823
  837   2HD   LYS 106          2HD       LYS 106 -13.786  18.769  -1.295
  838   1HE   LYS 106          1HE       LYS 106 -11.770  19.797  -2.485
  839   2HE   LYS 106          2HE       LYS 106 -12.165  21.306  -1.637
  840   1HZ   LYS 106          2HZ       LYS 106 -11.884  18.684  -0.275
  841   2HZ   LYS 106          1HZ       LYS 106 -10.618  19.810  -0.397
  842   3HZ   LYS 106          3HZ       LYS 106 -12.030  20.212   0.452
  843    H    LYS 107           H        LYS 107 -13.632  19.544  -7.221
  844    HA   LYS 107           HA       LYS 107 -12.960  16.736  -7.985
  845   1HB   LYS 107          1HB       LYS 107 -14.634  18.766  -9.444
  846   2HB   LYS 107          2HB       LYS 107 -13.707  17.581 -10.364
  847   1HG   LYS 107          1HG       LYS 107 -14.782  15.758  -9.068
  848   2HG   LYS 107          2HG       LYS 107 -15.744  16.958  -8.205
  849   1HD   LYS 107          1HD       LYS 107 -16.638  17.735 -10.426
  850   2HD   LYS 107          2HD       LYS 107 -15.806  16.373 -11.177
  851   1HE   LYS 107          1HE       LYS 107 -17.070  14.863  -9.538
  852   2HE   LYS 107          2HE       LYS 107 -18.072  16.281  -9.168
  853   1HZ   LYS 107          2HZ       LYS 107 -17.538  15.304 -11.922
  854   2HZ   LYS 107          1HZ       LYS 107 -18.933  14.904 -11.037
  855   3HZ   LYS 107          3HZ       LYS 107 -18.631  16.519 -11.458
  856    H    LYS 108           H        LYS 108 -10.922  16.601  -9.045
  857    HA   LYS 108           HA       LYS 108  -8.786  17.337  -9.723
  858   1HB   LYS 108          1HB       LYS 108 -10.859  19.022 -11.010
  859   2HB   LYS 108          2HB       LYS 108  -9.220  19.671 -11.071
  860   1HG   LYS 108          1HG       LYS 108  -9.576  16.779 -11.718
  861   2HG   LYS 108          2HG       LYS 108 -10.119  17.954 -12.917
  862   1HD   LYS 108          1HD       LYS 108  -7.993  18.690 -13.363
  863   2HD   LYS 108          2HD       LYS 108  -7.448  18.441 -11.704
  864   1HE   LYS 108          1HE       LYS 108  -8.146  16.016 -13.323
  865   2HE   LYS 108          2HE       LYS 108  -6.601  16.829 -13.644
  866   1HZ   LYS 108          2HZ       LYS 108  -6.236  16.842 -11.197
  867   2HZ   LYS 108          1HZ       LYS 108  -7.600  15.843 -11.027
  868   3HZ   LYS 108          3HZ       LYS 108  -6.243  15.286 -11.879
  869    H    ALA 109           H        ALA 109  -8.186  17.802  -7.391
  870    HA   ALA 109           HA       ALA 109  -7.826  20.748  -6.961
  871   1HB   ALA 109          3HB       ALA 109  -8.190  20.072  -4.484
  872   2HB   ALA 109          2HB       ALA 109  -9.611  20.129  -5.526
  873   3HB   ALA 109          1HB       ALA 109  -8.867  18.579  -5.135
  874    H    VAL 110           H        VAL 110  -5.605  21.131  -6.889
  875    HA   VAL 110           HA       VAL 110  -3.893  19.065  -5.548
  876    HB   VAL 110           HB       VAL 110  -3.735  18.940  -8.008
  877   1HG1  VAL 110          2HG1      VAL 110  -3.096  21.886  -7.741
  878   2HG1  VAL 110          1HG1      VAL 110  -2.703  20.953  -9.185
  879   3HG1  VAL 110          3HG1      VAL 110  -4.384  21.141  -8.687
  880   1HG2  VAL 110          2HG2      VAL 110  -1.689  18.769  -6.407
  881   2HG2  VAL 110          1HG2      VAL 110  -1.383  18.939  -8.135
  882   3HG2  VAL 110          3HG2      VAL 110  -1.233  20.337  -7.072
  883    H    VAL 111           H        VAL 111  -2.164  19.946  -4.260
  884    HA   VAL 111           HA       VAL 111  -1.956  22.930  -4.165
  885    HB   VAL 111           HB       VAL 111  -2.057  22.752  -1.682
  886   1HG1  VAL 111          1HG1      VAL 111  -4.111  23.014  -3.251
  887   2HG1  VAL 111          3HG1      VAL 111  -4.474  21.347  -2.807
  888   3HG1  VAL 111          2HG1      VAL 111  -4.403  22.595  -1.563
  889   1HG2  VAL 111          2HG2      VAL 111  -1.253  20.368  -1.596
  890   2HG2  VAL 111          1HG2      VAL 111  -2.696  20.657  -0.624
  891   3HG2  VAL 111          3HG2      VAL 111  -2.833  19.862  -2.193
  892    H    GLN 112           H        GLN 112   0.184  23.668  -3.709
  893    HA   GLN 112           HA       GLN 112   2.242  21.511  -3.346
  894   1HB   GLN 112          1HB       GLN 112   2.002  23.954  -5.055
  895   2HB   GLN 112          2HB       GLN 112   3.613  23.509  -4.489
  896   1HG   GLN 112          1HG       GLN 112   1.749  21.536  -5.826
  897   2HG   GLN 112          2HG       GLN 112   2.922  22.499  -6.725
  898   1HE2  GLN 112          1HE2      GLN 112   2.974  19.520  -6.380
  899   2HE2  GLN 112          2HE2      GLN 112   4.439  19.178  -5.593
  900    H    ALA 113           H        ALA 113   2.739  21.638  -1.112
  901    HA   ALA 113           HA       ALA 113   3.324  24.375  -0.024
  902   1HB   ALA 113          1HB       ALA 113   2.373  21.823   1.319
  903   2HB   ALA 113          2HB       ALA 113   1.385  23.244   0.981
  904   3HB   ALA 113          3HB       ALA 113   2.697  23.341   2.156
  905    H    LYS 114           H        LYS 114   5.411  24.687   0.844
  906    HA   LYS 114           HA       LYS 114   7.171  22.258   1.016
  907   1HB   LYS 114          1HB       LYS 114   7.759  25.106   0.141
  908   2HB   LYS 114          2HB       LYS 114   8.972  23.833   0.284
  909   1HG   LYS 114          1HG       LYS 114   6.510  23.385  -1.385
  910   2HG   LYS 114          2HG       LYS 114   7.879  24.276  -2.050
  911   1HD   LYS 114          1HD       LYS 114   9.372  22.395  -1.584
  912   2HD   LYS 114          2HD       LYS 114   8.049  21.507  -0.827
  913   1HE   LYS 114          1HE       LYS 114   6.891  22.030  -3.211
  914   2HE   LYS 114          2HE       LYS 114   8.592  21.977  -3.716
  915   1HZ   LYS 114          1HZ       LYS 114   7.235  19.927  -2.045
  916   2HZ   LYS 114          3HZ       LYS 114   7.595  19.755  -3.693
  917   3HZ   LYS 114          2HZ       LYS 114   8.853  19.883  -2.559
  918    H    LEU 115           H        LEU 115   7.445  21.901   3.245
  919    HA   LEU 115           HA       LEU 115   7.960  24.313   4.959
  920   1HB   LEU 115          1HB       LEU 115   6.389  21.799   5.242
  921   2HB   LEU 115          2HB       LEU 115   7.226  22.365   6.689
  922    HG   LEU 115           HG       LEU 115   6.200  24.652   6.239
  923   1HD1  LEU 115          1HD1      LEU 115   4.769  22.964   4.189
  924   2HD1  LEU 115          3HD1      LEU 115   4.015  24.406   4.868
  925   3HD1  LEU 115          2HD1      LEU 115   5.530  24.540   3.976
  926   1HD2  LEU 115          1HD2      LEU 115   4.453  22.249   6.840
  927   2HD2  LEU 115          3HD2      LEU 115   5.295  23.276   8.002
  928   3HD2  LEU 115          2HD2      LEU 115   3.928  23.915   7.088
  929    H    THR 116           H        THR 116   9.930  24.324   6.108
  930    HA   THR 116           HA       THR 116  11.600  21.834   5.930
  931    HB   THR 116           HB       THR 116  13.502  23.501   5.936
  932    HG1  THR 116           HG1      THR 116  12.991  25.639   5.681
  933   1HG2  THR 116          2HG2      THR 116  11.393  23.444   3.792
  934   2HG2  THR 116          1HG2      THR 116  12.836  24.439   3.591
  935   3HG2  THR 116          3HG2      THR 116  12.990  22.694   3.798
  936    H    THR 117           H        THR 117  12.628  21.155   7.882
  937    HA   THR 117           HA       THR 117  12.133  22.860  10.303
  938    HB   THR 117           HB       THR 117  12.022  19.835  10.130
  939    HG1  THR 117           HG1      THR 117   9.844  20.048   9.951
  940   1HG2  THR 117          3HG2      THR 117  12.410  21.262  12.331
  941   2HG2  THR 117          2HG2      THR 117  10.669  21.509  12.207
  942   3HG2  THR 117          1HG2      THR 117  11.321  19.875  12.336

  No H/Q in entry =         942
  Start of MODEL    2
    1    H1   MET   1           H        MET   1 -15.880 -13.134 -14.195
    2    H2   MET   1           HN2      MET   1 -15.829 -11.795 -15.239
    3    HA   MET   1           HA       MET   1 -16.760 -10.381 -13.478
    4   1HB   MET   1          1HB       MET   1 -16.943 -13.114 -12.313
    5   2HB   MET   1          2HB       MET   1 -16.549 -11.811 -11.191
    6   1HG   MET   1          1HG       MET   1 -18.524 -10.536 -12.096
    7   2HG   MET   1          2HG       MET   1 -18.960 -11.974 -13.020
    8   1HE   MET   1          1HE       MET   1 -20.609 -10.439 -11.392
    9   2HE   MET   1          3HE       MET   1 -21.599 -11.885 -11.147
   10   3HE   MET   1          2HE       MET   1 -21.045 -10.948  -9.762
   11    H    ALA   2           H        ALA   2 -15.307  -9.999 -11.240
   12    HA   ALA   2           HA       ALA   2 -12.460 -10.479 -12.073
   13   1HB   ALA   2          2HB       ALA   2 -14.026  -8.129 -11.155
   14   2HB   ALA   2          3HB       ALA   2 -12.633  -8.197 -12.236
   15   3HB   ALA   2          1HB       ALA   2 -12.399  -8.267 -10.489
   16    H    GLU   3           H        GLU   3 -11.447 -11.892 -10.636
   17    HA   GLU   3           HA       GLU   3 -12.292 -11.777  -7.756
   18   1HB   GLU   3          1HB       GLU   3 -12.747 -13.813  -9.469
   19   2HB   GLU   3          2HB       GLU   3 -11.123 -14.252  -8.937
   20   1HG   GLU   3          1HG       GLU   3 -11.777 -14.539  -6.721
   21   2HG   GLU   3          2HG       GLU   3 -13.168 -13.468  -6.886
   22    H    GLN   4           H        GLN   4 -10.504 -10.337  -7.172
   23    HA   GLN   4           HA       GLN   4  -7.803 -11.628  -7.401
   24   1HB   GLN   4          1HB       GLN   4  -8.607  -8.706  -7.585
   25   2HB   GLN   4          2HB       GLN   4  -6.944  -9.295  -7.618
   26   1HG   GLN   4          1HG       GLN   4  -7.411 -10.584  -9.648
   27   2HG   GLN   4          2HG       GLN   4  -9.100 -10.079  -9.601
   28   1HE2  GLN   4          1HE2      GLN   4  -8.989  -8.868 -11.643
   29   2HE2  GLN   4          2HE2      GLN   4  -8.090  -7.433 -11.765
   30    H    ARG   5           H        ARG   5  -6.325 -11.059  -5.561
   31    HA   ARG   5           HA       ARG   5  -7.853 -10.286  -3.093
   32   1HB   ARG   5          1HB       ARG   5  -5.869 -12.422  -3.771
   33   2HB   ARG   5          2HB       ARG   5  -5.842 -11.765  -2.133
   34   1HG   ARG   5          1HG       ARG   5  -8.452 -12.601  -3.374
   35   2HG   ARG   5          2HG       ARG   5  -7.392 -13.810  -2.648
   36   1HD   ARG   5          1HD       ARG   5  -7.798 -11.397  -0.983
   37   2HD   ARG   5          2HD       ARG   5  -9.250 -12.389  -1.227
   38    HE   ARG   5           HE       ARG   5  -6.653 -13.527  -0.253
   39   1HH1  ARG   5          1HH1      ARG   5  -9.277 -12.662   1.332
   40   2HH1  ARG   5          2HH1      ARG   5  -9.883 -14.239   1.715
   41   1HH2  ARG   5          1HH2      ARG   5  -7.778 -15.878  -0.500
   42   2HH2  ARG   5          2HH2      ARG   5  -9.035 -16.059   0.678
   43    H    PHE   6           H        PHE   6  -6.916  -8.640  -1.813
   44    HA   PHE   6           HA       PHE   6  -4.263  -7.577  -2.745
   45   1HB   PHE   6          1HB       PHE   6  -6.908  -6.409  -2.165
   46   2HB   PHE   6          2HB       PHE   6  -5.571  -5.540  -1.415
   47    HD1  PHE   6           HD1      PHE   6  -3.710  -4.649  -2.819
   48    HD2  PHE   6           HD2      PHE   6  -7.237  -6.386  -4.543
   49    HE1  PHE   6           HE1      PHE   6  -3.163  -3.594  -4.990
   50    HE2  PHE   6           HE2      PHE   6  -6.689  -5.334  -6.720
   51    HZ   PHE   6           HZ       PHE   6  -4.651  -3.937  -6.946
   52    H    CYS   7           H        CYS   7  -2.777  -6.895  -1.073
   53    HA   CYS   7           HA       CYS   7  -3.559  -7.604   1.737
   54   1HB   CYS   7          1HB       CYS   7  -1.136  -8.402   0.102
   55   2HB   CYS   7          2HB       CYS   7  -1.174  -8.535   1.859
   56    HG   CYS   7           HG       CYS   7  -3.591  -9.897   0.649
   57    H    VAL   8           H        VAL   8  -2.281  -6.393   3.375
   58    HA   VAL   8           HA       VAL   8  -1.108  -3.861   2.260
   59    HB   VAL   8           HB       VAL   8  -2.263  -4.510   5.000
   60   1HG1  VAL   8          3HG1      VAL   8  -1.437  -1.880   3.733
   61   2HG1  VAL   8          2HG1      VAL   8  -2.225  -2.050   5.301
   62   3HG1  VAL   8          1HG1      VAL   8  -0.603  -2.697   5.054
   63   1HG2  VAL   8          2HG2      VAL   8  -3.909  -4.518   3.082
   64   2HG2  VAL   8          1HG2      VAL   8  -4.225  -3.286   4.304
   65   3HG2  VAL   8          3HG2      VAL   8  -3.466  -2.839   2.775
   66    H    ASP   9           H        ASP   9   1.074  -3.398   2.744
   67    HA   ASP   9           HA       ASP   9   2.386  -4.873   4.972
   68   1HB   ASP   9          1HB       ASP   9   2.454  -6.157   2.750
   69   2HB   ASP   9          2HB       ASP   9   3.506  -4.868   2.160
   70    H    TYR  10           H        TYR  10   4.391  -3.861   5.662
   71    HA   TYR  10           HA       TYR  10   4.729  -1.050   4.647
   72   1HB   TYR  10          1HB       TYR  10   4.418  -2.258   7.237
   73   2HB   TYR  10          2HB       TYR  10   6.033  -1.561   7.159
   74    HD1  TYR  10           HD1      TYR  10   2.844  -0.848   8.184
   75    HD2  TYR  10           HD2      TYR  10   5.938   0.838   5.729
   76    HE1  TYR  10           HE1      TYR  10   1.888   1.412   8.529
   77    HE2  TYR  10           HE2      TYR  10   4.983   3.098   6.077
   78    HH   TYR  10           HH       TYR  10   3.458   4.162   8.059
   79    H    ALA  11           H        ALA  11   6.910  -0.324   4.180
   80    HA   ALA  11           HA       ALA  11   8.750  -2.429   3.311
   81   1HB   ALA  11          2HB       ALA  11   9.399   0.505   3.717
   82   2HB   ALA  11          1HB       ALA  11  10.099  -0.605   2.539
   83   3HB   ALA  11          3HB       ALA  11   8.433  -0.058   2.353
   84    H    LYS  12           H        LYS  12  10.390  -3.404   4.526
   85    HA   LYS  12           HA       LYS  12  11.283  -2.017   7.025
   86   1HB   LYS  12          1HB       LYS  12  10.037  -4.720   6.620
   87   2HB   LYS  12          2HB       LYS  12  11.209  -4.507   7.921
   88   1HG   LYS  12          1HG       LYS  12   8.796  -2.716   7.531
   89   2HG   LYS  12          2HG       LYS  12   8.816  -4.107   8.616
   90   1HD   LYS  12          1HD       LYS  12  10.928  -3.029   9.646
   91   2HD   LYS  12          2HD       LYS  12  10.428  -1.564   8.802
   92   1HE   LYS  12          1HE       LYS  12   9.245  -1.207  10.750
   93   2HE   LYS  12          2HE       LYS  12   8.067  -2.281   9.967
   94   1HZ   LYS  12          3HZ       LYS  12   9.194  -4.179  10.961
   95   2HZ   LYS  12          2HZ       LYS  12  10.298  -3.144  11.735
   96   3HZ   LYS  12          1HZ       LYS  12   8.654  -3.111  12.164
   97    H    ARG  13           H        ARG  13  11.934  -5.166   5.355
   98    HA   ARG  13           HA       ARG  13  14.848  -4.440   5.411
   99   1HB   ARG  13          1HB       ARG  13  13.905  -6.344   6.853
  100   2HB   ARG  13          2HB       ARG  13  13.620  -7.205   5.339
  101   1HG   ARG  13          1HG       ARG  13  16.098  -6.717   4.809
  102   2HG   ARG  13          2HG       ARG  13  16.252  -6.323   6.522
  103   1HD   ARG  13          1HD       ARG  13  15.972  -8.514   7.190
  104   2HD   ARG  13          2HD       ARG  13  14.888  -8.894   5.838
  105    HE   ARG  13           HE       ARG  13  16.908  -8.864   4.357
  106   1HH1  ARG  13          1HH1      ARG  13  18.155 -10.963   4.783
  107   2HH1  ARG  13          2HH1      ARG  13  19.365 -10.806   6.013
  108   1HH2  ARG  13          1HH2      ARG  13  18.106  -7.819   7.243
  109   2HH2  ARG  13          2HH2      ARG  13  19.337  -9.026   7.406
  110    H    GLY  14           H        GLY  14  15.409  -3.814   3.301
  111   1HA   GLY  14          2HA       GLY  14  14.538  -5.636   1.099
  112   2HA   GLY  14          1HA       GLY  14  16.015  -4.671   1.079
  113    H    THR  15           H        THR  15  15.562  -3.406  -0.787
  114    HA   THR  15           HA       THR  15  13.172  -1.601  -0.554
  115    HB   THR  15           HB       THR  15  15.752  -1.072  -2.045
  116    HG1  THR  15           HG1      THR  15  16.582  -0.240  -0.207
  117   1HG2  THR  15          2HG2      THR  15  13.453   0.283  -2.158
  118   2HG2  THR  15          1HG2      THR  15  14.097   1.005  -0.684
  119   3HG2  THR  15          3HG2      THR  15  15.012   1.106  -2.189
  120    H    ALA  16           H        ALA  16  11.747  -1.582  -2.338
  121    HA   ALA  16           HA       ALA  16  12.694  -2.760  -4.910
  122   1HB   ALA  16          2HB       ALA  16  11.142  -4.485  -4.849
  123   2HB   ALA  16          3HB       ALA  16  10.033  -3.583  -3.816
  124   3HB   ALA  16          1HB       ALA  16  11.474  -4.329  -3.125
  125    H    GLY  17           H        GLY  17  11.618  -1.859  -6.742
  126   1HA   GLY  17          2HA       GLY  17  10.433  -0.193  -7.891
  127   2HA   GLY  17          1HA       GLY  17  10.265   0.657  -6.355
  128    H    CYS  18           H        CYS  18   7.996   1.140  -6.970
  129    HA   CYS  18           HA       CYS  18   6.216  -1.124  -6.232
  130   1HB   CYS  18          1HB       CYS  18   5.012   0.519  -5.210
  131   2HB   CYS  18          2HB       CYS  18   6.355   1.591  -5.570
  132    H    LYS  19           H        LYS  19   4.613  -1.959  -7.682
  133    HA   LYS  19           HA       LYS  19   5.224  -2.063 -10.450
  134   1HB   LYS  19          1HB       LYS  19   2.982  -2.820  -8.709
  135   2HB   LYS  19          2HB       LYS  19   2.447  -2.398 -10.334
  136   1HG   LYS  19          1HG       LYS  19   4.730  -4.309  -9.788
  137   2HG   LYS  19          2HG       LYS  19   3.062  -4.834 -10.024
  138   1HD   LYS  19          1HD       LYS  19   3.134  -3.481 -12.218
  139   2HD   LYS  19          2HD       LYS  19   4.885  -3.459 -11.999
  140   1HE   LYS  19          1HE       LYS  19   5.093  -5.754 -12.336
  141   2HE   LYS  19          2HE       LYS  19   3.438  -6.085 -11.787
  142   1HZ   LYS  19          3HZ       LYS  19   4.055  -4.505 -14.221
  143   2HZ   LYS  19          2HZ       LYS  19   3.765  -6.179 -14.258
  144   3HZ   LYS  19          1HZ       LYS  19   2.548  -5.114 -13.739
  145    H    LYS  20           H        LYS  20   4.450  -0.903 -12.325
  146    HA   LYS  20           HA       LYS  20   3.779   1.038 -13.493
  147   1HB   LYS  20          1HB       LYS  20   1.734   0.610 -11.312
  148   2HB   LYS  20          2HB       LYS  20   1.586   1.991 -12.403
  149   1HG   LYS  20          1HG       LYS  20   2.135  -0.634 -13.686
  150   2HG   LYS  20          2HG       LYS  20   0.536  -0.437 -12.968
  151   1HD   LYS  20          1HD       LYS  20   0.231   1.663 -14.247
  152   2HD   LYS  20          2HD       LYS  20   1.812   1.428 -14.991
  153   1HE   LYS  20          1HE       LYS  20   0.847  -0.924 -15.673
  154   2HE   LYS  20          2HE       LYS  20  -0.722  -0.136 -15.416
  155   1HZ   LYS  20          1HZ       LYS  20   0.136   1.739 -16.791
  156   2HZ   LYS  20          3HZ       LYS  20   1.480   0.782 -17.183
  157   3HZ   LYS  20          2HZ       LYS  20  -0.077   0.291 -17.654
  158    H    CYS  21           H        CYS  21   5.994   1.794 -12.192
  159    HA   CYS  21           HA       CYS  21   5.494   4.545 -11.330
  160   1HB   CYS  21          1HB       CYS  21   4.720   3.208  -9.397
  161   2HB   CYS  21          2HB       CYS  21   6.293   2.430  -9.311
  162    H    LYS  22           H        LYS  22   7.464   5.762 -11.189
  163    HA   LYS  22           HA       LYS  22   9.965   4.252 -11.892
  164   1HB   LYS  22          1HB       LYS  22   8.706   6.806 -12.678
  165   2HB   LYS  22          2HB       LYS  22  10.418   6.963 -12.284
  166   1HG   LYS  22          1HG       LYS  22   9.564   4.686 -14.030
  167   2HG   LYS  22          2HG       LYS  22   9.652   6.300 -14.737
  168   1HD   LYS  22          1HD       LYS  22  12.002   6.346 -13.502
  169   2HD   LYS  22          2HD       LYS  22  11.849   4.594 -13.630
  170   1HE   LYS  22          1HE       LYS  22  11.889   4.629 -15.972
  171   2HE   LYS  22          2HE       LYS  22  11.339   6.314 -16.053
  172   1HZ   LYS  22          2HZ       LYS  22  13.923   5.473 -14.855
  173   2HZ   LYS  22          1HZ       LYS  22  13.766   6.030 -16.452
  174   3HZ   LYS  22          3HZ       LYS  22  13.401   7.062 -15.157
  175    H    GLU  23           H        GLU  23   9.096   4.179  -9.209
  176    HA   GLU  23           HA       GLU  23  11.027   6.020  -7.854
  177   1HB   GLU  23          1HB       GLU  23   8.363   6.348  -7.829
  178   2HB   GLU  23          2HB       GLU  23   8.488   5.163  -6.533
  179   1HG   GLU  23          1HG       GLU  23   9.523   6.623  -5.118
  180   2HG   GLU  23          2HG       GLU  23  10.451   7.377  -6.415
  181    H    LYS  24           H        LYS  24  10.968   5.009  -5.300
  182    HA   LYS  24           HA       LYS  24  11.359   2.051  -5.558
  183   1HB   LYS  24          1HB       LYS  24  13.233   4.247  -4.766
  184   2HB   LYS  24          2HB       LYS  24  13.386   2.691  -3.951
  185   1HG   LYS  24          1HG       LYS  24  14.733   2.231  -5.750
  186   2HG   LYS  24          2HG       LYS  24  13.187   1.826  -6.497
  187   1HD   LYS  24          1HD       LYS  24  13.924   3.306  -8.088
  188   2HD   LYS  24          2HD       LYS  24  13.213   4.477  -6.977
  189   1HE   LYS  24          1HE       LYS  24  15.404   4.845  -5.919
  190   2HE   LYS  24          2HE       LYS  24  16.134   3.631  -6.987
  191   1HZ   LYS  24          3HZ       LYS  24  14.657   6.026  -7.937
  192   2HZ   LYS  24          2HZ       LYS  24  16.350   5.924  -7.847
  193   3HZ   LYS  24          1HZ       LYS  24  15.489   4.902  -8.896
  194    H    ILE  25           H        ILE  25  11.074   0.891  -3.528
  195    HA   ILE  25           HA       ILE  25   9.566   2.473  -1.471
  196    HB   ILE  25           HB       ILE  25   9.640  -0.512  -2.054
  197   1HG1  ILE  25          1HG1      ILE  25   7.436   1.478  -2.674
  198   2HG1  ILE  25          2HG1      ILE  25   8.639   0.976  -3.862
  199   1HG2  ILE  25          3HG2      ILE  25   8.986   0.500   0.298
  200   2HG2  ILE  25          2HG2      ILE  25   7.481   0.906  -0.529
  201   3HG2  ILE  25          1HG2      ILE  25   8.003  -0.776  -0.422
  202   1HD1  ILE  25          2HD1      ILE  25   6.901  -0.983  -2.342
  203   2HD1  ILE  25          1HD1      ILE  25   6.467  -0.337  -3.925
  204   3HD1  ILE  25          3HD1      ILE  25   7.923  -1.316  -3.740
  205    H    VAL  26           H        VAL  26  10.922   3.026   0.245
  206    HA   VAL  26           HA       VAL  26  13.024   1.041   1.058
  207    HB   VAL  26           HB       VAL  26  13.752   3.289   0.249
  208   1HG1  VAL  26          1HG1      VAL  26  11.634   4.161   2.019
  209   2HG1  VAL  26          3HG1      VAL  26  13.157   4.916   2.492
  210   3HG1  VAL  26          2HG1      VAL  26  12.554   5.101   0.846
  211   1HG2  VAL  26          3HG2      VAL  26  14.869   1.887   2.153
  212   2HG2  VAL  26          2HG2      VAL  26  15.398   3.550   1.897
  213   3HG2  VAL  26          1HG2      VAL  26  14.283   3.171   3.210
  214    H    LYS  27           H        LYS  27  13.425   0.855   3.423
  215    HA   LYS  27           HA       LYS  27  11.219   0.161   4.990
  216   1HB   LYS  27          1HB       LYS  27  12.738   0.458   6.941
  217   2HB   LYS  27          2HB       LYS  27  13.558  -0.315   5.586
  218   1HG   LYS  27          1HG       LYS  27  14.159   2.196   4.955
  219   2HG   LYS  27          2HG       LYS  27  13.900   2.450   6.680
  220   1HD   LYS  27          1HD       LYS  27  16.170   1.907   6.622
  221   2HD   LYS  27          2HD       LYS  27  15.434   0.337   6.943
  222   1HE   LYS  27          1HE       LYS  27  16.760  -0.279   5.150
  223   2HE   LYS  27          2HE       LYS  27  15.366   0.320   4.229
  224   1HZ   LYS  27          2HZ       LYS  27  17.618   2.034   5.130
  225   2HZ   LYS  27          1HZ       LYS  27  17.516   1.355   3.576
  226   3HZ   LYS  27          3HZ       LYS  27  16.349   2.472   4.088
  227    H    GLY  28           H        GLY  28   9.459   1.353   5.709
  228   1HA   GLY  28          2HA       GLY  28   9.919   4.253   6.275
  229   2HA   GLY  28          1HA       GLY  28   8.930   3.248   7.329
  230    H    VAL  29           H        VAL  29   8.678   2.700   3.839
  231    HA   VAL  29           HA       VAL  29   6.239   4.414   3.740
  232    HB   VAL  29           HB       VAL  29   6.474   4.268   1.329
  233   1HG1  VAL  29          1HG1      VAL  29   9.162   4.586   2.687
  234   2HG1  VAL  29          3HG1      VAL  29   8.804   5.111   1.042
  235   3HG1  VAL  29          2HG1      VAL  29   7.969   5.855   2.407
  236   1HG2  VAL  29          3HG2      VAL  29   7.141   1.823   1.293
  237   2HG2  VAL  29          2HG2      VAL  29   8.075   2.849   0.209
  238   3HG2  VAL  29          1HG2      VAL  29   8.769   2.325   1.739
  239    H    CYS  30           H        CYS  30   4.170   3.526   3.478
  240    HA   CYS  30           HA       CYS  30   3.911   0.617   3.930
  241   1HB   CYS  30          1HB       CYS  30   2.458   2.326   5.028
  242   2HB   CYS  30          2HB       CYS  30   1.810   2.760   3.449
  243    HG   CYS  30           HG       CYS  30   1.008   0.313   5.075
  244    H    ARG  31           H        ARG  31   3.171  -0.909   2.381
  245    HA   ARG  31           HA       ARG  31   2.506   0.127  -0.344
  246   1HB   ARG  31          1HB       ARG  31   4.055  -1.600  -1.262
  247   2HB   ARG  31          2HB       ARG  31   4.901  -0.422  -0.262
  248   1HG   ARG  31          1HG       ARG  31   4.887  -1.967   1.634
  249   2HG   ARG  31          2HG       ARG  31   3.945  -3.134   0.706
  250   1HD   ARG  31          1HD       ARG  31   5.774  -3.856  -0.463
  251   2HD   ARG  31          2HD       ARG  31   6.450  -2.220  -0.596
  252    HE   ARG  31           HE       ARG  31   7.193  -2.441   1.772
  253   1HH1  ARG  31          1HH1      ARG  31   5.336  -5.147   1.210
  254   2HH1  ARG  31          2HH1      ARG  31   6.508  -6.298   1.763
  255   1HH2  ARG  31          1HH2      ARG  31   9.068  -3.974   2.011
  256   2HH2  ARG  31          2HH2      ARG  31   8.619  -5.633   2.215
  257    H    ILE  32           H        ILE  32   1.104  -1.309  -1.557
  258    HA   ILE  32           HA       ILE  32  -0.234  -3.379   0.155
  259    HB   ILE  32           HB       ILE  32  -1.230  -2.147  -2.439
  260   1HG1  ILE  32          1HG1      ILE  32  -1.817  -1.189   0.393
  261   2HG1  ILE  32          2HG1      ILE  32  -0.735  -0.359  -0.725
  262   1HG2  ILE  32          3HG2      ILE  32  -2.235  -4.272  -1.397
  263   2HG2  ILE  32          2HG2      ILE  32  -2.808  -3.225  -0.099
  264   3HG2  ILE  32          1HG2      ILE  32  -3.352  -2.956  -1.755
  265   1HD1  ILE  32          1HD1      ILE  32  -3.675  -0.920  -1.219
  266   2HD1  ILE  32          3HD1      ILE  32  -2.992   0.645  -0.771
  267   3HD1  ILE  32          2HD1      ILE  32  -2.589  -0.083  -2.327
  268    H    GLY  33           H        GLY  33  -0.454  -5.536  -0.639
  269   1HA   GLY  33          2HA       GLY  33   0.860  -7.286  -1.752
  270   2HA   GLY  33          1HA       GLY  33   1.168  -6.151  -3.066
  271    H    LYS  34           H        LYS  34   0.101  -7.020  -4.864
  272    HA   LYS  34           HA       LYS  34  -2.787  -7.755  -4.479
  273   1HB   LYS  34          1HB       LYS  34  -2.254  -5.691  -5.795
  274   2HB   LYS  34          2HB       LYS  34  -1.334  -6.687  -6.923
  275   1HG   LYS  34          1HG       LYS  34  -3.397  -8.035  -7.344
  276   2HG   LYS  34          2HG       LYS  34  -4.295  -6.916  -6.317
  277   1HD   LYS  34          1HD       LYS  34  -4.675  -5.863  -8.318
  278   2HD   LYS  34          2HD       LYS  34  -3.104  -5.141  -7.968
  279   1HE   LYS  34          1HE       LYS  34  -1.965  -6.749  -9.367
  280   2HE   LYS  34          2HE       LYS  34  -3.452  -7.698  -9.569
  281   1HZ   LYS  34          2HZ       LYS  34  -3.232  -4.834 -10.313
  282   2HZ   LYS  34          1HZ       LYS  34  -2.979  -6.099 -11.419
  283   3HZ   LYS  34          3HZ       LYS  34  -4.496  -5.906 -10.686
  284    H    VAL  35           H        VAL  35  -3.007 -10.002  -4.609
  285    HA   VAL  35           HA       VAL  35  -1.071 -11.511  -6.326
  286    HB   VAL  35           HB       VAL  35  -3.061 -12.424  -4.216
  287   1HG1  VAL  35          2HG1      VAL  35  -2.357 -14.095  -6.012
  288   2HG1  VAL  35          1HG1      VAL  35  -0.719 -13.947  -5.379
  289   3HG1  VAL  35          3HG1      VAL  35  -2.009 -14.569  -4.350
  290   1HG2  VAL  35          3HG2      VAL  35  -1.088 -10.950  -3.484
  291   2HG2  VAL  35          2HG2      VAL  35  -1.222 -12.522  -2.697
  292   3HG2  VAL  35          1HG2      VAL  35  -0.047 -12.279  -3.989
  293    H    VAL  36           H        VAL  36  -1.853 -11.765  -8.433
  294    HA   VAL  36           HA       VAL  36  -4.744 -12.516  -8.719
  295    HB   VAL  36           HB       VAL  36  -4.224 -10.252  -9.545
  296   1HG1  VAL  36          1HG1      VAL  36  -1.863 -11.589 -10.581
  297   2HG1  VAL  36          3HG1      VAL  36  -2.701 -10.724 -11.866
  298   3HG1  VAL  36          2HG1      VAL  36  -2.184  -9.867 -10.416
  299   1HG2  VAL  36          2HG2      VAL  36  -4.745 -12.338 -11.681
  300   2HG2  VAL  36          1HG2      VAL  36  -5.946 -11.457 -10.736
  301   3HG2  VAL  36          3HG2      VAL  36  -4.967 -10.607 -11.931
  302    HA   PRO  37           HA       PRO  37  -3.030 -16.141 -10.621
  303   1HB   PRO  37          1HB       PRO  37  -5.289 -17.151 -11.774
  304   2HB   PRO  37          2HB       PRO  37  -4.984 -17.224 -10.028
  305   1HG   PRO  37          1HG       PRO  37  -6.777 -15.437 -11.560
  306   2HG   PRO  37          2HG       PRO  37  -6.953 -16.087  -9.925
  307   1HD   PRO  37          1HD       PRO  37  -6.140 -13.508 -10.555
  308   2HD   PRO  37          2HD       PRO  37  -5.894 -14.315  -8.992
  309    H    ASN  38           H        ASN  38  -2.337 -16.847 -12.742
  310    HA   ASN  38           HA       ASN  38  -2.873 -14.856 -14.918
  311   1HB   ASN  38          1HB       ASN  38  -0.624 -16.590 -14.051
  312   2HB   ASN  38          2HB       ASN  38  -0.823 -16.431 -15.797
  313   1HD2  ASN  38          2HD2      ASN  38   1.364 -15.230 -14.098
  314   2HD2  ASN  38          1HD2      ASN  38   1.250 -13.555 -14.344
  315    HA   PRO  39           HA       PRO  39  -5.085 -17.850 -17.279
  316   1HB   PRO  39          1HB       PRO  39  -4.246 -17.367 -19.839
  317   2HB   PRO  39          2HB       PRO  39  -5.333 -16.274 -18.957
  318   1HG   PRO  39          1HG       PRO  39  -2.403 -16.051 -19.433
  319   2HG   PRO  39          2HG       PRO  39  -3.646 -14.790 -19.437
  320   1HD   PRO  39          1HD       PRO  39  -1.948 -15.214 -17.350
  321   2HD   PRO  39          2HD       PRO  39  -3.579 -14.532 -17.163
  322    H    PHE  40           H        PHE  40  -4.328 -19.965 -16.782
  323    HA   PHE  40           HA       PHE  40  -3.081 -21.951 -17.006
  324   1HB   PHE  40          1HB       PHE  40  -3.895 -21.326 -19.393
  325   2HB   PHE  40          2HB       PHE  40  -2.222 -20.842 -19.680
  326    HD1  PHE  40           HD1      PHE  40  -4.479 -23.528 -19.872
  327    HD2  PHE  40           HD2      PHE  40  -0.416 -22.626 -18.807
  328    HE1  PHE  40           HE1      PHE  40  -3.856 -25.901 -20.231
  329    HE2  PHE  40           HE2      PHE  40   0.205 -24.996 -19.164
  330    HZ   PHE  40           HZ       PHE  40  -1.513 -26.636 -19.878
  331    H    SER  41           H        SER  41  -1.374 -21.730 -15.472
  332    HA   SER  41           HA       SER  41   1.130 -20.412 -16.480
  333   1HB   SER  41          1HB       SER  41   0.422 -20.935 -13.595
  334   2HB   SER  41          2HB       SER  41   1.507 -19.715 -14.255
  335    HG   SER  41           HG       SER  41  -0.216 -18.548 -14.934
  336    H    GLU  42           H        GLU  42   2.976 -21.725 -16.586
  337    HA   GLU  42           HA       GLU  42   2.663 -24.559 -15.666
  338   1HB   GLU  42          1HB       GLU  42   3.207 -23.988 -18.061
  339   2HB   GLU  42          2HB       GLU  42   4.729 -23.297 -17.497
  340   1HG   GLU  42          1HG       GLU  42   5.611 -25.363 -16.907
  341   2HG   GLU  42          2HG       GLU  42   4.021 -26.088 -16.668
  342    H    SER  43           H        SER  43   5.107 -21.892 -15.628
  343    HA   SER  43           HA       SER  43   6.666 -23.341 -13.556
  344   1HB   SER  43          1HB       SER  43   7.003 -20.791 -15.142
  345   2HB   SER  43          2HB       SER  43   8.078 -21.175 -13.801
  346    HG   SER  43           HG       SER  43   8.798 -21.934 -15.889
  347    H    GLY  44           H        GLY  44   4.722 -20.319 -13.819
  348   1HA   GLY  44          2HA       GLY  44   4.631 -18.738 -11.899
  349   2HA   GLY  44          1HA       GLY  44   4.848 -20.127 -10.835
  350    H    GLY  45           H        GLY  45   2.659 -18.515 -10.325
  351   1HA   GLY  45          2HA       GLY  45   0.467 -20.018  -9.978
  352   2HA   GLY  45          1HA       GLY  45   0.322 -19.708 -11.708
  353    H    ASP  46           H        ASP  46   1.091 -17.751  -8.755
  354    HA   ASP  46           HA       ASP  46  -0.943 -15.756  -9.713
  355   1HB   ASP  46          1HB       ASP  46   0.018 -16.649  -6.982
  356   2HB   ASP  46          2HB       ASP  46  -0.953 -15.194  -7.208
  357    H    MET  47           H        MET  47  -0.362 -13.480  -9.502
  358    HA   MET  47           HA       MET  47   2.601 -13.029  -9.315
  359   1HB   MET  47          1HB       MET  47   0.367 -11.985 -10.999
  360   2HB   MET  47          2HB       MET  47   1.677 -10.866 -10.616
  361   1HG   MET  47          1HG       MET  47   2.199 -13.644 -11.687
  362   2HG   MET  47          2HG       MET  47   1.963 -12.256 -12.750
  363   1HE   MET  47          2HE       MET  47   3.943 -14.450 -11.150
  364   2HE   MET  47          1HE       MET  47   5.598 -13.845 -11.174
  365   3HE   MET  47          3HE       MET  47   4.582 -13.598  -9.747
  366    H    LYS  48           H        LYS  48   3.264 -11.840  -7.525
  367    HA   LYS  48           HA       LYS  48   1.224 -10.090  -6.184
  368   1HB   LYS  48          1HB       LYS  48   2.078 -12.197  -5.027
  369   2HB   LYS  48          2HB       LYS  48   3.662 -11.420  -4.974
  370   1HG   LYS  48          1HG       LYS  48   2.278  -9.412  -3.935
  371   2HG   LYS  48          2HG       LYS  48   1.148 -10.699  -3.514
  372   1HD   LYS  48          1HD       LYS  48   4.067 -11.076  -2.932
  373   2HD   LYS  48          2HD       LYS  48   3.100 -10.068  -1.855
  374   1HE   LYS  48          1HE       LYS  48   1.538 -11.908  -1.458
  375   2HE   LYS  48          2HE       LYS  48   2.407 -12.927  -2.623
  376   1HZ   LYS  48          3HZ       LYS  48   3.591 -11.704  -0.186
  377   2HZ   LYS  48          2HZ       LYS  48   3.170 -13.340  -0.354
  378   3HZ   LYS  48          1HZ       LYS  48   4.413 -12.679  -1.305
  379    H    GLU  49           H        GLU  49   1.725  -7.900  -6.382
  380    HA   GLU  49           HA       GLU  49   4.629  -7.165  -6.582
  381   1HB   GLU  49          1HB       GLU  49   2.189  -6.121  -8.052
  382   2HB   GLU  49          2HB       GLU  49   3.769  -5.340  -8.113
  383   1HG   GLU  49          1HG       GLU  49   4.011  -6.702  -9.948
  384   2HG   GLU  49          2HG       GLU  49   4.525  -7.850  -8.711
  385    H    TRP  50           H        TRP  50   5.174  -5.108  -5.540
  386    HA   TRP  50           HA       TRP  50   3.196  -4.322  -3.440
  387   1HB   TRP  50          1HB       TRP  50   6.166  -3.830  -3.829
  388   2HB   TRP  50          2HB       TRP  50   5.238  -3.189  -2.473
  389    HD1  TRP  50           HD1      TRP  50   7.338  -6.000  -3.291
  390    HE1  TRP  50           HE1      TRP  50   6.909  -8.006  -1.730
  391    HE3  TRP  50           HE3      TRP  50   2.896  -4.566  -1.205
  392    HZ2  TRP  50           HZ2      TRP  50   4.944  -8.887   0.153
  393    HZ3  TRP  50           HZ3      TRP  50   1.773  -6.004   0.469
  394    HH2  TRP  50           HH2      TRP  50   2.789  -8.163   1.149
  395    H    TYR  51           H        TYR  51   2.370  -2.182  -3.325
  396    HA   TYR  51           HA       TYR  51   3.167  -0.363  -5.577
  397   1HB   TYR  51          1HB       TYR  51   0.513  -0.853  -4.192
  398   2HB   TYR  51          2HB       TYR  51   0.782   0.436  -5.363
  399    HD1  TYR  51           HD1      TYR  51   1.121  -0.051  -7.739
  400    HD2  TYR  51           HD2      TYR  51   0.507  -3.196  -4.869
  401    HE1  TYR  51           HE1      TYR  51   0.674  -1.654  -9.578
  402    HE2  TYR  51           HE2      TYR  51   0.066  -4.792  -6.702
  403    HH   TYR  51           HH       TYR  51   0.940  -4.501  -9.644
  404    H    HIS  52           H        HIS  52   2.486   2.010  -4.987
  405    HA   HIS  52           HA       HIS  52   3.583   2.624  -2.270
  406   1HB   HIS  52          1HB       HIS  52   3.310   3.958  -4.914
  407   2HB   HIS  52          2HB       HIS  52   3.200   5.020  -3.517
  408    HD2  HIS  52           HD2      HIS  52   5.572   3.923  -1.610
  409    HE1  HIS  52           HE1      HIS  52   8.082   4.019  -5.020
  410    HE2  HIS  52           HE2      HIS  52   8.002   3.920  -2.507
  411    H    ILE  53           H        ILE  53   2.315   4.938  -1.542
  412    HA   ILE  53           HA       ILE  53  -0.479   4.034  -1.086
  413    HB   ILE  53           HB       ILE  53   1.147   6.399  -0.077
  414   1HG1  ILE  53          1HG1      ILE  53   1.889   4.165   0.709
  415   2HG1  ILE  53          2HG1      ILE  53   1.204   5.114   2.026
  416   1HG2  ILE  53          2HG2      ILE  53  -1.653   6.168  -0.127
  417   2HG2  ILE  53          1HG2      ILE  53  -1.201   5.687   1.505
  418   3HG2  ILE  53          3HG2      ILE  53  -0.704   7.257   0.886
  419   1HD1  ILE  53          2HD1      ILE  53  -1.008   3.946   1.573
  420   2HD1  ILE  53          1HD1      ILE  53  -0.127   2.866   0.492
  421   3HD1  ILE  53          3HD1      ILE  53   0.265   2.905   2.211
  422    H    LYS  54           H        LYS  54   1.257   6.686  -2.781
  423    HA   LYS  54           HA       LYS  54  -1.323   7.830  -3.693
  424   1HB   LYS  54          1HB       LYS  54   0.746   9.167  -3.005
  425   2HB   LYS  54          2HB       LYS  54   1.489   8.614  -4.507
  426   1HG   LYS  54          1HG       LYS  54  -0.335   9.620  -5.806
  427   2HG   LYS  54          2HG       LYS  54  -1.126  10.139  -4.317
  428   1HD   LYS  54          1HD       LYS  54   0.077  12.044  -5.126
  429   2HD   LYS  54          2HD       LYS  54   1.014  11.410  -3.771
  430   1HE   LYS  54          1HE       LYS  54   2.696  10.561  -5.155
  431   2HE   LYS  54          2HE       LYS  54   1.615  10.439  -6.558
  432   1HZ   LYS  54          1HZ       LYS  54   2.449  12.986  -5.274
  433   2HZ   LYS  54          3HZ       LYS  54   3.115  12.368  -6.705
  434   3HZ   LYS  54          2HZ       LYS  54   1.480  12.827  -6.660
  435    H    CYS  55           H        CYS  55   1.256   5.745  -4.977
  436    HA   CYS  55           HA       CYS  55   0.488   6.041  -7.771
  437   1HB   CYS  55          1HB       CYS  55   1.906   3.753  -6.358
  438   2HB   CYS  55          2HB       CYS  55   1.905   4.042  -8.095
  439    H    MET  56           H        MET  56  -0.187   3.502  -5.320
  440    HA   MET  56           HA       MET  56  -1.933   1.979  -7.057
  441   1HB   MET  56          1HB       MET  56  -0.746   1.518  -4.668
  442   2HB   MET  56          2HB       MET  56  -2.372   1.914  -4.110
  443   1HG   MET  56          1HG       MET  56  -1.775  -0.133  -6.264
  444   2HG   MET  56          2HG       MET  56  -2.031  -0.535  -4.566
  445   1HE   MET  56          3HE       MET  56  -3.399   0.286  -7.917
  446   2HE   MET  56          2HE       MET  56  -3.674  -1.371  -7.386
  447   3HE   MET  56          1HE       MET  56  -5.049  -0.326  -7.733
  448    H    PHE  57           H        PHE  57  -2.568   4.613  -4.712
  449    HA   PHE  57           HA       PHE  57  -5.472   4.381  -5.024
  450   1HB   PHE  57          1HB       PHE  57  -3.547   6.197  -3.654
  451   2HB   PHE  57          2HB       PHE  57  -5.117   6.888  -4.057
  452    HD1  PHE  57           HD1      PHE  57  -7.210   5.854  -3.193
  453    HD2  PHE  57           HD2      PHE  57  -3.337   4.469  -1.964
  454    HE1  PHE  57           HE1      PHE  57  -8.238   4.657  -1.290
  455    HE2  PHE  57           HE2      PHE  57  -4.359   3.278  -0.058
  456    HZ   PHE  57           HZ       PHE  57  -6.818   3.369   0.282
  457    H    GLU  58           H        GLU  58  -2.894   6.249  -6.643
  458    HA   GLU  58           HA       GLU  58  -4.631   8.049  -8.083
  459   1HB   GLU  58          1HB       GLU  58  -2.154   8.292  -7.879
  460   2HB   GLU  58          2HB       GLU  58  -1.950   6.873  -8.908
  461   1HG   GLU  58          1HG       GLU  58  -2.630   7.984 -10.814
  462   2HG   GLU  58          2HG       GLU  58  -3.675   9.091  -9.923
  463    H    LYS  59           H        LYS  59  -3.529   4.705  -8.768
  464    HA   LYS  59           HA       LYS  59  -4.521   4.522 -11.456
  465   1HB   LYS  59          1HB       LYS  59  -4.035   2.561  -9.217
  466   2HB   LYS  59          2HB       LYS  59  -4.768   2.008 -10.723
  467   1HG   LYS  59          1HG       LYS  59  -2.872   2.722 -12.009
  468   2HG   LYS  59          2HG       LYS  59  -2.189   3.591 -10.635
  469   1HD   LYS  59          1HD       LYS  59  -0.989   1.507 -10.838
  470   2HD   LYS  59          2HD       LYS  59  -2.034   1.380  -9.423
  471   1HE   LYS  59          1HE       LYS  59  -2.343  -0.673 -10.622
  472   2HE   LYS  59          2HE       LYS  59  -3.765   0.309 -11.027
  473   1HZ   LYS  59          1HZ       LYS  59  -1.261   0.364 -12.615
  474   2HZ   LYS  59          3HZ       LYS  59  -2.554  -0.670 -12.983
  475   3HZ   LYS  59          2HZ       LYS  59  -2.775   1.014 -13.036
  476    H    LEU  60           H        LEU  60  -6.178   3.999  -8.319
  477    HA   LEU  60           HA       LEU  60  -8.677   3.029  -9.342
  478   1HB   LEU  60          1HB       LEU  60  -7.739   4.455  -6.882
  479   2HB   LEU  60          2HB       LEU  60  -9.478   4.413  -7.174
  480    HG   LEU  60           HG       LEU  60  -9.237   1.902  -7.517
  481   1HD1  LEU  60          2HD1      LEU  60  -6.791   1.915  -7.900
  482   2HD1  LEU  60          1HD1      LEU  60  -6.540   2.455  -6.240
  483   3HD1  LEU  60          3HD1      LEU  60  -7.224   0.860  -6.555
  484   1HD2  LEU  60          3HD2      LEU  60 -10.017   3.084  -5.388
  485   2HD2  LEU  60          2HD2      LEU  60  -9.383   1.453  -5.168
  486   3HD2  LEU  60          1HD2      LEU  60  -8.382   2.850  -4.771
  487    H    GLU  61           H        GLU  61  -7.574   6.408  -8.754
  488    HA   GLU  61           HA       GLU  61  -9.979   7.718  -9.623
  489   1HB   GLU  61          1HB       GLU  61  -7.671   8.567  -8.558
  490   2HB   GLU  61          2HB       GLU  61  -7.295   8.897 -10.249
  491   1HG   GLU  61          1HG       GLU  61  -9.881   9.813  -8.984
  492   2HG   GLU  61          2HG       GLU  61  -8.417  10.795  -8.930
  493    H    ARG  62           H        ARG  62  -7.191   6.437 -11.461
  494    HA   ARG  62           HA       ARG  62  -8.564   7.215 -14.009
  495   1HB   ARG  62          1HB       ARG  62  -6.183   7.956 -13.421
  496   2HB   ARG  62          2HB       ARG  62  -5.716   6.262 -13.592
  497   1HG   ARG  62          1HG       ARG  62  -7.044   6.528 -15.899
  498   2HG   ARG  62          2HG       ARG  62  -6.581   8.215 -15.681
  499   1HD   ARG  62          1HD       ARG  62  -4.220   6.981 -15.086
  500   2HD   ARG  62          2HD       ARG  62  -4.882   5.871 -16.304
  501    HE   ARG  62           HE       ARG  62  -4.417   8.790 -16.735
  502   1HH1  ARG  62          1HH1      ARG  62  -3.015   8.468 -18.731
  503   2HH1  ARG  62          2HH1      ARG  62  -3.811   7.624 -20.016
  504   1HH2  ARG  62          1HH2      ARG  62  -6.394   6.467 -18.012
  505   2HH2  ARG  62          2HH2      ARG  62  -5.724   6.491 -19.610
  506    H    ALA  63           H        ALA  63  -9.324   4.798 -12.329
  507    HA   ALA  63           HA       ALA  63  -8.425   2.608 -14.172
  508   1HB   ALA  63          1HB       ALA  63  -9.423   1.262 -12.130
  509   2HB   ALA  63          2HB       ALA  63  -9.241   2.799 -11.284
  510   3HB   ALA  63          3HB       ALA  63  -7.830   2.007 -11.988
  511    H    ARG  64           H        ARG  64 -10.204   0.881 -14.532
  512    HA   ARG  64           HA       ARG  64 -12.626   2.202 -15.519
  513   1HB   ARG  64          1HB       ARG  64 -11.530  -0.598 -15.419
  514   2HB   ARG  64          2HB       ARG  64 -13.228  -0.360 -15.836
  515   1HG   ARG  64          1HG       ARG  64 -12.286   1.447 -17.491
  516   2HG   ARG  64          2HG       ARG  64 -10.775   0.554 -17.310
  517   1HD   ARG  64          1HD       ARG  64 -11.549  -1.234 -18.508
  518   2HD   ARG  64          2HD       ARG  64 -13.169  -1.130 -17.791
  519    HE   ARG  64           HE       ARG  64 -12.246   0.334 -20.177
  520   1HH1  ARG  64          1HH1      ARG  64 -14.912  -1.025 -18.850
  521   2HH1  ARG  64          2HH1      ARG  64 -15.987   0.308 -19.108
  522   1HH2  ARG  64          1HH2      ARG  64 -13.463   2.518 -19.984
  523   2HH2  ARG  64          2HH2      ARG  64 -15.167   2.314 -19.749
  524    H    ALA  65           H        ALA  65 -14.853   1.680 -14.794
  525    HA   ALA  65           HA       ALA  65 -15.015   1.463 -11.845
  526   1HB   ALA  65          1HB       ALA  65 -16.358   2.974 -13.547
  527   2HB   ALA  65          2HB       ALA  65 -17.171   2.329 -12.121
  528   3HB   ALA  65          3HB       ALA  65 -17.390   1.551 -13.688
  529    H    THR  66           H        THR  66 -15.861  -0.559 -14.683
  530    HA   THR  66           HA       THR  66 -17.526  -2.504 -13.505
  531    HB   THR  66           HB       THR  66 -16.178  -4.079 -15.138
  532    HG1  THR  66           HG1      THR  66 -14.804  -3.027 -16.457
  533   1HG2  THR  66          2HG2      THR  66 -17.903  -1.712 -15.729
  534   2HG2  THR  66          1HG2      THR  66 -17.174  -2.568 -17.089
  535   3HG2  THR  66          3HG2      THR  66 -18.232  -3.428 -15.971
  536    H    THR  67           H        THR  67 -13.962  -2.211 -13.168
  537    HA   THR  67           HA       THR  67 -14.008  -4.585 -11.334
  538    HB   THR  67           HB       THR  67 -11.685  -3.160 -12.677
  539    HG1  THR  67           HG1      THR  67 -12.821  -4.085 -14.284
  540   1HG2  THR  67          2HG2      THR  67 -11.978  -5.581 -10.940
  541   2HG2  THR  67          1HG2      THR  67 -10.745  -5.589 -12.200
  542   3HG2  THR  67          3HG2      THR  67 -10.711  -4.353 -10.944
  543    H    LYS  68           H        LYS  68 -13.495  -4.266  -9.134
  544    HA   LYS  68           HA       LYS  68 -12.746  -1.468  -8.337
  545   1HB   LYS  68          1HB       LYS  68 -15.027  -2.253  -7.728
  546   2HB   LYS  68          2HB       LYS  68 -14.310  -3.609  -6.856
  547   1HG   LYS  68          1HG       LYS  68 -14.698  -1.988  -5.176
  548   2HG   LYS  68          2HG       LYS  68 -12.982  -1.818  -5.549
  549   1HD   LYS  68          1HD       LYS  68 -13.473   0.060  -7.053
  550   2HD   LYS  68          2HD       LYS  68 -15.199  -0.121  -6.735
  551   1HE   LYS  68          1HE       LYS  68 -15.046   0.814  -4.628
  552   2HE   LYS  68          2HE       LYS  68 -13.405   0.193  -4.362
  553   1HZ   LYS  68          2HZ       LYS  68 -12.661   1.728  -6.153
  554   2HZ   LYS  68          1HZ       LYS  68 -14.211   2.426  -6.147
  555   3HZ   LYS  68          3HZ       LYS  68 -13.233   2.525  -4.766
  556    H    LYS  69           H        LYS  69 -11.022  -1.241  -6.809
  557    HA   LYS  69           HA       LYS  69  -9.687  -3.784  -5.937
  558   1HB   LYS  69          1HB       LYS  69  -8.586  -1.257  -7.188
  559   2HB   LYS  69          2HB       LYS  69  -7.553  -2.397  -6.323
  560   1HG   LYS  69          1HG       LYS  69  -7.741  -4.013  -7.943
  561   2HG   LYS  69          2HG       LYS  69  -9.388  -3.544  -8.367
  562   1HD   LYS  69          1HD       LYS  69  -8.503  -1.506  -9.476
  563   2HD   LYS  69          2HD       LYS  69  -6.862  -2.032  -9.100
  564   1HE   LYS  69          1HE       LYS  69  -7.108  -4.012 -10.482
  565   2HE   LYS  69          2HE       LYS  69  -8.830  -3.667 -10.740
  566   1HZ   LYS  69          3HZ       LYS  69  -8.223  -1.551 -11.737
  567   2HZ   LYS  69          2HZ       LYS  69  -6.575  -1.887 -11.504
  568   3HZ   LYS  69          1HZ       LYS  69  -7.493  -2.828 -12.580
  569    H    ILE  70           H        ILE  70  -8.993  -3.765  -3.754
  570    HA   ILE  70           HA       ILE  70  -8.841  -3.016  -1.528
  571    HB   ILE  70           HB       ILE  70  -8.227  -0.426  -2.993
  572   1HG1  ILE  70          1HG1      ILE  70  -6.359  -2.594  -1.981
  573   2HG1  ILE  70          2HG1      ILE  70  -6.835  -2.400  -3.669
  574   1HG2  ILE  70          2HG2      ILE  70  -8.162  -1.245  -0.147
  575   2HG2  ILE  70          1HG2      ILE  70  -6.711  -0.426  -0.723
  576   3HG2  ILE  70          3HG2      ILE  70  -8.281   0.366  -0.853
  577   1HD1  ILE  70          1HD1      ILE  70  -5.417  -0.307  -1.993
  578   2HD1  ILE  70          3HD1      ILE  70  -4.660  -1.312  -3.230
  579   3HD1  ILE  70          2HD1      ILE  70  -5.885  -0.127  -3.682
  580    H    GLU  71           H        GLU  71 -10.964  -3.125  -0.669
  581    HA   GLU  71           HA       GLU  71 -12.744  -0.759  -1.164
  582   1HB   GLU  71          1HB       GLU  71 -13.178  -3.660  -0.439
  583   2HB   GLU  71          2HB       GLU  71 -14.453  -2.466  -0.194
  584   1HG   GLU  71          1HG       GLU  71 -14.565  -1.951  -2.511
  585   2HG   GLU  71          2HG       GLU  71 -13.034  -2.761  -2.844
  586    H    ASP  72           H        ASP  72 -13.468   0.464   0.651
  587    HA   ASP  72           HA       ASP  72 -13.389   1.313   2.851
  588   1HB   ASP  72          1HB       ASP  72 -13.340  -1.681   3.373
  589   2HB   ASP  72          2HB       ASP  72 -13.764  -0.453   4.565
  590    H    LEU  73           H        LEU  73 -12.040   0.731   5.137
  591    HA   LEU  73           HA       LEU  73  -9.183   0.843   4.266
  592   1HB   LEU  73          1HB       LEU  73 -10.176   2.656   5.658
  593   2HB   LEU  73          2HB       LEU  73 -10.501   1.476   6.928
  594    HG   LEU  73           HG       LEU  73  -7.961   0.931   6.757
  595   1HD1  LEU  73          2HD1      LEU  73  -8.261   3.386   5.093
  596   2HD1  LEU  73          1HD1      LEU  73  -6.874   3.321   6.180
  597   3HD1  LEU  73          3HD1      LEU  73  -7.094   2.070   4.957
  598   1HD2  LEU  73          1HD2      LEU  73  -9.279   3.324   7.997
  599   2HD2  LEU  73          3HD2      LEU  73  -8.596   1.897   8.777
  600   3HD2  LEU  73          2HD2      LEU  73  -7.530   3.150   8.141
  601    H    THR  74           H        THR  74 -11.340  -1.053   6.433
  602    HA   THR  74           HA       THR  74  -9.014  -2.804   7.125
  603    HB   THR  74           HB       THR  74 -11.053  -3.707   8.646
  604    HG1  THR  74           HG1      THR  74 -12.507  -2.139   9.031
  605   1HG2  THR  74          2HG2      THR  74  -9.180  -1.387   8.980
  606   2HG2  THR  74          1HG2      THR  74 -10.348  -1.747  10.252
  607   3HG2  THR  74          3HG2      THR  74  -9.159  -2.960   9.777
  608    H    GLU  75           H        GLU  75  -9.797  -3.166   4.466
  609    HA   GLU  75           HA       GLU  75 -11.329  -5.747   4.587
  610   1HB   GLU  75          1HB       GLU  75 -12.126  -3.408   3.420
  611   2HB   GLU  75          2HB       GLU  75 -11.291  -4.180   2.073
  612   1HG   GLU  75          1HG       GLU  75 -12.799  -5.916   1.948
  613   2HG   GLU  75          2HG       GLU  75 -13.154  -5.870   3.676
  614    H    LEU  76           H        LEU  76  -8.396  -5.473   4.805
  615    HA   LEU  76           HA       LEU  76  -7.639  -7.022   2.374
  616   1HB   LEU  76          1HB       LEU  76  -6.393  -4.460   3.401
  617   2HB   LEU  76          2HB       LEU  76  -5.522  -5.558   2.333
  618    HG   LEU  76           HG       LEU  76  -8.191  -4.249   1.715
  619   1HD1  LEU  76          1HD1      LEU  76  -6.035  -2.828   1.709
  620   2HD1  LEU  76          3HD1      LEU  76  -5.548  -3.802   0.321
  621   3HD1  LEU  76          2HD1      LEU  76  -7.009  -2.818   0.239
  622   1HD2  LEU  76          1HD2      LEU  76  -6.447  -6.225   0.241
  623   2HD2  LEU  76          3HD2      LEU  76  -8.181  -6.308   0.544
  624   3HD2  LEU  76          2HD2      LEU  76  -7.546  -5.156  -0.630
  625    H    GLU  77           H        GLU  77  -5.705  -8.380   2.762
  626    HA   GLU  77           HA       GLU  77  -5.432  -9.133   5.613
  627   1HB   GLU  77          1HB       GLU  77  -5.599 -10.799   3.763
  628   2HB   GLU  77          2HB       GLU  77  -4.073 -10.200   3.111
  629   1HG   GLU  77          1HG       GLU  77  -2.820 -11.146   4.798
  630   2HG   GLU  77          2HG       GLU  77  -4.116 -11.002   5.986
  631    H    GLY  78           H        GLY  78  -4.203  -7.459   6.674
  632   1HA   GLY  78          2HA       GLY  78  -1.695  -6.536   5.432
  633   2HA   GLY  78          1HA       GLY  78  -1.488  -7.552   6.853
  634    H    TRP  79           H        TRP  79  -4.103  -5.131   6.374
  635    HA   TRP  79           HA       TRP  79  -2.903  -2.958   7.761
  636   1HB   TRP  79          1HB       TRP  79  -5.196  -2.162   8.119
  637   2HB   TRP  79          2HB       TRP  79  -5.055  -2.868   6.513
  638    HD1  TRP  79           HD1      TRP  79  -6.644  -4.783   5.926
  639    HE1  TRP  79           HE1      TRP  79  -8.402  -6.155   7.218
  640    HE3  TRP  79           HE3      TRP  79  -5.712  -3.157  10.673
  641    HZ2  TRP  79           HZ2      TRP  79  -9.300  -6.511   9.911
  642    HZ3  TRP  79           HZ3      TRP  79  -7.033  -4.025  12.582
  643    HH2  TRP  79           HH2      TRP  79  -8.825  -5.698  12.207
  644    H    GLU  80           H        GLU  80  -4.451  -5.884   9.124
  645    HA   GLU  80           HA       GLU  80  -4.759  -5.074  11.833
  646   1HB   GLU  80          1HB       GLU  80  -5.271  -7.329  10.580
  647   2HB   GLU  80          2HB       GLU  80  -3.652  -7.785  11.112
  648   1HG   GLU  80          1HG       GLU  80  -4.546  -6.860  13.444
  649   2HG   GLU  80          2HG       GLU  80  -6.109  -7.274  12.737
  650    H    GLU  81           H        GLU  81  -1.792  -6.212  10.155
  651    HA   GLU  81           HA       GLU  81  -0.144  -6.166  12.569
  652   1HB   GLU  81          1HB       GLU  81   0.298  -7.461  10.426
  653   2HB   GLU  81          2HB       GLU  81   0.742  -5.930   9.673
  654   1HG   GLU  81          1HG       GLU  81   2.677  -5.715  10.921
  655   2HG   GLU  81          2HG       GLU  81   2.029  -6.637  12.278
  656    H    LEU  82           H        LEU  82  -0.837  -3.794   9.969
  657    HA   LEU  82           HA       LEU  82   1.140  -1.842  10.538
  658   1HB   LEU  82          1HB       LEU  82  -1.327  -1.996   9.070
  659   2HB   LEU  82          2HB       LEU  82  -1.371  -0.516  10.022
  660    HG   LEU  82           HG       LEU  82   1.141  -0.326   9.118
  661   1HD1  LEU  82          3HD1      LEU  82   0.988  -2.480   7.883
  662   2HD1  LEU  82          2HD1      LEU  82  -0.335  -1.814   6.925
  663   3HD1  LEU  82          1HD1      LEU  82   1.280  -1.116   6.804
  664   1HD2  LEU  82          3HD2      LEU  82  -0.728   1.305   8.826
  665   2HD2  LEU  82          2HD2      LEU  82   0.273   1.162   7.380
  666   3HD2  LEU  82          1HD2      LEU  82  -1.298   0.363   7.448
  667    H    GLU  83           H        GLU  83   0.371   0.477  11.553
  668    HA   GLU  83           HA       GLU  83  -0.559  -0.167  14.331
  669   1HB   GLU  83          1HB       GLU  83   1.303   1.823  13.070
  670   2HB   GLU  83          2HB       GLU  83   0.552   2.223  14.614
  671   1HG   GLU  83          1HG       GLU  83   2.441   1.129  15.377
  672   2HG   GLU  83          2HG       GLU  83   1.341  -0.242  15.236
  673    H    ASP  84           H        ASP  84  -1.972   1.503  15.397
  674    HA   ASP  84           HA       ASP  84  -4.253   2.218  13.830
  675   1HB   ASP  84          1HB       ASP  84  -3.152   3.061  16.502
  676   2HB   ASP  84          2HB       ASP  84  -4.585   3.865  15.860
  677    H    ASN  85           H        ASN  85  -1.388   4.178  14.719
  678    HA   ASN  85           HA       ASN  85  -2.370   6.649  13.575
  679   1HB   ASN  85          1HB       ASN  85   0.461   5.630  14.009
  680   2HB   ASN  85          2HB       ASN  85   0.043   7.307  13.659
  681   1HD2  ASN  85          2HD2      ASN  85  -0.512   8.626  15.462
  682   2HD2  ASN  85          1HD2      ASN  85  -0.811   8.016  17.017
  683    H    GLU  86           H        GLU  86  -0.371   4.000  12.226
  684    HA   GLU  86           HA       GLU  86   0.019   5.253   9.637
  685   1HB   GLU  86          1HB       GLU  86   0.027   2.343  10.510
  686   2HB   GLU  86          2HB       GLU  86   0.597   2.905   8.939
  687   1HG   GLU  86          1HG       GLU  86   2.364   4.179   9.933
  688   2HG   GLU  86          2HG       GLU  86   1.691   3.976  11.549
  689    H    LYS  87           H        LYS  87  -2.469   3.015  10.919
  690    HA   LYS  87           HA       LYS  87  -3.872   2.569   8.456
  691   1HB   LYS  87          1HB       LYS  87  -4.517   2.451  11.379
  692   2HB   LYS  87          2HB       LYS  87  -5.862   2.388  10.239
  693   1HG   LYS  87          1HG       LYS  87  -5.117   0.389   9.269
  694   2HG   LYS  87          2HG       LYS  87  -3.460   0.625   9.825
  695   1HD   LYS  87          1HD       LYS  87  -4.458  -1.107  11.188
  696   2HD   LYS  87          2HD       LYS  87  -4.289   0.338  12.187
  697   1HE   LYS  87          1HE       LYS  87  -6.686   0.917  11.619
  698   2HE   LYS  87          2HE       LYS  87  -6.820  -0.678  10.852
  699   1HZ   LYS  87          1HZ       LYS  87  -6.036  -1.681  12.923
  700   2HZ   LYS  87          3HZ       LYS  87  -5.987  -0.153  13.658
  701   3HZ   LYS  87          2HZ       LYS  87  -7.475  -0.812  13.169
  702    H    GLU  88           H        GLU  88  -4.139   5.211  10.863
  703    HA   GLU  88           HA       GLU  88  -6.462   6.501   9.784
  704   1HB   GLU  88          1HB       GLU  88  -4.948   6.951  11.919
  705   2HB   GLU  88          2HB       GLU  88  -4.142   8.095  10.846
  706   1HG   GLU  88          1HG       GLU  88  -7.142   8.096  11.044
  707   2HG   GLU  88          2HG       GLU  88  -6.182   8.909  12.280
  708    H    GLN  89           H        GLN  89  -2.998   6.822   8.875
  709    HA   GLN  89           HA       GLN  89  -3.366   8.951   6.965
  710   1HB   GLN  89          1HB       GLN  89  -1.300   6.871   7.552
  711   2HB   GLN  89          2HB       GLN  89  -1.220   7.654   5.975
  712   1HG   GLN  89          1HG       GLN  89   0.135   8.956   7.484
  713   2HG   GLN  89          2HG       GLN  89  -1.337   9.879   7.171
  714   1HE2  GLN  89          1HE2      GLN  89   0.642   8.693   9.700
  715   2HE2  GLN  89          2HE2      GLN  89  -0.485   8.845  10.962
  716    H    ILE  90           H        ILE  90  -3.523   5.391   6.601
  717    HA   ILE  90           HA       ILE  90  -3.879   5.408   3.725
  718    HB   ILE  90           HB       ILE  90  -4.809   3.420   5.838
  719   1HG1  ILE  90          1HG1      ILE  90  -2.436   2.939   4.104
  720   2HG1  ILE  90          2HG1      ILE  90  -2.251   4.155   5.368
  721   1HG2  ILE  90          3HG2      ILE  90  -5.919   3.181   3.597
  722   2HG2  ILE  90          2HG2      ILE  90  -4.321   2.996   2.874
  723   3HG2  ILE  90          1HG2      ILE  90  -4.911   1.799   4.027
  724   1HD1  ILE  90          1HD1      ILE  90  -3.568   1.609   6.162
  725   2HD1  ILE  90          3HD1      ILE  90  -1.841   1.527   5.815
  726   3HD1  ILE  90          2HD1      ILE  90  -2.439   2.620   7.063
  727    H    THR  91           H        THR  91  -6.215   5.514   6.460
  728    HA   THR  91           HA       THR  91  -8.619   5.345   4.908
  729    HB   THR  91           HB       THR  91  -8.449   7.154   7.298
  730    HG1  THR  91           HG1      THR  91  -8.150   5.418   8.633
  731   1HG2  THR  91          2HG2      THR  91 -10.595   6.464   6.105
  732   2HG2  THR  91          1HG2      THR  91 -10.296   4.834   6.710
  733   3HG2  THR  91          3HG2      THR  91 -10.553   6.162   7.842
  734    H    GLN  92           H        GLN  92  -6.570   8.172   5.714
  735    HA   GLN  92           HA       GLN  92  -8.280  10.226   4.687
  736   1HB   GLN  92          1HB       GLN  92  -5.940  10.265   5.927
  737   2HB   GLN  92          2HB       GLN  92  -5.298  10.319   4.285
  738   1HG   GLN  92          1HG       GLN  92  -5.561  12.584   4.662
  739   2HG   GLN  92          2HG       GLN  92  -7.156  12.211   4.009
  740   1HE2  GLN  92          1HE2      GLN  92  -5.443  13.264   6.893
  741   2HE2  GLN  92          2HE2      GLN  92  -6.814  13.386   7.886
  742    H    HIS  93           H        HIS  93  -5.905   8.132   2.985
  743    HA   HIS  93           HA       HIS  93  -6.031   9.395   0.417
  744   1HB   HIS  93          1HB       HIS  93  -5.297   6.721   1.502
  745   2HB   HIS  93          2HB       HIS  93  -5.716   6.751  -0.210
  746    HD1  HIS  93           HD1      HIS  93  -3.859   7.384  -1.737
  747    HD2  HIS  93           HD2      HIS  93  -3.226   8.839   2.112
  748    HE1  HIS  93           HE1      HIS  93  -1.578   8.481  -1.752
  749    H    ILE  94           H        ILE  94  -8.056   6.713   1.732
  750    HA   ILE  94           HA       ILE  94  -9.727   6.512  -0.627
  751    HB   ILE  94           HB       ILE  94 -10.240   5.773   2.280
  752   1HG1  ILE  94          1HG1      ILE  94  -9.600   3.840   0.078
  753   2HG1  ILE  94          2HG1      ILE  94  -8.287   4.783   0.780
  754   1HG2  ILE  94          1HG2      ILE  94 -11.682   4.975  -0.269
  755   2HG2  ILE  94          3HG2      ILE  94 -11.919   4.190   1.292
  756   3HG2  ILE  94          2HG2      ILE  94 -12.360   5.884   1.081
  757   1HD1  ILE  94          3HD1      ILE  94  -9.080   4.013   3.056
  758   2HD1  ILE  94          2HD1      ILE  94 -10.166   2.903   2.220
  759   3HD1  ILE  94          1HD1      ILE  94  -8.420   2.740   2.029
  760    H    ALA  95           H        ALA  95  -9.990   8.452   2.373
  761    HA   ALA  95           HA       ALA  95 -12.620   9.525   1.761
  762   1HB   ALA  95          3HB       ALA  95 -11.724  11.369   3.403
  763   2HB   ALA  95          1HB       ALA  95 -10.334  10.296   3.575
  764   3HB   ALA  95          2HB       ALA  95 -11.944   9.730   4.016
  765    H    ASP  96           H        ASP  96  -9.281  10.655   1.094
  766    HA   ASP  96           HA       ASP  96 -10.142  13.146  -0.177
  767   1HB   ASP  96          1HB       ASP  96  -7.608  11.538   0.032
  768   2HB   ASP  96          2HB       ASP  96  -7.697  12.812  -1.185
  769    H    LEU  97           H        LEU  97  -9.244   9.880  -1.375
  770    HA   LEU  97           HA       LEU  97  -9.617  10.544  -4.193
  771   1HB   LEU  97          1HB       LEU  97  -8.240   8.646  -3.372
  772   2HB   LEU  97          2HB       LEU  97  -9.690   7.875  -2.731
  773    HG   LEU  97           HG       LEU  97 -10.627   7.967  -5.104
  774   1HD1  LEU  97          1HD1      LEU  97  -8.563   9.627  -5.620
  775   2HD1  LEU  97          3HD1      LEU  97  -7.827   8.099  -6.102
  776   3HD1  LEU  97          2HD1      LEU  97  -9.320   8.638  -6.868
  777   1HD2  LEU  97          1HD2      LEU  97  -9.202   6.050  -3.821
  778   2HD2  LEU  97          3HD2      LEU  97  -9.848   5.834  -5.448
  779   3HD2  LEU  97          2HD2      LEU  97  -8.162   6.304  -5.222
  780    H    SER  98           H        SER  98 -11.777   9.295  -1.614
  781    HA   SER  98           HA       SER  98 -14.005   9.075  -3.599
  782   1HB   SER  98          1HB       SER  98 -13.798   8.277  -0.672
  783   2HB   SER  98          2HB       SER  98 -15.129   7.875  -1.757
  784    HG   SER  98           HG       SER  98 -13.615   6.175  -1.614
  785    H    SER  99           H        SER  99 -13.207  11.758  -3.094
  786    HA   SER  99           HA       SER  99 -15.393  12.742  -1.282
  787   1HB   SER  99          1HB       SER  99 -13.358  13.366  -0.291
  788   2HB   SER  99          2HB       SER  99 -12.568  13.611  -1.845
  789    HG   SER  99           HG       SER  99 -14.457  15.238  -0.513
  790    H    LYS 100           H        LYS 100 -16.838  14.268  -2.192
  791    HA   LYS 100           HA       LYS 100 -16.139  15.477  -4.829
  792   1HB   LYS 100          1HB       LYS 100 -18.123  13.368  -4.219
  793   2HB   LYS 100          2HB       LYS 100 -18.747  14.697  -5.196
  794   1HG   LYS 100          1HG       LYS 100 -16.553  14.377  -6.582
  795   2HG   LYS 100          2HG       LYS 100 -16.510  12.786  -5.821
  796   1HD   LYS 100          1HD       LYS 100 -18.372  12.043  -6.942
  797   2HD   LYS 100          2HD       LYS 100 -19.112  13.644  -6.984
  798   1HE   LYS 100          1HE       LYS 100 -17.139  14.232  -8.616
  799   2HE   LYS 100          2HE       LYS 100 -17.050  12.473  -8.837
  800   1HZ   LYS 100          3HZ       LYS 100 -19.500  12.510  -9.173
  801   2HZ   LYS 100          2HZ       LYS 100 -19.434  14.208  -9.193
  802   3HZ   LYS 100          1HZ       LYS 100 -18.634  13.310 -10.392
  803    H    ALA 101           H        ALA 101 -16.211  16.911  -2.401
  804    HA   ALA 101           HA       ALA 101 -18.659  18.579  -2.797
  805   1HB   ALA 101          1HB       ALA 101 -18.586  18.666  -0.169
  806   2HB   ALA 101          3HB       ALA 101 -19.315  17.270  -0.964
  807   3HB   ALA 101          2HB       ALA 101 -17.673  17.166  -0.329
  808    H    ALA 102           H        ALA 102 -16.322  19.476  -3.877
  809    HA   ALA 102           HA       ALA 102 -15.500  21.638  -1.995
  810   1HB   ALA 102          2HB       ALA 102 -13.960  19.601  -1.918
  811   2HB   ALA 102          1HB       ALA 102 -13.536  19.970  -3.588
  812   3HB   ALA 102          3HB       ALA 102 -13.171  21.129  -2.311
  813    H    GLY 103           H        GLY 103 -17.219  22.268  -4.003
  814   1HA   GLY 103          2HA       GLY 103 -16.823  22.683  -6.574
  815   2HA   GLY 103          1HA       GLY 103 -15.464  23.639  -5.980
  816    H    THR 104           H        THR 104 -18.966  23.504  -6.320
  817    HA   THR 104           HA       THR 104 -19.235  26.375  -6.178
  818    HB   THR 104           HB       THR 104 -21.763  25.307  -5.637
  819    HG1  THR 104           HG1      THR 104 -21.854  23.403  -6.739
  820   1HG2  THR 104          3HG2      THR 104 -20.224  25.978  -8.125
  821   2HG2  THR 104          2HG2      THR 104 -21.840  25.284  -8.266
  822   3HG2  THR 104          1HG2      THR 104 -21.607  26.808  -7.411
  823    HA   PRO 105           HA       PRO 105 -21.004  25.836  -1.789
  824   1HB   PRO 105          1HB       PRO 105 -20.903  23.383  -0.584
  825   2HB   PRO 105          2HB       PRO 105 -22.271  23.911  -1.581
  826   1HG   PRO 105          1HG       PRO 105 -20.016  22.103  -2.269
  827   2HG   PRO 105          2HG       PRO 105 -21.720  22.014  -2.740
  828   1HD   PRO 105          1HD       PRO 105 -19.728  22.931  -4.374
  829   2HD   PRO 105          2HD       PRO 105 -21.432  23.413  -4.518
  830    H    LYS 106           H        LYS 106 -19.604  26.597  -0.164
  831    HA   LYS 106           HA       LYS 106 -16.960  25.207   0.130
  832   1HB   LYS 106          1HB       LYS 106 -17.211  27.496  -1.167
  833   2HB   LYS 106          2HB       LYS 106 -17.307  28.173   0.459
  834   1HG   LYS 106          1HG       LYS 106 -15.126  27.618   0.971
  835   2HG   LYS 106          2HG       LYS 106 -15.123  26.214  -0.095
  836   1HD   LYS 106          1HD       LYS 106 -15.376  28.939  -1.314
  837   2HD   LYS 106          2HD       LYS 106 -13.789  28.401  -0.761
  838   1HE   LYS 106          1HE       LYS 106 -15.472  26.588  -2.488
  839   2HE   LYS 106          2HE       LYS 106 -14.467  27.854  -3.221
  840   1HZ   LYS 106          2HZ       LYS 106 -12.572  27.034  -1.964
  841   2HZ   LYS 106          1HZ       LYS 106 -13.529  25.808  -1.279
  842   3HZ   LYS 106          3HZ       LYS 106 -13.208  25.801  -2.944
  843    H    LYS 107           H        LYS 107 -15.895  25.886   2.325
  844    HA   LYS 107           HA       LYS 107 -16.036  25.877   4.677
  845   1HB   LYS 107          1HB       LYS 107 -17.979  27.888   3.637
  846   2HB   LYS 107          2HB       LYS 107 -18.084  27.489   5.352
  847   1HG   LYS 107          1HG       LYS 107 -16.469  29.095   5.542
  848   2HG   LYS 107          2HG       LYS 107 -15.399  27.765   5.103
  849   1HD   LYS 107          1HD       LYS 107 -14.846  29.574   3.635
  850   2HD   LYS 107          2HD       LYS 107 -15.777  28.426   2.673
  851   1HE   LYS 107          1HE       LYS 107 -17.793  29.762   2.908
  852   2HE   LYS 107          2HE       LYS 107 -16.979  30.857   4.043
  853   1HZ   LYS 107          1HZ       LYS 107 -16.089  30.332   1.257
  854   2HZ   LYS 107          3HZ       LYS 107 -16.947  31.709   1.750
  855   3HZ   LYS 107          2HZ       LYS 107 -15.383  31.425   2.350
  856    H    LYS 108           H        LYS 108 -17.839  25.561   6.575
  857    HA   LYS 108           HA       LYS 108 -20.074  23.823   5.679
  858   1HB   LYS 108          1HB       LYS 108 -17.515  22.961   6.941
  859   2HB   LYS 108          2HB       LYS 108 -18.987  22.174   7.511
  860   1HG   LYS 108          1HG       LYS 108 -19.515  21.939   4.945
  861   2HG   LYS 108          2HG       LYS 108 -17.773  22.154   4.764
  862   1HD   LYS 108          1HD       LYS 108 -17.461  20.306   6.462
  863   2HD   LYS 108          2HD       LYS 108 -19.198  20.012   6.362
  864   1HE   LYS 108          1HE       LYS 108 -18.565  20.026   3.712
  865   2HE   LYS 108          2HE       LYS 108 -17.070  19.364   4.403
  866   1HZ   LYS 108          3HZ       LYS 108 -18.506  17.881   5.772
  867   2HZ   LYS 108          2HZ       LYS 108 -19.842  18.401   4.859
  868   3HZ   LYS 108          1HZ       LYS 108 -18.572  17.557   4.108
  869    H    ALA 109           H        ALA 109 -21.003  22.806   8.005
  870    HA   ALA 109           HA       ALA 109 -21.230  25.179   9.832
  871   1HB   ALA 109          3HB       ALA 109 -23.366  24.910   9.002
  872   2HB   ALA 109          1HB       ALA 109 -23.454  23.729  10.308
  873   3HB   ALA 109          2HB       ALA 109 -23.124  23.196   8.660
  874    H    VAL 110           H        VAL 110 -21.594  24.588  12.181
  875    HA   VAL 110           HA       VAL 110 -20.357  21.936  12.865
  876    HB   VAL 110           HB       VAL 110 -20.089  24.647  14.214
  877   1HG1  VAL 110          1HG1      VAL 110 -18.836  21.951  14.821
  878   2HG1  VAL 110          3HG1      VAL 110 -18.327  23.472  15.554
  879   3HG1  VAL 110          2HG1      VAL 110 -19.949  22.850  15.852
  880   1HG2  VAL 110          2HG2      VAL 110 -18.884  24.430  12.039
  881   2HG2  VAL 110          1HG2      VAL 110 -17.777  24.576  13.405
  882   3HG2  VAL 110          3HG2      VAL 110 -18.062  23.000  12.666
  883    H    VAL 111           H        VAL 111 -22.158  20.729  13.588
  884    HA   VAL 111           HA       VAL 111 -23.753  21.944  15.808
  885    HB   VAL 111           HB       VAL 111 -25.786  20.986  14.733
  886   1HG1  VAL 111          3HG1      VAL 111 -24.686  23.334  14.208
  887   2HG1  VAL 111          2HG1      VAL 111 -24.452  22.626  12.609
  888   3HG1  VAL 111          1HG1      VAL 111 -26.077  22.773  13.279
  889   1HG2  VAL 111          2HG2      VAL 111 -24.553  19.185  13.480
  890   2HG2  VAL 111          1HG2      VAL 111 -25.674  20.097  12.469
  891   3HG2  VAL 111          3HG2      VAL 111 -23.943  20.425  12.385
  892    H    GLN 112           H        GLN 112 -24.275  20.432  17.467
  893    HA   GLN 112           HA       GLN 112 -23.498  17.578  16.963
  894   1HB   GLN 112          1HB       GLN 112 -21.962  19.311  18.325
  895   2HB   GLN 112          2HB       GLN 112 -23.051  18.843  19.631
  896   1HG   GLN 112          1HG       GLN 112 -22.292  16.673  19.677
  897   2HG   GLN 112          2HG       GLN 112 -21.945  16.649  17.947
  898   1HE2  GLN 112          1HE2      GLN 112 -20.485  16.994  21.063
  899   2HE2  GLN 112          2HE2      GLN 112 -18.965  17.527  20.526
  900    H    ALA 113           H        ALA 113 -24.925  16.044  17.926
  901    HA   ALA 113           HA       ALA 113 -27.212  17.196  19.497
  902   1HB   ALA 113          2HB       ALA 113 -27.016  15.086  17.342
  903   2HB   ALA 113          3HB       ALA 113 -28.010  16.542  17.355
  904   3HB   ALA 113          1HB       ALA 113 -28.421  15.186  18.405
  905    H    LYS 114           H        LYS 114 -26.684  16.589  21.643
  906    HA   LYS 114           HA       LYS 114 -25.980  13.701  22.075
  907   1HB   LYS 114          1HB       LYS 114 -24.249  15.547  22.514
  908   2HB   LYS 114          2HB       LYS 114 -25.283  16.050  23.851
  909   1HG   LYS 114          1HG       LYS 114 -23.917  14.569  24.978
  910   2HG   LYS 114          2HG       LYS 114 -25.167  13.449  24.436
  911   1HD   LYS 114          1HD       LYS 114 -23.835  12.561  22.745
  912   2HD   LYS 114          2HD       LYS 114 -22.828  14.005  22.641
  913   1HE   LYS 114          1HE       LYS 114 -21.923  13.455  24.935
  914   2HE   LYS 114          2HE       LYS 114 -22.797  11.912  24.842
  915   1HZ   LYS 114          1HZ       LYS 114 -21.693  11.500  22.700
  916   2HZ   LYS 114          3HZ       LYS 114 -20.785  12.919  22.899
  917   3HZ   LYS 114          2HZ       LYS 114 -20.579  11.622  23.976
  918    H    LEU 115           H        LEU 115 -27.103  12.633  23.824
  919    HA   LEU 115           HA       LEU 115 -29.398  14.191  24.973
  920   1HB   LEU 115          1HB       LEU 115 -29.526  12.114  23.268
  921   2HB   LEU 115          2HB       LEU 115 -29.412  11.213  24.781
  922    HG   LEU 115           HG       LEU 115 -31.261  12.951  25.562
  923   1HD1  LEU 115          2HD1      LEU 115 -31.443  12.916  22.541
  924   2HD1  LEU 115          1HD1      LEU 115 -32.818  13.321  23.568
  925   3HD1  LEU 115          3HD1      LEU 115 -31.366  14.321  23.605
  926   1HD2  LEU 115          3HD2      LEU 115 -31.444  10.443  25.360
  927   2HD2  LEU 115          2HD2      LEU 115 -32.944  11.298  25.003
  928   3HD2  LEU 115          1HD2      LEU 115 -31.953  10.670  23.687
  929    H    THR 116           H        THR 116 -29.649  14.106  27.250
  930    HA   THR 116           HA       THR 116 -27.721  12.348  28.739
  931    HB   THR 116           HB       THR 116 -28.727  15.100  29.517
  932    HG1  THR 116           HG1      THR 116 -26.910  15.901  28.618
  933   1HG2  THR 116          1HG2      THR 116 -26.574  13.244  30.540
  934   2HG2  THR 116          3HG2      THR 116 -26.599  14.964  30.933
  935   3HG2  THR 116          2HG2      THR 116 -27.935  13.926  31.431
  936    H    THR 117           H        THR 117 -28.626  11.188  30.503
  937    HA   THR 117           HA       THR 117 -31.501  11.762  31.150
  938    HB   THR 117           HB       THR 117 -31.633   9.215  31.367
  939    HG1  THR 117           HG1      THR 117 -29.517   8.657  31.439
  940   1HG2  THR 117          2HG2      THR 117 -32.395  10.622  29.374
  941   2HG2  THR 117          1HG2      THR 117 -30.884  10.156  28.595
  942   3HG2  THR 117          3HG2      THR 117 -32.063   8.923  29.041

  No H/Q in entry =         942
  Start of MODEL    3
    1    H1   MET   1           H        MET   1 -14.177 -18.818 -11.935
    2    H2   MET   1           HN2      MET   1 -13.780 -20.429 -11.568
    3    HA   MET   1           HA       MET   1 -12.748 -19.036  -9.927
    4   1HB   MET   1          1HB       MET   1 -10.969 -20.182 -12.099
    5   2HB   MET   1          2HB       MET   1 -10.360 -19.689 -10.518
    6   1HG   MET   1          1HG       MET   1 -12.263 -21.214  -9.582
    7   2HG   MET   1          2HG       MET   1 -12.251 -21.930 -11.194
    8   1HE   MET   1          2HE       MET   1 -11.990 -23.782  -9.279
    9   2HE   MET   1          1HE       MET   1 -11.237 -24.402 -10.746
   10   3HE   MET   1          3HE       MET   1 -10.431 -24.598  -9.184
   11    H    ALA   2           H        ALA   2 -13.460 -16.734 -10.483
   12    HA   ALA   2           HA       ALA   2 -11.156 -15.204 -11.632
   13   1HB   ALA   2          2HB       ALA   2 -13.344 -15.715 -13.084
   14   2HB   ALA   2          1HB       ALA   2 -13.968 -14.339 -12.175
   15   3HB   ALA   2          3HB       ALA   2 -12.529 -14.155 -13.178
   16    H    GLU   3           H        GLU   3 -10.656 -14.666  -9.330
   17    HA   GLU   3           HA       GLU   3 -12.554 -12.625  -8.219
   18   1HB   GLU   3          1HB       GLU   3 -11.212 -15.019  -6.981
   19   2HB   GLU   3          2HB       GLU   3 -11.622 -13.630  -5.974
   20   1HG   GLU   3          1HG       GLU   3 -13.976 -13.781  -6.913
   21   2HG   GLU   3          2HG       GLU   3 -13.509 -15.326  -7.624
   22    H    GLN   4           H        GLN   4 -11.392 -11.066  -6.695
   23    HA   GLN   4           HA       GLN   4  -8.529 -10.712  -7.532
   24   1HB   GLN   4          1HB       GLN   4 -10.847  -8.862  -7.016
   25   2HB   GLN   4          2HB       GLN   4  -9.198  -8.259  -6.852
   26   1HG   GLN   4          1HG       GLN   4  -8.790  -8.367  -9.098
   27   2HG   GLN   4          2HG       GLN   4  -9.750  -9.831  -9.307
   28   1HE2  GLN   4          1HE2      GLN   4 -10.681  -6.568  -8.003
   29   2HE2  GLN   4          2HE2      GLN   4 -11.952  -6.350  -9.105
   30    H    ARG   5           H        ARG   5  -6.996 -10.591  -5.845
   31    HA   ARG   5           HA       ARG   5  -8.074 -10.375  -3.052
   32   1HB   ARG   5          1HB       ARG   5  -7.264 -12.661  -4.021
   33   2HB   ARG   5          2HB       ARG   5  -5.648 -11.979  -3.838
   34   1HG   ARG   5          1HG       ARG   5  -5.745 -12.000  -1.543
   35   2HG   ARG   5          2HG       ARG   5  -7.486 -11.719  -1.510
   36   1HD   ARG   5          1HD       ARG   5  -7.973 -13.958  -1.576
   37   2HD   ARG   5          2HD       ARG   5  -6.633 -14.314  -2.683
   38    HE   ARG   5           HE       ARG   5  -6.308 -13.867   0.258
   39   1HH1  ARG   5          1HH1      ARG   5  -3.732 -13.408  -0.373
   40   2HH1  ARG   5          2HH1      ARG   5  -3.002 -14.916  -0.812
   41   1HH2  ARG   5          1HH2      ARG   5  -6.026 -16.523  -1.361
   42   2HH2  ARG   5          2HH2      ARG   5  -4.301 -16.680  -1.372
   43    H    PHE   6           H        PHE   6  -7.228  -8.545  -2.054
   44    HA   PHE   6           HA       PHE   6  -4.565  -7.536  -3.014
   45   1HB   PHE   6          1HB       PHE   6  -7.171  -6.347  -2.419
   46   2HB   PHE   6          2HB       PHE   6  -5.881  -5.551  -1.520
   47    HD1  PHE   6           HD1      PHE   6  -7.517  -5.861  -4.691
   48    HD2  PHE   6           HD2      PHE   6  -3.774  -4.823  -2.850
   49    HE1  PHE   6           HE1      PHE   6  -6.844  -4.640  -6.741
   50    HE2  PHE   6           HE2      PHE   6  -3.105  -3.605  -4.900
   51    HZ   PHE   6           HZ       PHE   6  -4.639  -3.512  -6.846
   52    H    CYS   7           H        CYS   7  -2.951  -7.100  -1.409
   53    HA   CYS   7           HA       CYS   7  -3.711  -7.668   1.426
   54   1HB   CYS   7          1HB       CYS   7  -1.660  -9.054   1.612
   55   2HB   CYS   7          2HB       CYS   7  -2.764  -9.699   0.402
   56    HG   CYS   7           HG       CYS   7  -0.010  -8.423  -0.178
   57    H    VAL   8           H        VAL   8  -1.981  -6.811   2.992
   58    HA   VAL   8           HA       VAL   8  -0.530  -4.485   1.758
   59    HB   VAL   8           HB       VAL   8  -1.103  -3.248   3.833
   60   1HG1  VAL   8          1HG1      VAL   8  -2.578  -3.172   1.826
   61   2HG1  VAL   8          3HG1      VAL   8  -3.519  -4.500   2.502
   62   3HG1  VAL   8          2HG1      VAL   8  -3.470  -2.945   3.330
   63   1HG2  VAL   8          2HG2      VAL   8  -1.317  -5.385   5.228
   64   2HG2  VAL   8          1HG2      VAL   8  -2.562  -4.166   5.493
   65   3HG2  VAL   8          3HG2      VAL   8  -2.911  -5.582   4.504
   66    H    ASP   9           H        ASP   9   1.612  -4.155   2.456
   67    HA   ASP   9           HA       ASP   9   2.607  -5.728   4.784
   68   1HB   ASP   9          1HB       ASP   9   3.162  -6.146   1.895
   69   2HB   ASP   9          2HB       ASP   9   4.567  -6.203   2.960
   70    H    TYR  10           H        TYR  10   3.129  -3.759   5.900
   71    HA   TYR  10           HA       TYR  10   4.284  -1.409   4.789
   72   1HB   TYR  10          1HB       TYR  10   4.209  -2.720   7.472
   73   2HB   TYR  10          2HB       TYR  10   5.381  -1.420   7.254
   74    HD1  TYR  10           HD1      TYR  10   4.501   0.777   6.158
   75    HD2  TYR  10           HD2      TYR  10   1.960  -2.200   7.936
   76    HE1  TYR  10           HE1      TYR  10   2.689   2.455   6.380
   77    HE2  TYR  10           HE2      TYR  10   0.151  -0.521   8.155
   78    HH   TYR  10           HH       TYR  10  -0.030   2.212   6.526
   79    H    ALA  11           H        ALA  11   6.530  -0.657   4.698
   80    HA   ALA  11           HA       ALA  11   8.463  -2.918   4.295
   81   1HB   ALA  11          1HB       ALA  11   7.658  -1.011   2.567
   82   2HB   ALA  11          2HB       ALA  11   9.282  -1.695   2.521
   83   3HB   ALA  11          3HB       ALA  11   8.998  -0.151   3.324
   84    H    LYS  12           H        LYS  12  10.246  -3.048   5.665
   85    HA   LYS  12           HA       LYS  12  10.800  -0.679   7.427
   86   1HB   LYS  12          1HB       LYS  12  11.142  -3.666   7.865
   87   2HB   LYS  12          2HB       LYS  12  11.582  -2.422   9.036
   88   1HG   LYS  12          1HG       LYS  12   9.353  -1.820   9.431
   89   2HG   LYS  12          2HG       LYS  12   8.797  -2.502   7.903
   90   1HD   LYS  12          1HD       LYS  12   8.706  -4.645   8.732
   91   2HD   LYS  12          2HD       LYS  12  10.050  -4.383   9.844
   92   1HE   LYS  12          1HE       LYS  12   8.391  -4.326  11.430
   93   2HE   LYS  12          2HE       LYS  12   8.164  -2.660  10.862
   94   1HZ   LYS  12          3HZ       LYS  12   6.855  -5.035   9.649
   95   2HZ   LYS  12          2HZ       LYS  12   6.103  -4.002  10.768
   96   3HZ   LYS  12          1HZ       LYS  12   6.580  -3.410   9.249
   97    H    ARG  13           H        ARG  13  12.473  -3.624   6.130
   98    HA   ARG  13           HA       ARG  13  14.905  -1.908   5.722
   99   1HB   ARG  13          1HB       ARG  13  14.559  -4.835   6.451
  100   2HB   ARG  13          2HB       ARG  13  16.116  -4.089   6.093
  101   1HG   ARG  13          1HG       ARG  13  15.548  -2.381   7.916
  102   2HG   ARG  13          2HG       ARG  13  14.244  -3.473   8.383
  103   1HD   ARG  13          1HD       ARG  13  17.143  -4.348   8.152
  104   2HD   ARG  13          2HD       ARG  13  16.382  -3.854   9.677
  105    HE   ARG  13           HE       ARG  13  15.392  -6.137   8.006
  106   1HH1  ARG  13          1HH1      ARG  13  13.377  -5.261   9.917
  107   2HH1  ARG  13          2HH1      ARG  13  13.754  -6.157  11.351
  108   1HH2  ARG  13          1HH2      ARG  13  16.965  -6.965  10.320
  109   2HH2  ARG  13          2HH2      ARG  13  15.785  -7.122  11.579
  110    H    GLY  14           H        GLY  14  16.243  -2.544   3.792
  111   1HA   GLY  14          2HA       GLY  14  15.054  -4.388   1.846
  112   2HA   GLY  14          1HA       GLY  14  16.542  -3.465   1.630
  113    H    THR  15           H        THR  15  15.591  -2.994  -0.592
  114    HA   THR  15           HA       THR  15  13.442  -0.904  -0.479
  115    HB   THR  15           HB       THR  15  15.985  -0.787  -2.125
  116    HG1  THR  15           HG1      THR  15  16.812   0.489  -0.542
  117   1HG2  THR  15          3HG2      THR  15  13.597   0.932  -1.732
  118   2HG2  THR  15          2HG2      THR  15  15.152   1.761  -1.806
  119   3HG2  THR  15          1HG2      THR  15  14.629   0.744  -3.149
  120    H    ALA  16           H        ALA  16  12.018  -0.939  -2.306
  121    HA   ALA  16           HA       ALA  16  12.662  -2.910  -4.463
  122   1HB   ALA  16          3HB       ALA  16   9.919  -2.616  -3.246
  123   2HB   ALA  16          2HB       ALA  16  10.571  -3.973  -4.163
  124   3HB   ALA  16          1HB       ALA  16  11.119  -3.681  -2.513
  125    H    GLY  17           H        GLY  17  11.928  -2.291  -6.547
  126   1HA   GLY  17          2HA       GLY  17  11.365  -0.697  -8.177
  127   2HA   GLY  17          1HA       GLY  17  11.252   0.510  -6.895
  128    H    CYS  18           H        CYS  18   9.207   1.364  -6.801
  129    HA   CYS  18           HA       CYS  18   6.849  -0.239  -6.357
  130   1HB   CYS  18          1HB       CYS  18   6.962   2.052  -5.622
  131   2HB   CYS  18          2HB       CYS  18   7.358   2.621  -7.235
  132    H    LYS  19           H        LYS  19   5.525  -1.315  -7.840
  133    HA   LYS  19           HA       LYS  19   6.251  -1.556 -10.620
  134   1HB   LYS  19          1HB       LYS  19   4.866  -3.171  -9.250
  135   2HB   LYS  19          2HB       LYS  19   3.526  -2.029  -9.353
  136   1HG   LYS  19          1HG       LYS  19   3.091  -2.531 -11.534
  137   2HG   LYS  19          2HG       LYS  19   4.799  -2.691 -11.941
  138   1HD   LYS  19          1HD       LYS  19   4.616  -4.853 -10.412
  139   2HD   LYS  19          2HD       LYS  19   2.911  -4.741 -10.849
  140   1HE   LYS  19          1HE       LYS  19   3.824  -6.088 -12.573
  141   2HE   LYS  19          2HE       LYS  19   3.816  -4.469 -13.298
  142   1HZ   LYS  19          3HZ       LYS  19   6.084  -4.160 -12.394
  143   2HZ   LYS  19          2HZ       LYS  19   6.085  -5.786 -11.902
  144   3HZ   LYS  19          1HZ       LYS  19   5.997  -5.395 -13.553
  145    H    LYS  20           H        LYS  20   5.311  -0.531 -12.523
  146    HA   LYS  20           HA       LYS  20   4.411   1.317 -13.704
  147   1HB   LYS  20          1HB       LYS  20   2.473   0.553 -11.553
  148   2HB   LYS  20          2HB       LYS  20   2.177   2.073 -12.397
  149   1HG   LYS  20          1HG       LYS  20   1.089   0.700 -13.873
  150   2HG   LYS  20          2HG       LYS  20   2.717   0.491 -14.519
  151   1HD   LYS  20          1HD       LYS  20   3.013  -1.581 -13.427
  152   2HD   LYS  20          2HD       LYS  20   1.680  -1.282 -12.310
  153   1HE   LYS  20          1HE       LYS  20   1.106  -1.392 -15.261
  154   2HE   LYS  20          2HE       LYS  20   1.295  -2.904 -14.352
  155   1HZ   LYS  20          2HZ       LYS  20  -0.443  -0.655 -13.490
  156   2HZ   LYS  20          1HZ       LYS  20  -1.013  -2.014 -14.334
  157   3HZ   LYS  20          3HZ       LYS  20  -0.341  -2.199 -12.787
  158    H    CYS  21           H        CYS  21   6.557   2.037 -11.997
  159    HA   CYS  21           HA       CYS  21   5.923   4.855 -11.410
  160   1HB   CYS  21          1HB       CYS  21   4.957   3.700  -9.502
  161   2HB   CYS  21          2HB       CYS  21   6.421   2.757  -9.276
  162    H    LYS  22           H        LYS  22   7.896   6.098 -10.973
  163    HA   LYS  22           HA       LYS  22  10.420   4.612 -11.629
  164   1HB   LYS  22          1HB       LYS  22   9.271   7.295 -12.181
  165   2HB   LYS  22          2HB       LYS  22  10.997   7.281 -11.817
  166   1HG   LYS  22          1HG       LYS  22  10.983   6.941 -14.133
  167   2HG   LYS  22          2HG       LYS  22  11.074   5.290 -13.517
  168   1HD   LYS  22          1HD       LYS  22   8.472   5.370 -13.580
  169   2HD   LYS  22          2HD       LYS  22   8.699   6.744 -14.663
  170   1HE   LYS  22          1HE       LYS  22   9.606   5.437 -16.353
  171   2HE   LYS  22          2HE       LYS  22  10.262   4.242 -15.215
  172   1HZ   LYS  22          3HZ       LYS  22   7.360   4.697 -15.655
  173   2HZ   LYS  22          2HZ       LYS  22   8.247   3.468 -16.420
  174   3HZ   LYS  22          1HZ       LYS  22   8.072   3.465 -14.730
  175    H    GLU  23           H        GLU  23   9.412   4.360  -8.979
  176    HA   GLU  23           HA       GLU  23  11.436   5.930  -7.444
  177   1HB   GLU  23          1HB       GLU  23   8.846   6.636  -7.534
  178   2HB   GLU  23          2HB       GLU  23   8.739   5.410  -6.275
  179   1HG   GLU  23          1HG       GLU  23   9.946   6.647  -4.772
  180   2HG   GLU  23          2HG       GLU  23  10.979   7.342  -6.022
  181    H    LYS  24           H        LYS  24  11.201   4.882  -4.967
  182    HA   LYS  24           HA       LYS  24  11.117   1.893  -5.271
  183   1HB   LYS  24          1HB       LYS  24  13.231   3.701  -4.059
  184   2HB   LYS  24          2HB       LYS  24  13.189   1.958  -3.801
  185   1HG   LYS  24          1HG       LYS  24  14.513   1.931  -5.665
  186   2HG   LYS  24          2HG       LYS  24  12.964   2.029  -6.501
  187   1HD   LYS  24          1HD       LYS  24  13.281   4.622  -6.176
  188   2HD   LYS  24          2HD       LYS  24  14.983   4.193  -5.998
  189   1HE   LYS  24          1HE       LYS  24  13.355   3.162  -8.329
  190   2HE   LYS  24          2HE       LYS  24  14.178   4.734  -8.393
  191   1HZ   LYS  24          1HZ       LYS  24  15.496   2.191  -7.603
  192   2HZ   LYS  24          3HZ       LYS  24  15.585   2.858  -9.161
  193   3HZ   LYS  24          2HZ       LYS  24  16.244   3.698  -7.839
  194    H    ILE  25           H        ILE  25  10.708   0.778  -3.213
  195    HA   ILE  25           HA       ILE  25   9.338   2.538  -1.202
  196    HB   ILE  25           HB       ILE  25   8.952  -0.384  -1.951
  197   1HG1  ILE  25          1HG1      ILE  25   7.013   1.886  -2.410
  198   2HG1  ILE  25          2HG1      ILE  25   8.249   1.487  -3.604
  199   1HG2  ILE  25          1HG2      ILE  25   8.055   1.211   0.318
  200   2HG2  ILE  25          3HG2      ILE  25   6.694   0.560  -0.594
  201   3HG2  ILE  25          2HG2      ILE  25   7.925  -0.524   0.053
  202   1HD1  ILE  25          2HD1      ILE  25   7.342  -0.965  -3.296
  203   2HD1  ILE  25          1HD1      ILE  25   5.901  -0.146  -2.693
  204   3HD1  ILE  25          3HD1      ILE  25   6.472   0.167  -4.332
  205    H    VAL  26           H        VAL  26  10.421   2.675   0.777
  206    HA   VAL  26           HA       VAL  26  11.631   0.291   1.979
  207    HB   VAL  26           HB       VAL  26  13.300   0.931   0.288
  208   1HG1  VAL  26          2HG1      VAL  26  12.501   3.490   0.696
  209   2HG1  VAL  26          1HG1      VAL  26  13.974   3.473   1.664
  210   3HG1  VAL  26          3HG1      VAL  26  14.041   3.067  -0.051
  211   1HG2  VAL  26          3HG2      VAL  26  13.812   0.332   2.875
  212   2HG2  VAL  26          2HG2      VAL  26  15.088   0.604   1.688
  213   3HG2  VAL  26          1HG2      VAL  26  14.605   1.905   2.777
  214    H    LYS  27           H        LYS  27  10.887   0.606   4.083
  215    HA   LYS  27           HA       LYS  27  10.568   1.608   6.182
  216   1HB   LYS  27          1HB       LYS  27  13.049   1.970   5.736
  217   2HB   LYS  27          2HB       LYS  27  12.632   3.604   5.220
  218   1HG   LYS  27          1HG       LYS  27  12.218   4.312   7.345
  219   2HG   LYS  27          2HG       LYS  27  11.467   2.786   7.813
  220   1HD   LYS  27          1HD       LYS  27  14.384   2.672   7.273
  221   2HD   LYS  27          2HD       LYS  27  13.904   3.579   8.707
  222   1HE   LYS  27          1HE       LYS  27  12.937   1.699   9.734
  223   2HE   LYS  27          2HE       LYS  27  12.742   0.841   8.191
  224   1HZ   LYS  27          3HZ       LYS  27  15.162   0.779   7.980
  225   2HZ   LYS  27          2HZ       LYS  27  15.324   1.530   9.495
  226   3HZ   LYS  27          1HZ       LYS  27  14.650  -0.025   9.383
  227    H    GLY  28           H        GLY  28   8.819   2.858   6.796
  228   1HA   GLY  28          2HA       GLY  28   8.543   5.613   5.937
  229   2HA   GLY  28          1HA       GLY  28   7.393   4.718   6.921
  230    H    VAL  29           H        VAL  29   7.620   2.680   4.346
  231    HA   VAL  29           HA       VAL  29   5.516   4.173   2.823
  232    HB   VAL  29           HB       VAL  29   7.771   2.375   1.871
  233   1HG1  VAL  29          1HG1      VAL  29   5.533   3.723   0.327
  234   2HG1  VAL  29          3HG1      VAL  29   6.941   2.964  -0.417
  235   3HG1  VAL  29          2HG1      VAL  29   5.791   1.986   0.496
  236   1HG2  VAL  29          2HG2      VAL  29   7.296   5.315   1.971
  237   2HG2  VAL  29          1HG2      VAL  29   8.807   4.417   2.100
  238   3HG2  VAL  29          3HG2      VAL  29   8.072   4.681   0.518
  239    H    CYS  30           H        CYS  30   3.610   2.983   2.474
  240    HA   CYS  30           HA       CYS  30   3.539   0.200   3.562
  241   1HB   CYS  30          1HB       CYS  30   1.896   2.171   4.096
  242   2HB   CYS  30          2HB       CYS  30   1.190   1.790   2.525
  243    HG   CYS  30           HG       CYS  30  -0.004  -0.048   3.667
  244    H    ARG  31           H        ARG  31   3.297  -1.589   2.170
  245    HA   ARG  31           HA       ARG  31   3.002  -0.954  -0.751
  246   1HB   ARG  31          1HB       ARG  31   4.406  -3.152   0.791
  247   2HB   ARG  31          2HB       ARG  31   4.198  -3.197  -0.959
  248   1HG   ARG  31          1HG       ARG  31   5.253  -0.820  -0.917
  249   2HG   ARG  31          2HG       ARG  31   5.810  -1.267   0.695
  250   1HD   ARG  31          1HD       ARG  31   6.264  -3.221  -1.535
  251   2HD   ARG  31          2HD       ARG  31   7.321  -1.799  -1.427
  252    HE   ARG  31           HE       ARG  31   7.730  -2.484   0.978
  253   1HH1  ARG  31          1HH1      ARG  31   5.741  -4.634   1.269
  254   2HH1  ARG  31          2HH1      ARG  31   6.664  -6.067   0.964
  255   1HH2  ARG  31          1HH2      ARG  31   9.286  -4.375  -0.549
  256   2HH2  ARG  31          2HH2      ARG  31   8.671  -5.921  -0.066
  257    H    ILE  32           H        ILE  32   1.162  -1.765  -1.769
  258    HA   ILE  32           HA       ILE  32  -0.472  -3.771  -0.260
  259    HB   ILE  32           HB       ILE  32  -1.340  -2.194  -2.702
  260   1HG1  ILE  32          1HG1      ILE  32  -1.601  -1.274   0.192
  261   2HG1  ILE  32          2HG1      ILE  32  -0.460  -0.586  -0.962
  262   1HG2  ILE  32          3HG2      ILE  32  -2.568  -4.193  -1.395
  263   2HG2  ILE  32          2HG2      ILE  32  -3.112  -2.843  -0.397
  264   3HG2  ILE  32          1HG2      ILE  32  -3.458  -2.859  -2.127
  265   1HD1  ILE  32          2HD1      ILE  32  -3.435  -0.701  -1.497
  266   2HD1  ILE  32          1HD1      ILE  32  -2.667   0.676  -0.707
  267   3HD1  ILE  32          3HD1      ILE  32  -2.219   0.242  -2.357
  268    H    GLY  33           H        GLY  33  -0.514  -5.880  -1.090
  269   1HA   GLY  33          2HA       GLY  33   0.592  -7.512  -2.523
  270   2HA   GLY  33          1HA       GLY  33   0.701  -6.281  -3.778
  271    H    LYS  34           H        LYS  34  -0.571  -6.990  -5.474
  272    HA   LYS  34           HA       LYS  34  -3.397  -7.762  -4.835
  273   1HB   LYS  34          1HB       LYS  34  -2.867  -5.750  -6.285
  274   2HB   LYS  34          2HB       LYS  34  -2.164  -6.862  -7.459
  275   1HG   LYS  34          1HG       LYS  34  -4.345  -8.071  -7.563
  276   2HG   LYS  34          2HG       LYS  34  -5.034  -6.859  -6.483
  277   1HD   LYS  34          1HD       LYS  34  -4.141  -5.141  -8.234
  278   2HD   LYS  34          2HD       LYS  34  -4.078  -6.530  -9.318
  279   1HE   LYS  34          1HE       LYS  34  -6.607  -6.327  -7.807
  280   2HE   LYS  34          2HE       LYS  34  -6.321  -4.986  -8.933
  281   1HZ   LYS  34          1HZ       LYS  34  -5.656  -6.709 -10.598
  282   2HZ   LYS  34          3HZ       LYS  34  -6.246  -7.892  -9.534
  283   3HZ   LYS  34          2HZ       LYS  34  -7.303  -6.730 -10.182
  284    H    VAL  35           H        VAL  35  -3.619 -10.017  -4.830
  285    HA   VAL  35           HA       VAL  35  -1.806 -11.621  -6.581
  286    HB   VAL  35           HB       VAL  35  -3.805 -12.443  -4.442
  287   1HG1  VAL  35          1HG1      VAL  35  -3.161 -14.173  -6.185
  288   2HG1  VAL  35          3HG1      VAL  35  -1.500 -14.022  -5.611
  289   3HG1  VAL  35          2HG1      VAL  35  -2.760 -14.606  -4.523
  290   1HG2  VAL  35          2HG2      VAL  35  -1.818 -10.993  -3.731
  291   2HG2  VAL  35          1HG2      VAL  35  -1.959 -12.556  -2.929
  292   3HG2  VAL  35          3HG2      VAL  35  -0.788 -12.335  -4.229
  293    H    VAL  36           H        VAL  36  -2.596 -11.963  -8.661
  294    HA   VAL  36           HA       VAL  36  -5.531 -12.538  -8.941
  295    HB   VAL  36           HB       VAL  36  -3.564 -11.254 -10.872
  296   1HG1  VAL  36          2HG1      VAL  36  -5.754 -12.656 -11.595
  297   2HG1  VAL  36          1HG1      VAL  36  -6.513 -11.102 -11.254
  298   3HG1  VAL  36          3HG1      VAL  36  -5.227 -11.211 -12.455
  299   1HG2  VAL  36          2HG2      VAL  36  -5.724 -10.143  -9.066
  300   2HG2  VAL  36          1HG2      VAL  36  -4.026  -9.669  -9.150
  301   3HG2  VAL  36          3HG2      VAL  36  -5.124  -9.254 -10.467
  302    HA   PRO  37           HA       PRO  37  -3.535 -16.398 -10.264
  303   1HB   PRO  37          1HB       PRO  37  -5.804 -17.928 -10.280
  304   2HB   PRO  37          2HB       PRO  37  -4.899 -17.561  -8.798
  305   1HG   PRO  37          1HG       PRO  37  -7.403 -16.339  -9.838
  306   2HG   PRO  37          2HG       PRO  37  -6.938 -16.720  -8.173
  307   1HD   PRO  37          1HD       PRO  37  -6.840 -14.207  -9.244
  308   2HD   PRO  37          2HD       PRO  37  -5.811 -14.753  -7.902
  309    H    ASN  38           H        ASN  38  -3.123 -16.793 -12.452
  310    HA   ASN  38           HA       ASN  38  -5.221 -15.970 -14.425
  311   1HB   ASN  38          1HB       ASN  38  -2.235 -16.155 -14.361
  312   2HB   ASN  38          2HB       ASN  38  -3.038 -16.337 -15.921
  313   1HD2  ASN  38          2HD2      ASN  38  -4.671 -14.491 -16.476
  314   2HD2  ASN  38          1HD2      ASN  38  -4.276 -12.934 -15.929
  315    HA   PRO  39           HA       PRO  39  -5.649 -20.445 -14.912
  316   1HB   PRO  39          1HB       PRO  39  -7.805 -20.385 -16.595
  317   2HB   PRO  39          2HB       PRO  39  -7.948 -20.176 -14.839
  318   1HG   PRO  39          1HG       PRO  39  -7.998 -18.137 -16.998
  319   2HG   PRO  39          2HG       PRO  39  -8.918 -18.208 -15.489
  320   1HD   PRO  39          1HD       PRO  39  -6.721 -16.616 -15.877
  321   2HD   PRO  39          2HD       PRO  39  -7.269 -17.191 -14.288
  322    H    PHE  40           H        PHE  40  -3.508 -20.154 -16.203
  323    HA   PHE  40           HA       PHE  40  -4.040 -20.761 -19.071
  324   1HB   PHE  40          1HB       PHE  40  -3.714 -18.313 -18.838
  325   2HB   PHE  40          2HB       PHE  40  -2.165 -18.600 -18.047
  326    HD1  PHE  40           HD1      PHE  40  -3.968 -18.549 -21.225
  327    HD2  PHE  40           HD2      PHE  40  -0.276 -19.611 -19.305
  328    HE1  PHE  40           HE1      PHE  40  -2.860 -18.697 -23.438
  329    HE2  PHE  40           HE2      PHE  40   0.832 -19.760 -21.517
  330    HZ   PHE  40           HZ       PHE  40  -0.460 -19.304 -23.585
  331    H    SER  41           H        SER  41  -1.251 -20.144 -16.830
  332    HA   SER  41           HA       SER  41   0.026 -22.626 -17.925
  333   1HB   SER  41          1HB       SER  41   1.003 -20.133 -17.822
  334   2HB   SER  41          2HB       SER  41   1.459 -20.645 -16.199
  335    HG   SER  41           HG       SER  41   2.198 -21.728 -18.702
  336    H    GLU  42           H        GLU  42   1.104 -24.083 -16.336
  337    HA   GLU  42           HA       GLU  42  -0.422 -24.199 -13.775
  338   1HB   GLU  42          1HB       GLU  42   1.497 -26.137 -15.120
  339   2HB   GLU  42          2HB       GLU  42   0.547 -26.489 -13.675
  340   1HG   GLU  42          1HG       GLU  42  -1.433 -26.634 -14.842
  341   2HG   GLU  42          2HG       GLU  42  -0.923 -25.466 -16.062
  342    H    SER  43           H        SER  43   2.975 -23.973 -14.936
  343    HA   SER  43           HA       SER  43   4.291 -24.196 -12.409
  344   1HB   SER  43          1HB       SER  43   5.959 -22.556 -13.647
  345   2HB   SER  43          2HB       SER  43   5.714 -24.186 -14.268
  346    HG   SER  43           HG       SER  43   5.484 -22.710 -15.944
  347    H    GLY  44           H        GLY  44   2.808 -21.315 -13.972
  348   1HA   GLY  44          2HA       GLY  44   2.900 -19.062 -13.078
  349   2HA   GLY  44          1HA       GLY  44   3.443 -19.726 -11.536
  350    H    GLY  45           H        GLY  45   1.867 -20.062  -9.957
  351   1HA   GLY  45          2HA       GLY  45  -0.298 -20.534  -9.098
  352   2HA   GLY  45          1HA       GLY  45  -0.922 -20.562 -10.748
  353    H    ASP  46           H        ASP  46   0.405 -18.239  -8.316
  354    HA   ASP  46           HA       ASP  46  -1.347 -16.135  -9.538
  355   1HB   ASP  46          1HB       ASP  46  -1.999 -15.527  -7.209
  356   2HB   ASP  46          2HB       ASP  46  -2.478 -17.174  -7.617
  357    H    MET  47           H        MET  47  -0.351 -14.073  -9.609
  358    HA   MET  47           HA       MET  47   2.358 -13.865  -8.326
  359   1HB   MET  47          1HB       MET  47   1.210 -13.208 -10.987
  360   2HB   MET  47          2HB       MET  47   2.359 -12.038 -10.337
  361   1HG   MET  47          1HG       MET  47   3.966 -13.915  -9.934
  362   2HG   MET  47          2HG       MET  47   2.833 -15.007 -10.733
  363   1HE   MET  47          1HE       MET  47   4.612 -11.819 -10.757
  364   2HE   MET  47          3HE       MET  47   5.270 -11.568 -12.381
  365   3HE   MET  47          2HE       MET  47   3.603 -11.123 -12.023
  366    H    LYS  48           H        LYS  48   2.870 -11.826  -7.293
  367    HA   LYS  48           HA       LYS  48   0.553  -9.945  -6.991
  368   1HB   LYS  48          1HB       LYS  48   1.207  -9.771  -4.603
  369   2HB   LYS  48          2HB       LYS  48   0.791 -11.427  -5.038
  370   1HG   LYS  48          1HG       LYS  48   3.096 -12.073  -5.147
  371   2HG   LYS  48          2HG       LYS  48   3.637 -10.398  -5.064
  372   1HD   LYS  48          1HD       LYS  48   3.246 -10.234  -2.795
  373   2HD   LYS  48          2HD       LYS  48   1.935 -11.416  -2.831
  374   1HE   LYS  48          1HE       LYS  48   3.635 -13.220  -3.240
  375   2HE   LYS  48          2HE       LYS  48   4.910 -12.005  -3.020
  376   1HZ   LYS  48          1HZ       LYS  48   3.954 -11.452  -0.861
  377   2HZ   LYS  48          3HZ       LYS  48   2.767 -12.647  -1.061
  378   3HZ   LYS  48          2HZ       LYS  48   4.401 -13.090  -0.919
  379    H    GLU  49           H        GLU  49   1.123  -7.702  -6.919
  380    HA   GLU  49           HA       GLU  49   4.037  -7.098  -7.319
  381   1HB   GLU  49          1HB       GLU  49   1.522  -5.922  -8.548
  382   2HB   GLU  49          2HB       GLU  49   3.130  -5.232  -8.769
  383   1HG   GLU  49          1HG       GLU  49   3.767  -6.857 -10.229
  384   2HG   GLU  49          2HG       GLU  49   2.967  -8.132  -9.309
  385    H    TRP  50           H        TRP  50   4.803  -5.170  -6.222
  386    HA   TRP  50           HA       TRP  50   3.036  -4.290  -3.985
  387   1HB   TRP  50          1HB       TRP  50   5.974  -3.909  -4.638
  388   2HB   TRP  50          2HB       TRP  50   5.199  -3.217  -3.214
  389    HD1  TRP  50           HD1      TRP  50   7.261  -5.974  -3.946
  390    HE1  TRP  50           HE1      TRP  50   6.825  -8.005  -2.421
  391    HE3  TRP  50           HE3      TRP  50   2.689  -4.691  -2.042
  392    HZ2  TRP  50           HZ2      TRP  50   4.809  -8.961  -0.634
  393    HZ3  TRP  50           HZ3      TRP  50   1.543  -6.179  -0.428
  394    HH2  TRP  50           HH2      TRP  50   2.593  -8.311   0.275
  395    H    TYR  51           H        TYR  51   2.559  -2.020  -3.622
  396    HA   TYR  51           HA       TYR  51   3.152  -0.202  -5.929
  397   1HB   TYR  51          1HB       TYR  51   0.522  -0.755  -4.523
  398   2HB   TYR  51          2HB       TYR  51   0.766   0.574  -5.653
  399    HD1  TYR  51           HD1      TYR  51   0.132  -2.964  -5.288
  400    HD2  TYR  51           HD2      TYR  51   1.466   0.055  -8.042
  401    HE1  TYR  51           HE1      TYR  51  -0.319  -4.497  -7.172
  402    HE2  TYR  51           HE2      TYR  51   1.016  -1.483  -9.933
  403    HH   TYR  51           HH       TYR  51   0.909  -4.321 -10.015
  404    H    HIS  52           H        HIS  52   2.515   2.155  -5.243
  405    HA   HIS  52           HA       HIS  52   3.630   2.657  -2.510
  406   1HB   HIS  52          1HB       HIS  52   3.487   4.025  -5.118
  407   2HB   HIS  52          2HB       HIS  52   3.218   5.099  -3.751
  408    HD2  HIS  52           HD2      HIS  52   5.450   4.005  -1.646
  409    HE1  HIS  52           HE1      HIS  52   8.242   4.229  -4.823
  410    HE2  HIS  52           HE2      HIS  52   7.949   4.063  -2.328
  411    H    ILE  53           H        ILE  53   2.430   4.991  -1.732
  412    HA   ILE  53           HA       ILE  53  -0.370   4.149  -1.228
  413    HB   ILE  53           HB       ILE  53   1.283   6.536  -0.320
  414   1HG1  ILE  53          1HG1      ILE  53   2.065   4.331   0.503
  415   2HG1  ILE  53          2HG1      ILE  53   1.407   5.310   1.813
  416   1HG2  ILE  53          2HG2      ILE  53  -1.508   6.300  -0.302
  417   2HG2  ILE  53          1HG2      ILE  53  -1.027   5.835   1.328
  418   3HG2  ILE  53          3HG2      ILE  53  -0.542   7.400   0.684
  419   1HD1  ILE  53          2HD1      ILE  53  -0.817   3.931   0.842
  420   2HD1  ILE  53          1HD1      ILE  53   0.480   2.736   0.780
  421   3HD1  ILE  53          3HD1      ILE  53   0.091   3.537   2.303
  422    H    LYS  54           H        LYS  54   1.370   6.782  -2.952
  423    HA   LYS  54           HA       LYS  54  -1.214   7.873  -3.914
  424   1HB   LYS  54          1HB       LYS  54   0.181   9.646  -4.882
  425   2HB   LYS  54          2HB       LYS  54   0.663   9.361  -3.212
  426   1HG   LYS  54          1HG       LYS  54   2.656   8.286  -3.836
  427   2HG   LYS  54          2HG       LYS  54   2.069   7.918  -5.457
  428   1HD   LYS  54          1HD       LYS  54   1.934  10.580  -5.609
  429   2HD   LYS  54          2HD       LYS  54   3.196  10.465  -4.381
  430   1HE   LYS  54          1HE       LYS  54   4.670   9.314  -5.824
  431   2HE   LYS  54          2HE       LYS  54   3.360   8.835  -6.923
  432   1HZ   LYS  54          3HZ       LYS  54   2.978  11.220  -7.363
  433   2HZ   LYS  54          2HZ       LYS  54   4.352  11.595  -6.437
  434   3HZ   LYS  54          1HZ       LYS  54   4.510  10.701  -7.873
  435    H    CYS  55           H        CYS  55   1.365   5.767  -5.129
  436    HA   CYS  55           HA       CYS  55   0.612   6.071  -7.943
  437   1HB   CYS  55          1HB       CYS  55   2.124   3.826  -6.561
  438   2HB   CYS  55          2HB       CYS  55   2.136   4.172  -8.287
  439    H    MET  56           H        MET  56  -0.100   3.665  -5.386
  440    HA   MET  56           HA       MET  56  -1.722   1.996  -7.153
  441   1HB   MET  56          1HB       MET  56  -0.567   1.682  -4.682
  442   2HB   MET  56          2HB       MET  56  -2.257   1.918  -4.238
  443   1HG   MET  56          1HG       MET  56  -1.452  -0.019  -6.410
  444   2HG   MET  56          2HG       MET  56  -1.502  -0.500  -4.713
  445   1HE   MET  56          3HE       MET  56  -2.894  -1.054  -7.578
  446   2HE   MET  56          2HE       MET  56  -4.656  -1.028  -7.520
  447   3HE   MET  56          1HE       MET  56  -3.772   0.446  -7.909
  448    H    PHE  57           H        PHE  57  -2.450   4.630  -4.834
  449    HA   PHE  57           HA       PHE  57  -5.344   4.342  -5.171
  450   1HB   PHE  57          1HB       PHE  57  -3.460   6.228  -3.829
  451   2HB   PHE  57          2HB       PHE  57  -5.057   6.860  -4.229
  452    HD1  PHE  57           HD1      PHE  57  -3.177   4.534  -2.116
  453    HD2  PHE  57           HD2      PHE  57  -7.106   5.764  -3.334
  454    HE1  PHE  57           HE1      PHE  57  -4.142   3.337  -0.185
  455    HE2  PHE  57           HE2      PHE  57  -8.077   4.563  -1.401
  456    HZ   PHE  57           HZ       PHE  57  -6.599   3.349   0.176
  457    H    GLU  58           H        GLU  58  -2.783   6.213  -6.818
  458    HA   GLU  58           HA       GLU  58  -4.539   7.978  -8.281
  459   1HB   GLU  58          1HB       GLU  58  -2.075   8.272  -8.085
  460   2HB   GLU  58          2HB       GLU  58  -1.836   6.827  -9.068
  461   1HG   GLU  58          1HG       GLU  58  -1.737   8.376 -10.759
  462   2HG   GLU  58          2HG       GLU  58  -3.491   8.200 -10.700
  463    H    LYS  59           H        LYS  59  -3.354   4.656  -8.946
  464    HA   LYS  59           HA       LYS  59  -4.447   4.463 -11.615
  465   1HB   LYS  59          1HB       LYS  59  -2.783   2.898 -10.506
  466   2HB   LYS  59          2HB       LYS  59  -4.126   2.235  -9.574
  467   1HG   LYS  59          1HG       LYS  59  -4.241   0.777 -11.339
  468   2HG   LYS  59          2HG       LYS  59  -5.185   2.083 -12.057
  469   1HD   LYS  59          1HD       LYS  59  -2.228   2.255 -12.352
  470   2HD   LYS  59          2HD       LYS  59  -3.049   1.008 -13.293
  471   1HE   LYS  59          1HE       LYS  59  -4.717   3.030 -13.836
  472   2HE   LYS  59          2HE       LYS  59  -3.254   3.983 -13.513
  473   1HZ   LYS  59          1HZ       LYS  59  -2.037   2.440 -14.988
  474   2HZ   LYS  59          3HZ       LYS  59  -3.506   1.694 -15.392
  475   3HZ   LYS  59          2HZ       LYS  59  -3.238   3.320 -15.805
  476    H    LEU  60           H        LEU  60  -5.838   3.715  -8.397
  477    HA   LEU  60           HA       LEU  60  -8.333   2.615  -9.316
  478   1HB   LEU  60          1HB       LEU  60  -7.200   2.931  -6.904
  479   2HB   LEU  60          2HB       LEU  60  -8.237   4.357  -6.873
  480    HG   LEU  60           HG       LEU  60 -10.164   2.836  -7.519
  481   1HD1  LEU  60          3HD1      LEU  60  -8.252   1.021  -8.119
  482   2HD1  LEU  60          2HD1      LEU  60  -8.619   0.522  -6.468
  483   3HD1  LEU  60          1HD1      LEU  60  -9.898   0.564  -7.681
  484   1HD2  LEU  60          2HD2      LEU  60  -8.684   2.879  -4.939
  485   2HD2  LEU  60          1HD2      LEU  60 -10.353   3.332  -5.287
  486   3HD2  LEU  60          3HD2      LEU  60  -9.923   1.633  -5.097
  487    H    GLU  61           H        GLU  61  -7.429   6.017  -8.530
  488    HA   GLU  61           HA       GLU  61  -9.956   7.227  -9.089
  489   1HB   GLU  61          1HB       GLU  61  -7.716   8.212  -8.165
  490   2HB   GLU  61          2HB       GLU  61  -7.327   8.493  -9.863
  491   1HG   GLU  61          1HG       GLU  61  -9.794   9.522  -9.865
  492   2HG   GLU  61          2HG       GLU  61  -9.420   9.771  -8.159
  493    H    ARG  62           H        ARG  62  -7.379   6.146 -11.316
  494    HA   ARG  62           HA       ARG  62  -9.024   7.091 -13.632
  495   1HB   ARG  62          1HB       ARG  62  -6.125   6.261 -13.287
  496   2HB   ARG  62          2HB       ARG  62  -6.844   6.625 -14.857
  497   1HG   ARG  62          1HG       ARG  62  -7.342   8.889 -14.188
  498   2HG   ARG  62          2HG       ARG  62  -6.881   8.551 -12.520
  499   1HD   ARG  62          1HD       ARG  62  -5.040   9.725 -13.645
  500   2HD   ARG  62          2HD       ARG  62  -4.548   8.049 -13.331
  501    HE   ARG  62           HE       ARG  62  -5.368   9.131 -15.979
  502   1HH1  ARG  62          1HH1      ARG  62  -6.143   6.910 -16.965
  503   2HH1  ARG  62          2HH1      ARG  62  -4.872   5.734 -16.963
  504   1HH2  ARG  62          1HH2      ARG  62  -2.917   7.461 -14.679
  505   2HH2  ARG  62          2HH2      ARG  62  -3.045   6.046 -15.669
  506    H    ALA  63           H        ALA  63  -9.623   4.560 -12.006
  507    HA   ALA  63           HA       ALA  63  -9.036   2.491 -14.094
  508   1HB   ALA  63          2HB       ALA  63  -8.704   2.516 -11.344
  509   2HB   ALA  63          1HB       ALA  63 -10.229   1.653 -11.537
  510   3HB   ALA  63          3HB       ALA  63  -8.775   1.062 -12.339
  511    H    ARG  64           H        ARG  64 -10.922   0.872 -14.413
  512    HA   ARG  64           HA       ARG  64 -13.310   2.275 -15.217
  513   1HB   ARG  64          1HB       ARG  64 -12.671  -0.653 -14.744
  514   2HB   ARG  64          2HB       ARG  64 -14.221  -0.116 -15.394
  515   1HG   ARG  64          1HG       ARG  64 -12.599   1.257 -17.034
  516   2HG   ARG  64          2HG       ARG  64 -11.523  -0.089 -16.659
  517   1HD   ARG  64          1HD       ARG  64 -12.707  -0.911 -18.522
  518   2HD   ARG  64          2HD       ARG  64 -13.662  -1.558 -17.172
  519    HE   ARG  64           HE       ARG  64 -15.303   0.180 -17.542
  520   1HH1  ARG  64          1HH1      ARG  64 -14.073   2.582 -18.295
  521   2HH1  ARG  64          2HH1      ARG  64 -14.173   2.647 -20.023
  522   1HH2  ARG  64          1HH2      ARG  64 -14.805  -0.745 -20.377
  523   2HH2  ARG  64          2HH2      ARG  64 -14.588   0.763 -21.202
  524    H    ALA  65           H        ALA  65 -15.496   2.135 -14.270
  525    HA   ALA  65           HA       ALA  65 -15.425   2.165 -11.306
  526   1HB   ALA  65          2HB       ALA  65 -17.524   2.781 -13.404
  527   2HB   ALA  65          1HB       ALA  65 -17.858   2.865 -11.675
  528   3HB   ALA  65          3HB       ALA  65 -16.645   3.928 -12.393
  529    H    THR  66           H        THR  66 -16.833   0.132 -13.905
  530    HA   THR  66           HA       THR  66 -18.628  -1.461 -12.408
  531    HB   THR  66           HB       THR  66 -16.864  -2.909 -14.310
  532    HG1  THR  66           HG1      THR  66 -17.442  -1.652 -16.030
  533   1HG2  THR  66          3HG2      THR  66 -19.112  -3.685 -13.490
  534   2HG2  THR  66          2HG2      THR  66 -19.836  -2.324 -14.348
  535   3HG2  THR  66          1HG2      THR  66 -18.988  -3.584 -15.246
  536    H    THR  67           H        THR  67 -15.049  -1.743 -12.565
  537    HA   THR  67           HA       THR  67 -15.218  -3.893 -10.476
  538    HB   THR  67           HB       THR  67 -12.840  -3.242 -12.220
  539    HG1  THR  67           HG1      THR  67 -14.307  -3.638 -13.750
  540   1HG2  THR  67          2HG2      THR  67 -13.792  -5.529 -10.538
  541   2HG2  THR  67          1HG2      THR  67 -12.766  -5.871 -11.931
  542   3HG2  THR  67          3HG2      THR  67 -12.183  -4.811 -10.646
  543    H    LYS  68           H        LYS  68 -14.685  -3.131  -8.424
  544    HA   LYS  68           HA       LYS  68 -12.717  -0.867  -8.257
  545   1HB   LYS  68          1HB       LYS  68 -15.360  -0.865  -7.571
  546   2HB   LYS  68          2HB       LYS  68 -14.629  -1.360  -6.045
  547   1HG   LYS  68          1HG       LYS  68 -14.705   1.033  -5.999
  548   2HG   LYS  68          2HG       LYS  68 -13.025   0.601  -6.320
  549   1HD   LYS  68          1HD       LYS  68 -13.339   0.987  -8.709
  550   2HD   LYS  68          2HD       LYS  68 -15.055   1.305  -8.460
  551   1HE   LYS  68          1HE       LYS  68 -13.118   2.940  -6.869
  552   2HE   LYS  68          2HE       LYS  68 -13.302   3.318  -8.594
  553   1HZ   LYS  68          2HZ       LYS  68 -15.529   3.014  -6.646
  554   2HZ   LYS  68          1HZ       LYS  68 -14.955   4.492  -7.257
  555   3HZ   LYS  68          3HZ       LYS  68 -15.696   3.376  -8.297
  556    H    LYS  69           H        LYS  69 -11.049  -1.088  -6.658
  557    HA   LYS  69           HA       LYS  69 -10.988  -3.722  -5.216
  558   1HB   LYS  69          1HB       LYS  69  -8.797  -2.082  -6.529
  559   2HB   LYS  69          2HB       LYS  69  -8.501  -3.527  -5.563
  560   1HG   LYS  69          1HG       LYS  69  -8.663  -4.588  -7.578
  561   2HG   LYS  69          2HG       LYS  69 -10.395  -4.472  -7.268
  562   1HD   LYS  69          1HD       LYS  69 -10.473  -2.337  -8.515
  563   2HD   LYS  69          2HD       LYS  69  -8.744  -2.472  -8.843
  564   1HE   LYS  69          1HE       LYS  69 -10.491  -4.794  -9.582
  565   2HE   LYS  69          2HE       LYS  69 -10.513  -3.356 -10.622
  566   1HZ   LYS  69          1HZ       LYS  69  -8.036  -3.415 -10.537
  567   2HZ   LYS  69          3HZ       LYS  69  -8.141  -4.929  -9.779
  568   3HZ   LYS  69          2HZ       LYS  69  -8.732  -4.729 -11.359
  569    H    ILE  70           H        ILE  70  -9.825  -3.651  -3.099
  570    HA   ILE  70           HA       ILE  70  -9.423  -2.676  -0.992
  571    HB   ILE  70           HB       ILE  70  -8.554  -0.402  -2.813
  572   1HG1  ILE  70          1HG1      ILE  70  -6.939  -2.678  -1.620
  573   2HG1  ILE  70          2HG1      ILE  70  -7.511  -2.637  -3.288
  574   1HG2  ILE  70          2HG2      ILE  70  -7.908  -1.075   0.073
  575   2HG2  ILE  70          1HG2      ILE  70  -7.011   0.105  -0.884
  576   3HG2  ILE  70          3HG2      ILE  70  -8.717   0.375  -0.525
  577   1HD1  ILE  70          2HD1      ILE  70  -6.315  -0.375  -3.477
  578   2HD1  ILE  70          1HD1      ILE  70  -5.527  -0.788  -1.954
  579   3HD1  ILE  70          3HD1      ILE  70  -5.284  -1.802  -3.378
  580    H    GLU  71           H        GLU  71 -11.553  -2.415  -0.114
  581    HA   GLU  71           HA       GLU  71 -12.893   0.209  -0.696
  582   1HB   GLU  71          1HB       GLU  71 -13.997  -2.024  -1.290
  583   2HB   GLU  71          2HB       GLU  71 -14.111  -2.320   0.445
  584   1HG   GLU  71          1HG       GLU  71 -16.179  -1.323  -0.032
  585   2HG   GLU  71          2HG       GLU  71 -15.216   0.046   0.526
  586    H    ASP  72           H        ASP  72 -13.300   1.586   1.085
  587    HA   ASP  72           HA       ASP  72 -13.103   2.412   3.286
  588   1HB   ASP  72          1HB       ASP  72 -14.709   0.198   3.232
  589   2HB   ASP  72          2HB       ASP  72 -13.513  -0.287   4.435
  590    H    LEU  73           H        LEU  73 -12.070   1.313   5.654
  591    HA   LEU  73           HA       LEU  73  -9.249   0.656   4.857
  592   1HB   LEU  73          1HB       LEU  73  -9.809   2.898   5.925
  593   2HB   LEU  73          2HB       LEU  73 -10.246   2.004   7.382
  594    HG   LEU  73           HG       LEU  73  -7.839   0.900   6.936
  595   1HD1  LEU  73          1HD1      LEU  73  -7.912   3.455   5.406
  596   2HD1  LEU  73          3HD1      LEU  73  -6.468   3.147   6.371
  597   3HD1  LEU  73          2HD1      LEU  73  -6.956   2.001   5.122
  598   1HD2  LEU  73          2HD2      LEU  73  -8.755   3.309   8.436
  599   2HD2  LEU  73          1HD2      LEU  73  -8.047   1.810   9.040
  600   3HD2  LEU  73          3HD2      LEU  73  -7.013   3.050   8.331
  601    H    THR  74           H        THR  74 -11.277  -1.429   5.238
  602    HA   THR  74           HA       THR  74  -9.990  -2.876   7.498
  603    HB   THR  74           HB       THR  74 -12.446  -3.499   8.160
  604    HG1  THR  74           HG1      THR  74 -13.577  -2.563   6.548
  605   1HG2  THR  74          2HG2      THR  74 -10.670  -1.873   9.265
  606   2HG2  THR  74          1HG2      THR  74 -11.814  -0.634   8.748
  607   3HG2  THR  74          3HG2      THR  74 -12.334  -1.914   9.844
  608    H    GLU  75           H        GLU  75  -9.855  -3.262   4.572
  609    HA   GLU  75           HA       GLU  75 -11.071  -5.994   4.441
  610   1HB   GLU  75          1HB       GLU  75 -11.440  -3.601   2.704
  611   2HB   GLU  75          2HB       GLU  75 -11.289  -5.154   1.881
  612   1HG   GLU  75          1HG       GLU  75 -13.588  -5.058   2.272
  613   2HG   GLU  75          2HG       GLU  75 -13.026  -5.961   3.680
  614    H    LEU  76           H        LEU  76  -8.273  -5.200   5.040
  615    HA   LEU  76           HA       LEU  76  -6.933  -6.236   2.566
  616   1HB   LEU  76          1HB       LEU  76  -6.324  -4.036   4.499
  617   2HB   LEU  76          2HB       LEU  76  -4.958  -4.921   3.824
  618    HG   LEU  76           HG       LEU  76  -5.493  -2.942   2.451
  619   1HD1  LEU  76          3HD1      LEU  76  -4.976  -5.457   1.532
  620   2HD1  LEU  76          2HD1      LEU  76  -6.467  -5.093   0.664
  621   3HD1  LEU  76          1HD1      LEU  76  -5.067  -4.033   0.495
  622   1HD2  LEU  76          1HD2      LEU  76  -8.075  -3.366   3.090
  623   2HD2  LEU  76          3HD2      LEU  76  -7.595  -2.452   1.660
  624   3HD2  LEU  76          2HD2      LEU  76  -8.047  -4.150   1.510
  625    H    GLU  77           H        GLU  77  -5.189  -7.766   2.946
  626    HA   GLU  77           HA       GLU  77  -5.622  -9.628   5.079
  627   1HB   GLU  77          1HB       GLU  77  -4.437  -9.899   2.789
  628   2HB   GLU  77          2HB       GLU  77  -2.997  -9.312   3.623
  629   1HG   GLU  77          1HG       GLU  77  -2.772 -11.598   3.960
  630   2HG   GLU  77          2HG       GLU  77  -3.675 -11.148   5.407
  631    H    GLY  78           H        GLY  78  -5.371  -8.984   7.231
  632   1HA   GLY  78          2HA       GLY  78  -2.738  -8.595   8.275
  633   2HA   GLY  78          1HA       GLY  78  -4.233  -8.387   9.179
  634    H    TRP  79           H        TRP  79  -5.477  -6.212   8.256
  635    HA   TRP  79           HA       TRP  79  -3.484  -4.067   7.735
  636   1HB   TRP  79          1HB       TRP  79  -5.455  -2.665   7.358
  637   2HB   TRP  79          2HB       TRP  79  -5.677  -4.192   6.513
  638    HD1  TRP  79           HD1      TRP  79  -7.753  -5.587   7.111
  639    HE1  TRP  79           HE1      TRP  79  -9.653  -5.367   8.836
  640    HE3  TRP  79           HE3      TRP  79  -5.940  -1.736   9.929
  641    HZ2  TRP  79           HZ2      TRP  79 -10.318  -3.767  11.111
  642    HZ3  TRP  79           HZ3      TRP  79  -7.227  -0.882  11.866
  643    HH2  TRP  79           HH2      TRP  79  -9.413  -1.892  12.461
  644    H    GLU  80           H        GLU  80  -5.714  -5.098  10.345
  645    HA   GLU  80           HA       GLU  80  -5.143  -2.821  12.069
  646   1HB   GLU  80          1HB       GLU  80  -7.121  -4.369  12.267
  647   2HB   GLU  80          2HB       GLU  80  -6.023  -5.637  12.816
  648   1HG   GLU  80          1HG       GLU  80  -5.917  -2.997  14.214
  649   2HG   GLU  80          2HG       GLU  80  -7.284  -4.060  14.556
  650    H    GLU  81           H        GLU  81  -3.741  -6.117  11.757
  651    HA   GLU  81           HA       GLU  81  -1.984  -6.048  13.987
  652   1HB   GLU  81          1HB       GLU  81  -0.640  -7.696  12.692
  653   2HB   GLU  81          2HB       GLU  81  -2.365  -8.044  12.607
  654   1HG   GLU  81          1HG       GLU  81  -2.006  -8.142  10.364
  655   2HG   GLU  81          2HG       GLU  81  -2.054  -6.385  10.452
  656    H    LEU  82           H        LEU  82  -1.652  -4.335  10.859
  657    HA   LEU  82           HA       LEU  82   1.183  -3.754  11.171
  658   1HB   LEU  82          1HB       LEU  82  -1.037  -2.348   9.642
  659   2HB   LEU  82          2HB       LEU  82   0.679  -2.008   9.440
  660    HG   LEU  82           HG       LEU  82  -0.630  -4.708   8.987
  661   1HD1  LEU  82          1HD1      LEU  82  -0.873  -2.567   7.354
  662   2HD1  LEU  82          3HD1      LEU  82   0.672  -3.199   6.784
  663   3HD1  LEU  82          2HD1      LEU  82  -0.764  -4.221   6.755
  664   1HD2  LEU  82          1HD2      LEU  82   2.174  -3.765   9.147
  665   2HD2  LEU  82          3HD2      LEU  82   1.518  -5.387   9.370
  666   3HD2  LEU  82          2HD2      LEU  82   1.808  -4.769   7.745
  667    H    GLU  83           H        GLU  83   1.637  -1.092  11.154
  668    HA   GLU  83           HA       GLU  83   1.223  -0.258  13.881
  669   1HB   GLU  83          1HB       GLU  83   2.186   1.021  11.339
  670   2HB   GLU  83          2HB       GLU  83   1.868   2.054  12.732
  671   1HG   GLU  83          1HG       GLU  83   3.269   0.089  13.948
  672   2HG   GLU  83          2HG       GLU  83   3.987   0.008  12.339
  673    H    ASP  84           H        ASP  84  -0.137   1.528  14.697
  674    HA   ASP  84           HA       ASP  84  -2.773   1.620  13.337
  675   1HB   ASP  84          1HB       ASP  84  -1.652   2.430  16.011
  676   2HB   ASP  84          2HB       ASP  84  -3.219   3.057  15.498
  677    H    ASN  85           H        ASN  85  -0.175   3.904  14.273
  678    HA   ASN  85           HA       ASN  85  -1.528   6.280  13.320
  679   1HB   ASN  85          1HB       ASN  85   0.528   6.104  14.844
  680   2HB   ASN  85          2HB       ASN  85   1.468   5.809  13.381
  681   1HD2  ASN  85          2HD2      ASN  85   2.479   7.751  12.742
  682   2HD2  ASN  85          1HD2      ASN  85   1.742   9.279  12.798
  683    H    GLU  86           H        GLU  86   0.806   4.057  11.750
  684    HA   GLU  86           HA       GLU  86   0.909   5.484   9.234
  685   1HB   GLU  86          1HB       GLU  86   1.334   2.553   9.923
  686   2HB   GLU  86          2HB       GLU  86   1.755   3.274   8.369
  687   1HG   GLU  86          1HG       GLU  86   3.265   4.862   9.522
  688   2HG   GLU  86          2HG       GLU  86   2.866   4.108  11.066
  689    H    LYS  87           H        LYS  87  -1.224   2.872  10.448
  690    HA   LYS  87           HA       LYS  87  -2.650   2.358   8.019
  691   1HB   LYS  87          1HB       LYS  87  -2.749   1.127  10.275
  692   2HB   LYS  87          2HB       LYS  87  -3.874   2.385  10.791
  693   1HG   LYS  87          1HG       LYS  87  -5.261   0.644   9.967
  694   2HG   LYS  87          2HG       LYS  87  -5.206   1.827   8.660
  695   1HD   LYS  87          1HD       LYS  87  -3.058   0.350   7.986
  696   2HD   LYS  87          2HD       LYS  87  -4.006  -0.891   8.805
  697   1HE   LYS  87          1HE       LYS  87  -5.836  -0.645   7.300
  698   2HE   LYS  87          2HE       LYS  87  -5.216   0.900   6.682
  699   1HZ   LYS  87          2HZ       LYS  87  -3.199  -0.323   5.959
  700   2HZ   LYS  87          1HZ       LYS  87  -3.972  -1.779   6.370
  701   3HZ   LYS  87          3HZ       LYS  87  -4.607  -0.801   5.138
  702    H    GLU  88           H        GLU  88  -3.155   4.871  10.522
  703    HA   GLU  88           HA       GLU  88  -5.622   5.946   9.550
  704   1HB   GLU  88          1HB       GLU  88  -4.064   6.495  11.642
  705   2HB   GLU  88          2HB       GLU  88  -3.459   7.761  10.574
  706   1HG   GLU  88          1HG       GLU  88  -6.041   8.205  10.173
  707   2HG   GLU  88          2HG       GLU  88  -6.194   7.418  11.744
  708    H    GLN  89           H        GLN  89  -2.249   6.583   8.493
  709    HA   GLN  89           HA       GLN  89  -2.793   8.769   6.725
  710   1HB   GLN  89          1HB       GLN  89  -0.560   7.493   7.505
  711   2HB   GLN  89          2HB       GLN  89  -0.778   6.698   5.946
  712   1HG   GLN  89          1HG       GLN  89  -0.469   8.658   4.745
  713   2HG   GLN  89          2HG       GLN  89  -1.018   9.681   6.074
  714   1HE2  GLN  89          1HE2      GLN  89   1.810   8.439   4.515
  715   2HE2  GLN  89          2HE2      GLN  89   2.928   8.907   5.703
  716    H    ILE  90           H        ILE  90  -3.003   5.238   6.168
  717    HA   ILE  90           HA       ILE  90  -3.571   5.408   3.333
  718    HB   ILE  90           HB       ILE  90  -4.339   3.332   5.428
  719   1HG1  ILE  90          1HG1      ILE  90  -2.140   3.152   3.365
  720   2HG1  ILE  90          2HG1      ILE  90  -1.856   3.905   4.933
  721   1HG2  ILE  90          3HG2      ILE  90  -4.379   3.215   2.396
  722   2HG2  ILE  90          2HG2      ILE  90  -4.510   1.799   3.439
  723   3HG2  ILE  90          1HG2      ILE  90  -5.760   3.042   3.480
  724   1HD1  ILE  90          3HD1      ILE  90  -2.989   1.117   4.592
  725   2HD1  ILE  90          2HD1      ILE  90  -1.278   1.454   4.856
  726   3HD1  ILE  90          1HD1      ILE  90  -2.461   1.873   6.094
  727    H    THR  91           H        THR  91  -5.703   5.409   6.232
  728    HA   THR  91           HA       THR  91  -8.222   5.359   4.887
  729    HB   THR  91           HB       THR  91  -7.724   7.077   7.315
  730    HG1  THR  91           HG1      THR  91  -7.474   5.274   8.538
  731   1HG2  THR  91          1HG2      THR  91  -9.928   5.395   6.189
  732   2HG2  THR  91          3HG2      THR  91  -9.826   5.581   7.940
  733   3HG2  THR  91          2HG2      THR  91 -10.002   7.003   6.911
  734    H    GLN  92           H        GLN  92  -6.040   8.115   5.564
  735    HA   GLN  92           HA       GLN  92  -7.771  10.238   4.728
  736   1HB   GLN  92          1HB       GLN  92  -5.340  10.198   5.768
  737   2HB   GLN  92          2HB       GLN  92  -4.827  10.234   4.081
  738   1HG   GLN  92          1HG       GLN  92  -5.886  12.317   3.684
  739   2HG   GLN  92          2HG       GLN  92  -6.857  12.196   5.152
  740   1HE2  GLN  92          1HE2      GLN  92  -3.633  13.039   3.910
  741   2HE2  GLN  92          2HE2      GLN  92  -3.045  13.648   5.381
  742    H    HIS  93           H        HIS  93  -5.605   8.115   2.796
  743    HA   HIS  93           HA       HIS  93  -5.954   9.434   0.267
  744   1HB   HIS  93          1HB       HIS  93  -5.162   6.712   1.223
  745   2HB   HIS  93          2HB       HIS  93  -5.627   6.853  -0.472
  746    HD1  HIS  93           HD1      HIS  93  -3.755   7.479  -1.978
  747    HD2  HIS  93           HD2      HIS  93  -3.123   8.884   1.890
  748    HE1  HIS  93           HE1      HIS  93  -1.485   8.599  -1.985
  749    H    ILE  94           H        ILE  94  -7.776   6.633   1.649
  750    HA   ILE  94           HA       ILE  94  -9.670   6.459  -0.515
  751    HB   ILE  94           HB       ILE  94  -9.929   5.714   2.423
  752   1HG1  ILE  94          1HG1      ILE  94  -9.490   3.697   0.279
  753   2HG1  ILE  94          2HG1      ILE  94  -8.124   4.747   0.649
  754   1HG2  ILE  94          3HG2      ILE  94 -11.557   4.902  -0.006
  755   2HG2  ILE  94          2HG2      ILE  94 -11.650   4.096   1.560
  756   3HG2  ILE  94          1HG2      ILE  94 -12.137   5.783   1.408
  757   1HD1  ILE  94          2HD1      ILE  94  -8.615   4.175   3.124
  758   2HD1  ILE  94          1HD1      ILE  94  -9.569   2.840   2.477
  759   3HD1  ILE  94          3HD1      ILE  94  -7.843   2.940   2.127
  760    H    ALA  95           H        ALA  95  -9.714   8.351   2.529
  761    HA   ALA  95           HA       ALA  95 -12.390   9.396   2.196
  762   1HB   ALA  95          3HB       ALA  95  -9.974  10.642   3.564
  763   2HB   ALA  95          2HB       ALA  95 -11.660  11.077   3.852
  764   3HB   ALA  95          1HB       ALA  95 -11.069   9.481   4.315
  765    H    ASP  96           H        ASP  96  -9.183  10.593   1.124
  766    HA   ASP  96           HA       ASP  96 -10.257  13.028  -0.090
  767   1HB   ASP  96          1HB       ASP  96  -7.668  11.491  -0.162
  768   2HB   ASP  96          2HB       ASP  96  -7.934  12.769  -1.349
  769    H    LEU  97           H        LEU  97  -9.425   9.753  -1.309
  770    HA   LEU  97           HA       LEU  97 -10.077  10.332  -4.087
  771   1HB   LEU  97          1HB       LEU  97  -8.638   8.448  -3.335
  772   2HB   LEU  97          2HB       LEU  97 -10.032   7.704  -2.553
  773    HG   LEU  97           HG       LEU  97 -11.154   7.815  -4.880
  774   1HD1  LEU  97          2HD1      LEU  97  -8.270   8.428  -5.516
  775   2HD1  LEU  97          1HD1      LEU  97  -9.306   7.617  -6.690
  776   3HD1  LEU  97          3HD1      LEU  97  -9.723   9.231  -6.113
  777   1HD2  LEU  97          1HD2      LEU  97  -9.013   5.988  -3.901
  778   2HD2  LEU  97          3HD2      LEU  97 -10.695   5.637  -4.300
  779   3HD2  LEU  97          2HD2      LEU  97  -9.500   5.802  -5.586
  780    H    SER  98           H        SER  98 -11.997   9.162  -1.289
  781    HA   SER  98           HA       SER  98 -14.384   8.833  -3.051
  782   1HB   SER  98          1HB       SER  98 -13.996   7.057  -1.471
  783   2HB   SER  98          2HB       SER  98 -13.749   8.200  -0.151
  784    HG   SER  98           HG       SER  98 -15.820   7.540   0.060
  785    H    SER  99           H        SER  99 -13.869  10.336   0.206
  786    HA   SER  99           HA       SER  99 -14.839  12.273   1.144
  787   1HB   SER  99          1HB       SER  99 -13.397  13.434  -0.333
  788   2HB   SER  99          2HB       SER  99 -14.315  12.943  -1.753
  789    HG   SER  99           HG       SER  99 -14.961  14.847   0.233
  790    H    LYS 100           H        LYS 100 -16.969  11.463   1.708
  791    HA   LYS 100           HA       LYS 100 -19.122  12.332  -0.179
  792   1HB   LYS 100          1HB       LYS 100 -18.315   9.742   0.061
  793   2HB   LYS 100          2HB       LYS 100 -19.530   9.812   1.337
  794   1HG   LYS 100          1HG       LYS 100 -21.260  10.121  -0.137
  795   2HG   LYS 100          2HG       LYS 100 -20.272  11.056  -1.260
  796   1HD   LYS 100          1HD       LYS 100 -19.045   8.674  -1.507
  797   2HD   LYS 100          2HD       LYS 100 -20.660   8.110  -1.078
  798   1HE   LYS 100          1HE       LYS 100 -21.558   8.789  -3.072
  799   2HE   LYS 100          2HE       LYS 100 -20.580  10.270  -3.114
  800   1HZ   LYS 100          3HZ       LYS 100 -19.494   7.535  -3.523
  801   2HZ   LYS 100          2HZ       LYS 100 -19.887   8.600  -4.787
  802   3HZ   LYS 100          1HZ       LYS 100 -18.651   8.998  -3.692
  803    H    ALA 101           H        ALA 101 -19.379  14.163   1.388
  804    HA   ALA 101           HA       ALA 101 -20.901  13.310   3.820
  805   1HB   ALA 101          1HB       ALA 101 -18.385  14.881   3.557
  806   2HB   ALA 101          3HB       ALA 101 -19.560  15.476   4.730
  807   3HB   ALA 101          2HB       ALA 101 -18.922  13.838   4.873
  808    H    ALA 102           H        ALA 102 -22.138  15.309   4.746
  809    HA   ALA 102           HA       ALA 102 -22.758  17.323   2.625
  810   1HB   ALA 102          1HB       ALA 102 -25.224  16.782   3.581
  811   2HB   ALA 102          3HB       ALA 102 -24.531  15.906   2.216
  812   3HB   ALA 102          2HB       ALA 102 -24.473  15.206   3.834
  813    H    GLY 103           H        GLY 103 -21.603  18.859   4.083
  814   1HA   GLY 103          2HA       GLY 103 -21.517  19.566   6.563
  815   2HA   GLY 103          1HA       GLY 103 -23.277  19.598   6.448
  816    H    THR 104           H        THR 104 -20.288  21.248   5.505
  817    HA   THR 104           HA       THR 104 -21.963  23.540   4.524
  818    HB   THR 104           HB       THR 104 -19.230  23.729   5.790
  819    HG1  THR 104           HG1      THR 104 -20.195  23.803   7.765
  820   1HG2  THR 104          3HG2      THR 104 -21.595  25.571   5.419
  821   2HG2  THR 104          2HG2      THR 104 -20.276  25.942   6.530
  822   3HG2  THR 104          1HG2      THR 104 -19.954  25.772   4.805
  823    HA   PRO 105           HA       PRO 105 -19.131  22.239   1.100
  824   1HB   PRO 105          1HB       PRO 105 -20.931  22.623  -0.924
  825   2HB   PRO 105          2HB       PRO 105 -20.820  21.107  -0.006
  826   1HG   PRO 105          1HG       PRO 105 -22.763  23.343   0.261
  827   2HG   PRO 105          2HG       PRO 105 -23.024  21.598   0.397
  828   1HD   PRO 105          1HD       PRO 105 -22.822  23.270   2.545
  829   2HD   PRO 105          2HD       PRO 105 -22.398  21.546   2.595
  830    H    LYS 106           H        LYS 106 -19.020  23.669  -1.212
  831    HA   LYS 106           HA       LYS 106 -19.022  26.537  -0.321
  832   1HB   LYS 106          1HB       LYS 106 -17.083  24.735  -1.647
  833   2HB   LYS 106          2HB       LYS 106 -17.192  26.348  -2.351
  834   1HG   LYS 106          1HG       LYS 106 -16.695  27.390  -0.240
  835   2HG   LYS 106          2HG       LYS 106 -16.848  25.857   0.618
  836   1HD   LYS 106          1HD       LYS 106 -14.888  25.858  -1.602
  837   2HD   LYS 106          2HD       LYS 106 -14.468  26.888  -0.234
  838   1HE   LYS 106          1HE       LYS 106 -13.605  24.912   0.588
  839   2HE   LYS 106          2HE       LYS 106 -15.286  24.654   1.092
  840   1HZ   LYS 106          2HZ       LYS 106 -14.276  23.910  -1.597
  841   2HZ   LYS 106          1HZ       LYS 106 -14.293  22.822  -0.291
  842   3HZ   LYS 106          3HZ       LYS 106 -15.749  23.463  -0.878
  843    H    LYS 107           H        LYS 107 -19.943  28.068  -1.775
  844    HA   LYS 107           HA       LYS 107 -21.063  26.949  -4.328
  845   1HB   LYS 107          1HB       LYS 107 -22.217  28.489  -2.058
  846   2HB   LYS 107          2HB       LYS 107 -22.758  28.961  -3.670
  847   1HG   LYS 107          1HG       LYS 107 -22.683  26.047  -2.969
  848   2HG   LYS 107          2HG       LYS 107 -24.010  27.035  -2.359
  849   1HD   LYS 107          1HD       LYS 107 -23.238  27.162  -5.266
  850   2HD   LYS 107          2HD       LYS 107 -24.288  25.872  -4.677
  851   1HE   LYS 107          1HE       LYS 107 -25.850  27.564  -3.753
  852   2HE   LYS 107          2HE       LYS 107 -24.807  28.854  -4.384
  853   1HZ   LYS 107          2HZ       LYS 107 -25.972  26.667  -6.026
  854   2HZ   LYS 107          1HZ       LYS 107 -26.601  28.244  -5.943
  855   3HZ   LYS 107          3HZ       LYS 107 -25.057  27.982  -6.594
  856    H    LYS 108           H        LYS 108 -18.971  27.842  -5.306
  857    HA   LYS 108           HA       LYS 108 -19.292  30.758  -5.889
  858   1HB   LYS 108          1HB       LYS 108 -17.030  29.266  -4.634
  859   2HB   LYS 108          2HB       LYS 108 -16.616  30.553  -5.767
  860   1HG   LYS 108          1HG       LYS 108 -17.923  32.163  -4.493
  861   2HG   LYS 108          2HG       LYS 108 -18.493  30.891  -3.411
  862   1HD   LYS 108          1HD       LYS 108 -16.507  30.777  -2.273
  863   2HD   LYS 108          2HD       LYS 108 -15.546  31.147  -3.705
  864   1HE   LYS 108          1HE       LYS 108 -16.156  33.512  -3.560
  865   2HE   LYS 108          2HE       LYS 108 -17.228  33.173  -2.187
  866   1HZ   LYS 108          1HZ       LYS 108 -15.263  32.166  -1.065
  867   2HZ   LYS 108          3HZ       LYS 108 -14.289  32.777  -2.312
  868   3HZ   LYS 108          2HZ       LYS 108 -15.139  33.845  -1.300
  869    H    ALA 109           H        ALA 109 -19.953  30.348  -8.087
  870    HA   ALA 109           HA       ALA 109 -17.938  28.886  -9.769
  871   1HB   ALA 109          3HB       ALA 109 -20.453  28.098  -9.278
  872   2HB   ALA 109          2HB       ALA 109 -20.791  29.222 -10.594
  873   3HB   ALA 109          1HB       ALA 109 -19.705  27.858 -10.857
  874    H    VAL 110           H        VAL 110 -16.787  30.481 -10.896
  875    HA   VAL 110           HA       VAL 110 -18.410  32.632 -12.203
  876    HB   VAL 110           HB       VAL 110 -17.212  33.400 -10.139
  877   1HG1  VAL 110          3HG1      VAL 110 -15.138  31.797 -11.004
  878   2HG1  VAL 110          2HG1      VAL 110 -14.569  33.403 -11.441
  879   3HG1  VAL 110          1HG1      VAL 110 -15.001  33.046  -9.770
  880   1HG2  VAL 110          1HG2      VAL 110 -17.558  34.710 -12.440
  881   2HG2  VAL 110          3HG2      VAL 110 -16.696  35.439 -11.084
  882   3HG2  VAL 110          2HG2      VAL 110 -15.795  34.713 -12.416
  883    H    VAL 111           H        VAL 111 -18.111  32.578 -14.425
  884    HA   VAL 111           HA       VAL 111 -15.441  31.716 -15.467
  885    HB   VAL 111           HB       VAL 111 -18.181  30.744 -16.354
  886   1HG1  VAL 111          3HG1      VAL 111 -15.384  30.286 -17.399
  887   2HG1  VAL 111          2HG1      VAL 111 -16.681  29.129 -17.698
  888   3HG1  VAL 111          1HG1      VAL 111 -16.819  30.783 -18.296
  889   1HG2  VAL 111          3HG2      VAL 111 -15.934  29.486 -14.768
  890   2HG2  VAL 111          2HG2      VAL 111 -17.637  29.618 -14.328
  891   3HG2  VAL 111          1HG2      VAL 111 -17.140  28.510 -15.607
  892    H    GLN 112           H        GLN 112 -14.734  33.111 -17.111
  893    HA   GLN 112           HA       GLN 112 -16.785  34.950 -18.308
  894   1HB   GLN 112          1HB       GLN 112 -15.105  35.934 -16.726
  895   2HB   GLN 112          2HB       GLN 112 -13.822  35.385 -17.805
  896   1HG   GLN 112          1HG       GLN 112 -14.293  36.970 -19.400
  897   2HG   GLN 112          2HG       GLN 112 -16.019  36.972 -19.037
  898   1HE2  GLN 112          1HE2      GLN 112 -13.072  37.656 -17.012
  899   2HE2  GLN 112          2HE2      GLN 112 -13.653  39.146 -16.445
  900    H    ALA 113           H        ALA 113 -17.034  34.675 -20.532
  901    HA   ALA 113           HA       ALA 113 -14.779  33.371 -22.026
  902   1HB   ALA 113          3HB       ALA 113 -16.986  32.137 -21.665
  903   2HB   ALA 113          2HB       ALA 113 -17.735  33.360 -22.692
  904   3HB   ALA 113          1HB       ALA 113 -16.482  32.305 -23.347
  905    H    LYS 114           H        LYS 114 -13.740  35.003 -23.211
  906    HA   LYS 114           HA       LYS 114 -15.484  37.065 -24.524
  907   1HB   LYS 114          1HB       LYS 114 -13.558  37.447 -22.665
  908   2HB   LYS 114          2HB       LYS 114 -12.563  37.488 -24.121
  909   1HG   LYS 114          1HG       LYS 114 -13.556  39.410 -24.916
  910   2HG   LYS 114          2HG       LYS 114 -15.105  39.050 -24.153
  911   1HD   LYS 114          1HD       LYS 114 -14.394  39.828 -22.052
  912   2HD   LYS 114          2HD       LYS 114 -12.688  39.686 -22.473
  913   1HE   LYS 114          1HE       LYS 114 -13.082  41.510 -24.214
  914   2HE   LYS 114          2HE       LYS 114 -14.665  41.767 -23.450
  915   1HZ   LYS 114          1HZ       LYS 114 -13.494  41.948 -21.299
  916   2HZ   LYS 114          3HZ       LYS 114 -12.010  41.876 -22.117
  917   3HZ   LYS 114          2HZ       LYS 114 -13.064  43.182 -22.385
  918    H    LEU 115           H        LEU 115 -15.768  36.013 -26.585
  919    HA   LEU 115           HA       LEU 115 -13.227  35.403 -28.069
  920   1HB   LEU 115          1HB       LEU 115 -14.765  33.492 -27.449
  921   2HB   LEU 115          2HB       LEU 115 -16.001  34.238 -28.463
  922    HG   LEU 115           HG       LEU 115 -14.152  34.229 -30.304
  923   1HD1  LEU 115          3HD1      LEU 115 -13.090  32.291 -28.243
  924   2HD1  LEU 115          2HD1      LEU 115 -12.679  32.147 -29.952
  925   3HD1  LEU 115          1HD1      LEU 115 -12.231  33.599 -29.058
  926   1HD2  LEU 115          2HD2      LEU 115 -16.285  32.702 -29.916
  927   2HD2  LEU 115          1HD2      LEU 115 -15.100  32.282 -31.154
  928   3HD2  LEU 115          3HD2      LEU 115 -15.071  31.465 -29.591
  929    H    THR 116           H        THR 116 -12.955  36.509 -30.041
  930    HA   THR 116           HA       THR 116 -15.317  38.052 -31.073
  931    HB   THR 116           HB       THR 116 -12.409  38.908 -31.121
  932    HG1  THR 116           HG1      THR 116 -12.854  38.911 -29.006
  933   1HG2  THR 116          2HG2      THR 116 -14.421  39.863 -32.599
  934   2HG2  THR 116          1HG2      THR 116 -14.735  40.776 -31.124
  935   3HG2  THR 116          3HG2      THR 116 -13.177  40.921 -31.935
  936    H    THR 117           H        THR 117 -15.834  37.232 -33.104
  937    HA   THR 117           HA       THR 117 -15.578  36.181 -35.198
  938    HB   THR 117           HB       THR 117 -13.832  37.290 -36.549
  939    HG1  THR 117           HG1      THR 117 -12.320  38.561 -35.568
  940   1HG2  THR 117          2HG2      THR 117 -15.344  39.010 -34.577
  941   2HG2  THR 117          1HG2      THR 117 -14.467  39.680 -35.952
  942   3HG2  THR 117          3HG2      THR 117 -15.818  38.579 -36.220

  No H/Q in entry =         942
  Start of MODEL    4
    1    H1   MET   1           H        MET   1 -11.853 -20.688  -2.393
    2    H2   MET   1           HN2      MET   1 -10.267 -20.430  -2.943
    3    HA   MET   1           HA       MET   1 -12.484 -18.474  -3.280
    4   1HB   MET   1          1HB       MET   1 -10.518 -19.098  -1.120
    5   2HB   MET   1          2HB       MET   1 -10.839 -17.396  -1.452
    6   1HG   MET   1          1HG       MET   1 -13.249 -17.773  -1.158
    7   2HG   MET   1          2HG       MET   1 -12.956 -19.488  -0.869
    8   1HE   MET   1          1HE       MET   1 -11.508 -20.398   0.623
    9   2HE   MET   1          3HE       MET   1 -10.226 -19.391   1.310
   10   3HE   MET   1          2HE       MET   1 -11.525 -19.992   2.337
   11    H    ALA   2           H        ALA   2 -11.677 -18.054  -5.498
   12    HA   ALA   2           HA       ALA   2  -9.054 -16.603  -5.496
   13   1HB   ALA   2          3HB       ALA   2 -10.092 -18.456  -7.661
   14   2HB   ALA   2          1HB       ALA   2  -8.959 -18.963  -6.408
   15   3HB   ALA   2          2HB       ALA   2  -8.490 -17.722  -7.570
   16    H    GLU   3           H        GLU   3 -10.573 -14.658  -5.349
   17    HA   GLU   3           HA       GLU   3 -11.587 -13.951  -8.074
   18   1HB   GLU   3          1HB       GLU   3 -13.257 -14.798  -6.179
   19   2HB   GLU   3          2HB       GLU   3 -13.097 -13.133  -5.618
   20   1HG   GLU   3          1HG       GLU   3 -13.788 -12.290  -7.804
   21   2HG   GLU   3          2HG       GLU   3 -13.858 -13.933  -8.442
   22    H    GLN   4           H        GLN   4  -9.273 -12.841  -7.748
   23    HA   GLN   4           HA       GLN   4  -8.070 -10.841  -7.458
   24   1HB   GLN   4          1HB       GLN   4 -10.430 -10.212  -8.516
   25   2HB   GLN   4          2HB       GLN   4 -10.658  -9.414  -6.960
   26   1HG   GLN   4          1HG       GLN   4  -9.057  -7.831  -7.380
   27   2HG   GLN   4          2HG       GLN   4  -8.045  -8.949  -8.297
   28   1HE2  GLN   4          1HE2      GLN   4 -10.638  -6.564  -8.574
   29   2HE2  GLN   4          2HE2      GLN   4 -10.761  -6.635 -10.265
   30    H    ARG   5           H        ARG   5  -6.929 -10.878  -5.499
   31    HA   ARG   5           HA       ARG   5  -8.435 -10.004  -3.052
   32   1HB   ARG   5          1HB       ARG   5  -7.501 -12.504  -3.506
   33   2HB   ARG   5          2HB       ARG   5  -6.053 -11.774  -2.812
   34   1HG   ARG   5          1HG       ARG   5  -7.021 -11.479  -0.750
   35   2HG   ARG   5          2HG       ARG   5  -8.631 -11.226  -1.425
   36   1HD   ARG   5          1HD       ARG   5  -8.984 -13.568  -1.733
   37   2HD   ARG   5          2HD       ARG   5  -7.265 -13.933  -1.483
   38    HE   ARG   5           HE       ARG   5  -7.571 -13.618   0.863
   39   1HH1  ARG   5          1HH1      ARG   5 -10.478 -14.245  -0.504
   40   2HH1  ARG   5          2HH1      ARG   5 -11.449 -13.386   0.646
   41   1HH2  ARG   5          1HH2      ARG   5  -8.747 -11.821   2.156
   42   2HH2  ARG   5          2HH2      ARG   5 -10.469 -12.014   2.151
   43    H    PHE   6           H        PHE   6  -7.411  -8.328  -1.886
   44    HA   PHE   6           HA       PHE   6  -4.707  -7.476  -2.878
   45   1HB   PHE   6          1HB       PHE   6  -7.269  -6.136  -2.336
   46   2HB   PHE   6          2HB       PHE   6  -5.896  -5.320  -1.591
   47    HD1  PHE   6           HD1      PHE   6  -4.046  -4.440  -2.972
   48    HD2  PHE   6           HD2      PHE   6  -7.500  -6.274  -4.747
   49    HE1  PHE   6           HE1      PHE   6  -3.428  -3.473  -5.168
   50    HE2  PHE   6           HE2      PHE   6  -6.881  -5.309  -6.946
   51    HZ   PHE   6           HZ       PHE   6  -4.846  -3.906  -7.157
   52    H    CYS   7           H        CYS   7  -3.069  -7.238  -1.308
   53    HA   CYS   7           HA       CYS   7  -3.882  -7.602   1.565
   54   1HB   CYS   7          1HB       CYS   7  -2.562  -9.407   0.101
   55   2HB   CYS   7          2HB       CYS   7  -1.187  -8.379   0.506
   56    HG   CYS   7           HG       CYS   7  -2.654 -10.218   2.447
   57    H    VAL   8           H        VAL   8  -2.226  -6.536   3.107
   58    HA   VAL   8           HA       VAL   8  -0.785  -4.271   1.781
   59    HB   VAL   8           HB       VAL   8  -1.679  -2.779   3.542
   60   1HG1  VAL   8          1HG1      VAL   8  -2.957  -3.615   1.308
   61   2HG1  VAL   8          3HG1      VAL   8  -4.153  -4.064   2.522
   62   3HG1  VAL   8          2HG1      VAL   8  -3.615  -2.389   2.391
   63   1HG2  VAL   8          1HG2      VAL   8  -1.999  -4.513   5.294
   64   2HG2  VAL   8          3HG2      VAL   8  -3.465  -3.570   5.032
   65   3HG2  VAL   8          2HG2      VAL   8  -3.331  -5.193   4.359
   66    H    ASP   9           H        ASP   9   1.290  -3.946   2.597
   67    HA   ASP   9           HA       ASP   9   1.956  -5.101   5.276
   68   1HB   ASP   9          1HB       ASP   9   2.434  -6.521   3.087
   69   2HB   ASP   9          2HB       ASP   9   3.809  -5.427   2.934
   70    H    TYR  10           H        TYR  10   3.666  -3.933   6.350
   71    HA   TYR  10           HA       TYR  10   4.334  -1.309   5.067
   72   1HB   TYR  10          1HB       TYR  10   3.890  -2.345   7.808
   73   2HB   TYR  10          2HB       TYR  10   5.199  -1.171   7.666
   74    HD1  TYR  10           HD1      TYR  10   1.880  -1.361   8.471
   75    HD2  TYR  10           HD2      TYR  10   4.464   0.758   5.769
   76    HE1  TYR  10           HE1      TYR  10   0.223   0.479   8.327
   77    HE2  TYR  10           HE2      TYR  10   2.807   2.596   5.625
   78    HH   TYR  10           HH       TYR  10   0.875   3.472   7.256
   79    H    ALA  11           H        ALA  11   6.551  -0.620   4.889
   80    HA   ALA  11           HA       ALA  11   8.526  -2.870   5.108
   81   1HB   ALA  11          2HB       ALA  11   7.810  -1.122   3.039
   82   2HB   ALA  11          3HB       ALA  11   9.227  -2.170   3.070
   83   3HB   ALA  11          1HB       ALA  11   9.354  -0.498   3.617
   84    H    LYS  12           H        LYS  12  10.507  -2.527   6.247
   85    HA   LYS  12           HA       LYS  12  10.636   0.015   7.841
   86   1HB   LYS  12          1HB       LYS  12  11.072  -2.880   8.392
   87   2HB   LYS  12          2HB       LYS  12  12.154  -1.754   9.212
   88   1HG   LYS  12          1HG       LYS  12  10.054  -0.460   9.896
   89   2HG   LYS  12          2HG       LYS  12   9.135  -1.866   9.354
   90   1HD   LYS  12          1HD       LYS  12  10.903  -3.158  10.874
   91   2HD   LYS  12          2HD       LYS  12  10.984  -1.595  11.688
   92   1HE   LYS  12          1HE       LYS  12   9.185  -2.443  12.854
   93   2HE   LYS  12          2HE       LYS  12   8.279  -1.877  11.436
   94   1HZ   LYS  12          2HZ       LYS  12   9.566  -4.548  11.603
   95   2HZ   LYS  12          1HZ       LYS  12   7.933  -4.277  11.989
   96   3HZ   LYS  12          3HZ       LYS  12   8.489  -3.994  10.411
   97    H    ARG  13           H        ARG  13  12.829  -2.580   6.564
   98    HA   ARG  13           HA       ARG  13  14.695  -0.431   5.655
   99   1HB   ARG  13          1HB       ARG  13  15.041  -2.483   7.773
  100   2HB   ARG  13          2HB       ARG  13  16.405  -2.294   6.670
  101   1HG   ARG  13          1HG       ARG  13  15.986   0.285   7.109
  102   2HG   ARG  13          2HG       ARG  13  15.229  -0.312   8.585
  103   1HD   ARG  13          1HD       ARG  13  17.283  -1.492   9.210
  104   2HD   ARG  13          2HD       ARG  13  18.051  -1.001   7.688
  105    HE   ARG  13           HE       ARG  13  17.739   1.381   8.460
  106   1HH1  ARG  13          1HH1      ARG  13  16.715   2.301  10.537
  107   2HH1  ARG  13          2HH1      ARG  13  17.481   1.730  11.981
  108   1HH2  ARG  13          1HH2      ARG  13  19.111  -0.888  10.396
  109   2HH2  ARG  13          2HH2      ARG  13  18.838  -0.077  11.902
  110    H    GLY  14           H        GLY  14  13.553  -1.323   3.563
  111   1HA   GLY  14          2HA       GLY  14  13.484  -3.665   2.348
  112   2HA   GLY  14          1HA       GLY  14  15.237  -3.543   2.513
  113    H    THR  15           H        THR  15  14.462  -3.711  -0.065
  114    HA   THR  15           HA       THR  15  14.162  -0.925  -1.106
  115    HB   THR  15           HB       THR  15  16.277  -2.931  -1.947
  116    HG1  THR  15           HG1      THR  15  16.912  -2.208  -0.001
  117   1HG2  THR  15          1HG2      THR  15  15.327  -1.091  -3.550
  118   2HG2  THR  15          3HG2      THR  15  16.266   0.013  -2.546
  119   3HG2  THR  15          2HG2      THR  15  17.074  -1.293  -3.412
  120    H    ALA  16           H        ALA  16  12.366  -1.060  -2.477
  121    HA   ALA  16           HA       ALA  16  12.287  -3.324  -4.412
  122   1HB   ALA  16          3HB       ALA  16   9.916  -2.426  -2.756
  123   2HB   ALA  16          2HB       ALA  16  10.011  -3.841  -3.805
  124   3HB   ALA  16          1HB       ALA  16  10.942  -3.789  -2.307
  125    H    GLY  17           H        GLY  17  11.715  -2.616  -6.465
  126   1HA   GLY  17          2HA       GLY  17  11.271  -1.009  -8.126
  127   2HA   GLY  17          1HA       GLY  17  11.190   0.221  -6.862
  128    H    CYS  18           H        CYS  18   9.177   1.151  -6.800
  129    HA   CYS  18           HA       CYS  18   6.758  -0.349  -6.345
  130   1HB   CYS  18          1HB       CYS  18   6.983   1.969  -5.691
  131   2HB   CYS  18          2HB       CYS  18   7.349   2.460  -7.338
  132    H    LYS  19           H        LYS  19   5.480  -1.488  -7.811
  133    HA   LYS  19           HA       LYS  19   6.196  -1.772 -10.588
  134   1HB   LYS  19          1HB       LYS  19   3.736  -2.395  -8.942
  135   2HB   LYS  19          2HB       LYS  19   3.750  -2.699 -10.680
  136   1HG   LYS  19          1HG       LYS  19   6.067  -3.684  -9.066
  137   2HG   LYS  19          2HG       LYS  19   4.543  -4.566  -8.954
  138   1HD   LYS  19          1HD       LYS  19   4.593  -5.214 -11.177
  139   2HD   LYS  19          2HD       LYS  19   5.547  -3.814 -11.671
  140   1HE   LYS  19          1HE       LYS  19   7.472  -4.842 -10.299
  141   2HE   LYS  19          2HE       LYS  19   6.506  -6.330 -10.291
  142   1HZ   LYS  19          1HZ       LYS  19   6.313  -6.147 -12.712
  143   2HZ   LYS  19          3HZ       LYS  19   7.319  -4.782 -12.695
  144   3HZ   LYS  19          2HZ       LYS  19   7.934  -6.295 -12.227
  145    H    LYS  20           H        LYS  20   5.245  -0.787 -12.506
  146    HA   LYS  20           HA       LYS  20   4.320   1.025 -13.722
  147   1HB   LYS  20          1HB       LYS  20   2.295  -0.128 -12.742
  148   2HB   LYS  20          2HB       LYS  20   2.365   1.003 -11.389
  149   1HG   LYS  20          1HG       LYS  20   0.953   2.228 -12.711
  150   2HG   LYS  20          2HG       LYS  20   2.461   2.752 -13.458
  151   1HD   LYS  20          1HD       LYS  20   0.980   0.297 -14.408
  152   2HD   LYS  20          2HD       LYS  20   0.631   1.902 -15.047
  153   1HE   LYS  20          1HE       LYS  20   3.216   2.051 -15.436
  154   2HE   LYS  20          2HE       LYS  20   3.159   0.282 -15.308
  155   1HZ   LYS  20          3HZ       LYS  20   1.368   0.268 -16.946
  156   2HZ   LYS  20          2HZ       LYS  20   1.479   1.956 -17.102
  157   3HZ   LYS  20          1HZ       LYS  20   2.772   0.967 -17.589
  158    H    CYS  21           H        CYS  21   6.498   1.721 -12.002
  159    HA   CYS  21           HA       CYS  21   5.969   4.582 -11.551
  160   1HB   CYS  21          1HB       CYS  21   4.922   3.599  -9.605
  161   2HB   CYS  21          2HB       CYS  21   6.305   2.556  -9.321
  162    H    LYS  22           H        LYS  22   7.979   5.765 -11.281
  163    HA   LYS  22           HA       LYS  22  10.446   4.134 -11.778
  164   1HB   LYS  22          1HB       LYS  22   9.692   6.050 -13.298
  165   2HB   LYS  22          2HB       LYS  22  10.048   7.140 -11.958
  166   1HG   LYS  22          1HG       LYS  22  12.368   6.532 -11.964
  167   2HG   LYS  22          2HG       LYS  22  12.076   5.185 -13.064
  168   1HD   LYS  22          1HD       LYS  22  11.350   6.812 -14.809
  169   2HD   LYS  22          2HD       LYS  22  11.763   8.131 -13.712
  170   1HE   LYS  22          1HE       LYS  22  14.087   6.738 -13.619
  171   2HE   LYS  22          2HE       LYS  22  13.560   6.345 -15.268
  172   1HZ   LYS  22          3HZ       LYS  22  13.514   9.097 -14.160
  173   2HZ   LYS  22          2HZ       LYS  22  14.823   8.484 -15.053
  174   3HZ   LYS  22          1HZ       LYS  22  13.291   8.630 -15.775
  175    H    GLU  23           H        GLU  23   9.584   3.900  -9.158
  176    HA   GLU  23           HA       GLU  23  11.597   5.524  -7.677
  177   1HB   GLU  23          1HB       GLU  23   9.015   6.283  -7.786
  178   2HB   GLU  23          2HB       GLU  23   8.905   5.130  -6.460
  179   1HG   GLU  23          1HG       GLU  23  10.164   6.421  -5.047
  180   2HG   GLU  23          2HG       GLU  23  11.187   7.027  -6.350
  181    H    LYS  24           H        LYS  24  11.339   4.598  -5.160
  182    HA   LYS  24           HA       LYS  24  11.175   1.598  -5.308
  183   1HB   LYS  24          1HB       LYS  24  13.324   3.360  -4.074
  184   2HB   LYS  24          2HB       LYS  24  13.264   1.601  -3.950
  185   1HG   LYS  24          1HG       LYS  24  13.257   1.535  -6.491
  186   2HG   LYS  24          2HG       LYS  24  13.628   3.259  -6.455
  187   1HD   LYS  24          1HD       LYS  24  15.539   2.511  -4.798
  188   2HD   LYS  24          2HD       LYS  24  15.318   0.942  -5.573
  189   1HE   LYS  24          1HE       LYS  24  15.769   1.896  -7.767
  190   2HE   LYS  24          2HE       LYS  24  15.828   3.532  -7.082
  191   1HZ   LYS  24          1HZ       LYS  24  17.630   2.804  -5.626
  192   2HZ   LYS  24          3HZ       LYS  24  17.603   1.265  -6.338
  193   3HZ   LYS  24          2HZ       LYS  24  18.055   2.618  -7.260
  194    H    ILE  25           H        ILE  25  10.851   0.624  -3.133
  195    HA   ILE  25           HA       ILE  25   9.418   2.514  -1.290
  196    HB   ILE  25           HB       ILE  25   9.159  -0.484  -1.736
  197   1HG1  ILE  25          1HG1      ILE  25   7.105   1.620  -2.417
  198   2HG1  ILE  25          2HG1      ILE  25   8.379   1.207  -3.565
  199   1HG2  ILE  25          1HG2      ILE  25   8.074   1.387   0.267
  200   2HG2  ILE  25          3HG2      ILE  25   6.867   0.353  -0.493
  201   3HG2  ILE  25          2HG2      ILE  25   8.244  -0.363   0.344
  202   1HD1  ILE  25          3HD1      ILE  25   6.905  -1.061  -2.319
  203   2HD1  ILE  25          2HD1      ILE  25   6.029  -0.096  -3.509
  204   3HD1  ILE  25          1HD1      ILE  25   7.537  -0.895  -3.957
  205    H    VAL  26           H        VAL  26  10.829   3.046   0.425
  206    HA   VAL  26           HA       VAL  26  12.203   0.761   1.789
  207    HB   VAL  26           HB       VAL  26  13.447   3.407   0.966
  208   1HG1  VAL  26          3HG1      VAL  26  14.504   1.009   2.479
  209   2HG1  VAL  26          2HG1      VAL  26  15.564   2.191   1.713
  210   3HG1  VAL  26          1HG1      VAL  26  14.473   2.692   3.005
  211   1HG2  VAL  26          1HG2      VAL  26  13.407   0.673  -0.226
  212   2HG2  VAL  26          3HG2      VAL  26  13.500   2.241  -1.025
  213   3HG2  VAL  26          2HG2      VAL  26  14.936   1.548  -0.271
  214    H    LYS  27           H        LYS  27  11.023   0.877   3.756
  215    HA   LYS  27           HA       LYS  27  10.395   1.708   5.862
  216   1HB   LYS  27          1HB       LYS  27  12.925   2.289   5.582
  217   2HB   LYS  27          2HB       LYS  27  12.354   3.948   5.399
  218   1HG   LYS  27          1HG       LYS  27  11.222   3.836   7.562
  219   2HG   LYS  27          2HG       LYS  27  11.688   2.144   7.744
  220   1HD   LYS  27          1HD       LYS  27  14.008   2.702   7.905
  221   2HD   LYS  27          2HD       LYS  27  13.714   4.361   7.381
  222   1HE   LYS  27          1HE       LYS  27  13.964   4.495   9.759
  223   2HE   LYS  27          2HE       LYS  27  12.211   4.556   9.486
  224   1HZ   LYS  27          1HZ       LYS  27  12.118   2.156   9.764
  225   2HZ   LYS  27          3HZ       LYS  27  13.789   2.101  10.049
  226   3HZ   LYS  27          2HZ       LYS  27  12.766   2.889  11.154
  227    H    GLY  28           H        GLY  28   8.815   3.121   6.714
  228   1HA   GLY  28          2HA       GLY  28   8.392   5.791   5.735
  229   2HA   GLY  28          1HA       GLY  28   7.292   4.894   6.773
  230    H    VAL  29           H        VAL  29   7.426   2.750   4.327
  231    HA   VAL  29           HA       VAL  29   5.309   4.172   2.762
  232    HB   VAL  29           HB       VAL  29   7.578   2.369   1.871
  233   1HG1  VAL  29          3HG1      VAL  29   5.300   3.583   0.275
  234   2HG1  VAL  29          2HG1      VAL  29   6.714   2.808  -0.435
  235   3HG1  VAL  29          1HG1      VAL  29   5.589   1.864   0.541
  236   1HG2  VAL  29          1HG2      VAL  29   7.018   5.301   1.786
  237   2HG2  VAL  29          3HG2      VAL  29   8.551   4.457   2.009
  238   3HG2  VAL  29          2HG2      VAL  29   7.842   4.587   0.399
  239    H    CYS  30           H        CYS  30   3.414   2.954   2.457
  240    HA   CYS  30           HA       CYS  30   3.355   0.224   3.671
  241   1HB   CYS  30          1HB       CYS  30   1.669   2.258   3.992
  242   2HB   CYS  30          2HB       CYS  30   0.975   1.640   2.494
  243    HG   CYS  30           HG       CYS  30   0.436  -0.594   3.668
  244    H    ARG  31           H        ARG  31   3.276  -1.613   2.339
  245    HA   ARG  31           HA       ARG  31   3.059  -1.114  -0.610
  246   1HB   ARG  31          1HB       ARG  31   4.202  -3.423   0.999
  247   2HB   ARG  31          2HB       ARG  31   4.258  -3.287  -0.759
  248   1HG   ARG  31          1HG       ARG  31   5.898  -1.694  -0.720
  249   2HG   ARG  31          2HG       ARG  31   5.284  -0.948   0.756
  250   1HD   ARG  31          1HD       ARG  31   7.414  -1.992   1.291
  251   2HD   ARG  31          2HD       ARG  31   6.140  -2.994   2.015
  252    HE   ARG  31           HE       ARG  31   6.304  -4.408  -0.106
  253   1HH1  ARG  31          1HH1      ARG  31   8.539  -2.080  -0.634
  254   2HH1  ARG  31          2HH1      ARG  31   9.921  -3.120  -0.720
  255   1HH2  ARG  31          1HH2      ARG  31   8.233  -5.903   0.473
  256   2HH2  ARG  31          2HH2      ARG  31   9.748  -5.284  -0.096
  257    H    ILE  32           H        ILE  32   1.247  -1.892  -1.690
  258    HA   ILE  32           HA       ILE  32  -0.559  -3.750  -0.186
  259    HB   ILE  32           HB       ILE  32  -1.229  -2.232  -2.726
  260   1HG1  ILE  32          1HG1      ILE  32  -1.590  -1.175   0.107
  261   2HG1  ILE  32          2HG1      ILE  32  -0.343  -0.604  -1.000
  262   1HG2  ILE  32          1HG2      ILE  32  -2.628  -4.107  -1.455
  263   2HG2  ILE  32          3HG2      ILE  32  -3.108  -2.731  -0.463
  264   3HG2  ILE  32          2HG2      ILE  32  -3.416  -2.715  -2.198
  265   1HD1  ILE  32          3HD1      ILE  32  -3.216  -0.623  -1.882
  266   2HD1  ILE  32          2HD1      ILE  32  -2.622   0.688  -0.864
  267   3HD1  ILE  32          1HD1      ILE  32  -1.888   0.395  -2.441
  268    H    GLY  33           H        GLY  33  -0.626  -5.888  -0.914
  269   1HA   GLY  33          2HA       GLY  33   0.435  -7.637  -2.223
  270   2HA   GLY  33          1HA       GLY  33   0.692  -6.467  -3.516
  271    H    LYS  34           H        LYS  34  -0.557  -7.052  -5.263
  272    HA   LYS  34           HA       LYS  34  -3.444  -7.674  -4.758
  273   1HB   LYS  34          1HB       LYS  34  -2.870  -5.761  -6.225
  274   2HB   LYS  34          2HB       LYS  34  -1.937  -6.840  -7.263
  275   1HG   LYS  34          1HG       LYS  34  -3.953  -8.124  -7.792
  276   2HG   LYS  34          2HG       LYS  34  -4.903  -7.121  -6.697
  277   1HD   LYS  34          1HD       LYS  34  -5.351  -5.941  -8.604
  278   2HD   LYS  34          2HD       LYS  34  -3.791  -5.195  -8.255
  279   1HE   LYS  34          1HE       LYS  34  -3.645  -7.751  -9.756
  280   2HE   LYS  34          2HE       LYS  34  -4.355  -6.383 -10.637
  281   1HZ   LYS  34          1HZ       LYS  34  -2.463  -5.022  -9.825
  282   2HZ   LYS  34          3HZ       LYS  34  -1.750  -6.432  -9.212
  283   3HZ   LYS  34          2HZ       LYS  34  -1.996  -6.265 -10.884
  284    H    VAL  35           H        VAL  35  -3.663  -9.938  -4.550
  285    HA   VAL  35           HA       VAL  35  -2.005 -11.661  -6.350
  286    HB   VAL  35           HB       VAL  35  -3.714 -12.310  -3.922
  287   1HG1  VAL  35          1HG1      VAL  35  -3.332 -14.178  -5.588
  288   2HG1  VAL  35          3HG1      VAL  35  -1.603 -14.001  -5.288
  289   3HG1  VAL  35          2HG1      VAL  35  -2.680 -14.489  -3.980
  290   1HG2  VAL  35          3HG2      VAL  35  -0.726 -11.907  -4.267
  291   2HG2  VAL  35          2HG2      VAL  35  -1.819 -10.926  -3.290
  292   3HG2  VAL  35          1HG2      VAL  35  -1.469 -12.589  -2.820
  293    H    VAL  36           H        VAL  36  -3.077 -11.971  -8.319
  294    HA   VAL  36           HA       VAL  36  -5.960 -12.785  -8.154
  295    HB   VAL  36           HB       VAL  36  -6.208 -11.695 -10.371
  296   1HG1  VAL  36          3HG1      VAL  36  -6.164 -10.495  -7.944
  297   2HG1  VAL  36          2HG1      VAL  36  -4.923  -9.554  -8.769
  298   3HG1  VAL  36          1HG1      VAL  36  -6.552  -9.639  -9.436
  299   1HG2  VAL  36          1HG2      VAL  36  -3.414 -11.876 -10.458
  300   2HG2  VAL  36          3HG2      VAL  36  -4.440 -11.031 -11.614
  301   3HG2  VAL  36          2HG2      VAL  36  -3.727 -10.154 -10.261
  302    HA   PRO  37           HA       PRO  37  -4.467 -16.451 -10.119
  303   1HB   PRO  37          1HB       PRO  37  -6.814 -17.453 -11.106
  304   2HB   PRO  37          2HB       PRO  37  -6.398 -17.496  -9.381
  305   1HG   PRO  37          1HG       PRO  37  -8.229 -15.674 -10.842
  306   2HG   PRO  37          2HG       PRO  37  -8.360 -16.336  -9.207
  307   1HD   PRO  37          1HD       PRO  37  -7.539 -13.775  -9.797
  308   2HD   PRO  37          2HD       PRO  37  -7.152 -14.639  -8.294
  309    H    ASN  38           H        ASN  38  -3.586 -16.844 -12.184
  310    HA   ASN  38           HA       ASN  38  -4.603 -15.137 -14.425
  311   1HB   ASN  38          1HB       ASN  38  -2.147 -15.237 -13.504
  312   2HB   ASN  38          2HB       ASN  38  -2.048 -16.740 -14.423
  313   1HD2  ASN  38          2HD2      ASN  38  -1.311 -16.434 -16.558
  314   2HD2  ASN  38          1HD2      ASN  38  -1.531 -15.008 -17.454
  315    HA   PRO  39           HA       PRO  39  -6.218 -18.822 -16.299
  316   1HB   PRO  39          1HB       PRO  39  -6.425 -17.965 -18.890
  317   2HB   PRO  39          2HB       PRO  39  -7.549 -17.457 -17.613
  318   1HG   PRO  39          1HG       PRO  39  -5.237 -16.002 -18.789
  319   2HG   PRO  39          2HG       PRO  39  -6.816 -15.388 -18.275
  320   1HD   PRO  39          1HD       PRO  39  -4.536 -15.122 -16.798
  321   2HD   PRO  39          2HD       PRO  39  -6.168 -15.170 -16.095
  322    H    PHE  40           H        PHE  40  -3.829 -19.661 -15.828
  323    HA   PHE  40           HA       PHE  40  -2.680 -20.511 -18.441
  324   1HB   PHE  40          1HB       PHE  40  -1.564 -18.406 -17.738
  325   2HB   PHE  40          2HB       PHE  40  -1.127 -19.161 -16.206
  326    HD1  PHE  40           HD1      PHE  40  -0.236 -18.725 -19.672
  327    HD2  PHE  40           HD2      PHE  40   0.311 -21.271 -16.257
  328    HE1  PHE  40           HE1      PHE  40   1.786 -19.703 -20.726
  329    HE2  PHE  40           HE2      PHE  40   2.330 -22.249 -17.310
  330    HZ   PHE  40           HZ       PHE  40   3.069 -21.466 -19.544
  331    H    SER  41           H        SER  41  -1.933 -20.680 -14.892
  332    HA   SER  41           HA       SER  41  -1.584 -23.642 -15.241
  333   1HB   SER  41          1HB       SER  41   0.154 -21.712 -14.317
  334   2HB   SER  41          2HB       SER  41  -0.536 -22.325 -12.818
  335    HG   SER  41           HG       SER  41   1.213 -23.601 -13.373
  336    H    GLU  42           H        GLU  42  -2.440 -25.021 -13.485
  337    HA   GLU  42           HA       GLU  42  -4.843 -23.806 -12.188
  338   1HB   GLU  42          1HB       GLU  42  -3.940 -26.529 -13.033
  339   2HB   GLU  42          2HB       GLU  42  -5.083 -26.429 -11.693
  340   1HG   GLU  42          1HG       GLU  42  -6.776 -25.609 -13.013
  341   2HG   GLU  42          2HG       GLU  42  -5.666 -24.749 -14.081
  342    H    SER  43           H        SER  43  -1.820 -25.551 -11.321
  343    HA   SER  43           HA       SER  43  -2.524 -25.467  -8.441
  344   1HB   SER  43          1HB       SER  43  -0.012 -26.351  -9.905
  345   2HB   SER  43          2HB       SER  43  -0.340 -26.623  -8.197
  346    HG   SER  43           HG       SER  43  -0.889 -28.354  -9.787
  347    H    GLY  44           H        GLY  44  -0.193 -23.875 -10.672
  348   1HA   GLY  44          2HA       GLY  44   1.583 -22.427  -9.516
  349   2HA   GLY  44          1HA       GLY  44   0.245 -21.828  -8.534
  350    H    GLY  45           H        GLY  45  -1.478 -20.579  -9.671
  351   1HA   GLY  45          2HA       GLY  45  -2.036 -19.811 -12.104
  352   2HA   GLY  45          1HA       GLY  45  -0.376 -19.214 -12.083
  353    H    ASP  46           H        ASP  46   0.008 -17.895  -9.807
  354    HA   ASP  46           HA       ASP  46  -2.224 -15.892  -9.708
  355   1HB   ASP  46          1HB       ASP  46  -1.845 -15.812  -7.243
  356   2HB   ASP  46          2HB       ASP  46  -2.349 -17.414  -7.778
  357    H    MET  47           H        MET  47  -1.477 -13.705  -9.606
  358    HA   MET  47           HA       MET  47   1.508 -13.356  -9.629
  359   1HB   MET  47          1HB       MET  47  -0.782 -12.219 -11.190
  360   2HB   MET  47          2HB       MET  47   0.641 -11.206 -10.940
  361   1HG   MET  47          1HG       MET  47   2.080 -12.940 -11.899
  362   2HG   MET  47          2HG       MET  47   0.692 -14.012 -12.090
  363   1HE   MET  47          1HE       MET  47   2.970 -11.619 -13.619
  364   2HE   MET  47          3HE       MET  47   2.038 -10.518 -14.642
  365   3HE   MET  47          2HE       MET  47   1.957 -10.378 -12.887
  366    H    LYS  48           H        LYS  48   2.372 -11.847  -8.153
  367    HA   LYS  48           HA       LYS  48   0.427 -10.109  -6.670
  368   1HB   LYS  48          1HB       LYS  48   1.075 -12.143  -5.397
  369   2HB   LYS  48          2HB       LYS  48   2.772 -11.697  -5.576
  370   1HG   LYS  48          1HG       LYS  48   1.763  -9.382  -4.559
  371   2HG   LYS  48          2HG       LYS  48   0.697 -10.559  -3.791
  372   1HD   LYS  48          1HD       LYS  48   3.710 -10.842  -3.788
  373   2HD   LYS  48          2HD       LYS  48   2.832 -10.007  -2.507
  374   1HE   LYS  48          1HE       LYS  48   1.994 -11.959  -1.637
  375   2HE   LYS  48          2HE       LYS  48   1.798 -12.701  -3.237
  376   1HZ   LYS  48          2HZ       LYS  48   4.226 -12.860  -3.392
  377   2HZ   LYS  48          1HZ       LYS  48   4.368 -12.251  -1.813
  378   3HZ   LYS  48          3HZ       LYS  48   3.623 -13.752  -2.078
  379    H    GLU  49           H        GLU  49   1.085  -7.938  -6.690
  380    HA   GLU  49           HA       GLU  49   4.004  -7.380  -7.094
  381   1HB   GLU  49          1HB       GLU  49   1.592  -6.621  -8.659
  382   2HB   GLU  49          2HB       GLU  49   2.783  -5.343  -8.410
  383   1HG   GLU  49          1HG       GLU  49   4.441  -6.469  -9.586
  384   2HG   GLU  49          2HG       GLU  49   3.731  -8.053  -9.271
  385    H    TRP  50           H        TRP  50   4.688  -5.291  -6.142
  386    HA   TRP  50           HA       TRP  50   2.887  -4.442  -3.910
  387   1HB   TRP  50          1HB       TRP  50   5.832  -4.043  -4.523
  388   2HB   TRP  50          2HB       TRP  50   5.027  -3.327  -3.125
  389    HD1  TRP  50           HD1      TRP  50   7.074  -6.139  -3.851
  390    HE1  TRP  50           HE1      TRP  50   6.651  -8.117  -2.256
  391    HE3  TRP  50           HE3      TRP  50   2.588  -4.718  -1.846
  392    HZ2  TRP  50           HZ2      TRP  50   4.673  -8.985  -0.380
  393    HZ3  TRP  50           HZ3      TRP  50   1.465  -6.137  -0.157
  394    HH2  TRP  50           HH2      TRP  50   2.499  -8.268   0.578
  395    H    TYR  51           H        TYR  51   2.759  -2.027  -3.469
  396    HA   TYR  51           HA       TYR  51   3.208  -0.322  -5.872
  397   1HB   TYR  51          1HB       TYR  51   0.585  -0.856  -4.450
  398   2HB   TYR  51          2HB       TYR  51   0.818   0.473  -5.583
  399    HD1  TYR  51           HD1      TYR  51   1.382  -0.002  -7.980
  400    HD2  TYR  51           HD2      TYR  51   0.331  -3.117  -5.205
  401    HE1  TYR  51           HE1      TYR  51   0.931  -1.542  -9.869
  402    HE2  TYR  51           HE2      TYR  51  -0.115  -4.655  -7.092
  403    HH   TYR  51           HH       TYR  51   0.980  -4.320 -10.029
  404    H    HIS  52           H        HIS  52   2.614   2.061  -5.258
  405    HA   HIS  52           HA       HIS  52   3.734   2.625  -2.541
  406   1HB   HIS  52          1HB       HIS  52   3.584   3.938  -5.179
  407   2HB   HIS  52          2HB       HIS  52   3.334   5.042  -3.832
  408    HD2  HIS  52           HD2      HIS  52   5.565   3.945  -1.719
  409    HE1  HIS  52           HE1      HIS  52   8.346   4.101  -4.908
  410    HE2  HIS  52           HE2      HIS  52   8.061   3.958  -2.413
  411    H    ILE  53           H        ILE  53   2.546   4.986  -1.811
  412    HA   ILE  53           HA       ILE  53  -0.258   4.156  -1.290
  413    HB   ILE  53           HB       ILE  53   1.416   6.522  -0.367
  414   1HG1  ILE  53          1HG1      ILE  53   2.192   4.303   0.428
  415   2HG1  ILE  53          2HG1      ILE  53   1.549   5.272   1.752
  416   1HG2  ILE  53          2HG2      ILE  53  -1.380   6.281  -0.331
  417   2HG2  ILE  53          1HG2      ILE  53  -0.881   5.823   1.295
  418   3HG2  ILE  53          3HG2      ILE  53  -0.406   7.387   0.641
  419   1HD1  ILE  53          1HD1      ILE  53  -0.692   3.921   0.793
  420   2HD1  ILE  53          3HD1      ILE  53   0.594   2.717   0.691
  421   3HD1  ILE  53          2HD1      ILE  53   0.234   3.494   2.233
  422    H    LYS  54           H        LYS  54   1.501   6.796  -2.988
  423    HA   LYS  54           HA       LYS  54  -1.075   7.925  -3.932
  424   1HB   LYS  54          1HB       LYS  54   0.842   9.360  -3.214
  425   2HB   LYS  54          2HB       LYS  54   1.793   8.710  -4.550
  426   1HG   LYS  54          1HG       LYS  54   0.606   9.872  -6.144
  427   2HG   LYS  54          2HG       LYS  54  -0.890   9.829  -5.210
  428   1HD   LYS  54          1HD       LYS  54   0.354  11.403  -3.558
  429   2HD   LYS  54          2HD       LYS  54   1.467  11.679  -4.898
  430   1HE   LYS  54          1HE       LYS  54  -1.543  12.031  -5.114
  431   2HE   LYS  54          2HE       LYS  54  -0.404  13.361  -4.823
  432   1HZ   LYS  54          3HZ       LYS  54   0.820  12.660  -6.815
  433   2HZ   LYS  54          2HZ       LYS  54  -0.356  11.473  -7.119
  434   3HZ   LYS  54          1HZ       LYS  54  -0.770  13.119  -7.184
  435    H    CYS  55           H        CYS  55   1.469   5.783  -5.160
  436    HA   CYS  55           HA       CYS  55   0.768   6.147  -7.976
  437   1HB   CYS  55          1HB       CYS  55   2.182   3.839  -6.595
  438   2HB   CYS  55          2HB       CYS  55   2.223   4.191  -8.320
  439    H    MET  56           H        MET  56  -0.012   3.665  -5.507
  440    HA   MET  56           HA       MET  56  -1.693   2.131  -7.335
  441   1HB   MET  56          1HB       MET  56  -0.564   1.710  -4.841
  442   2HB   MET  56          2HB       MET  56  -2.273   1.897  -4.450
  443   1HG   MET  56          1HG       MET  56  -1.213   0.028  -6.588
  444   2HG   MET  56          2HG       MET  56  -1.623  -0.473  -4.948
  445   1HE   MET  56          3HE       MET  56  -2.597  -1.976  -6.956
  446   2HE   MET  56          2HE       MET  56  -4.307  -1.888  -7.371
  447   3HE   MET  56          1HE       MET  56  -3.131  -0.980  -8.317
  448    H    PHE  57           H        PHE  57  -2.344   4.701  -4.923
  449    HA   PHE  57           HA       PHE  57  -5.248   4.501  -5.273
  450   1HB   PHE  57          1HB       PHE  57  -3.319   6.297  -3.866
  451   2HB   PHE  57          2HB       PHE  57  -4.909   6.964  -4.230
  452    HD1  PHE  57           HD1      PHE  57  -3.045   4.569  -2.194
  453    HD2  PHE  57           HD2      PHE  57  -6.971   5.836  -3.378
  454    HE1  PHE  57           HE1      PHE  57  -4.008   3.330  -0.291
  455    HE2  PHE  57           HE2      PHE  57  -7.942   4.586  -1.472
  456    HZ   PHE  57           HZ       PHE  57  -6.463   3.332   0.071
  457    H    GLU  58           H        GLU  58  -2.623   6.354  -6.835
  458    HA   GLU  58           HA       GLU  58  -4.300   8.236  -8.235
  459   1HB   GLU  58          1HB       GLU  58  -1.541   7.111  -8.557
  460   2HB   GLU  58          2HB       GLU  58  -2.235   7.986  -9.922
  461   1HG   GLU  58          1HG       GLU  58  -2.253   9.134  -7.129
  462   2HG   GLU  58          2HG       GLU  58  -0.890   9.373  -8.223
  463    H    LYS  59           H        LYS  59  -3.273   4.889  -9.019
  464    HA   LYS  59           HA       LYS  59  -4.267   4.793 -11.706
  465   1HB   LYS  59          1HB       LYS  59  -2.943   3.068 -10.159
  466   2HB   LYS  59          2HB       LYS  59  -4.563   2.424  -9.888
  467   1HG   LYS  59          1HG       LYS  59  -4.837   2.422 -12.430
  468   2HG   LYS  59          2HG       LYS  59  -3.099   2.714 -12.518
  469   1HD   LYS  59          1HD       LYS  59  -2.993   0.661 -10.850
  470   2HD   LYS  59          2HD       LYS  59  -4.565   0.284 -11.556
  471   1HE   LYS  59          1HE       LYS  59  -3.285  -0.784 -13.143
  472   2HE   LYS  59          2HE       LYS  59  -3.114   0.852 -13.810
  473   1HZ   LYS  59          2HZ       LYS  59  -1.338  -0.317 -11.734
  474   2HZ   LYS  59          1HZ       LYS  59  -0.951  -0.230 -13.386
  475   3HZ   LYS  59          3HZ       LYS  59  -1.155   1.194 -12.489
  476    H    LEU  60           H        LEU  60  -5.965   4.265  -8.593
  477    HA   LEU  60           HA       LEU  60  -8.481   3.394  -9.675
  478   1HB   LEU  60          1HB       LEU  60  -7.518   4.680  -7.148
  479   2HB   LEU  60          2HB       LEU  60  -9.253   4.728  -7.457
  480    HG   LEU  60           HG       LEU  60  -9.175   2.243  -7.861
  481   1HD1  LEU  60          1HD1      LEU  60  -6.727   2.172  -8.370
  482   2HD1  LEU  60          3HD1      LEU  60  -6.398   2.513  -6.671
  483   3HD1  LEU  60          2HD1      LEU  60  -7.201   1.010  -7.130
  484   1HD2  LEU  60          3HD2      LEU  60  -8.458   3.503  -5.225
  485   2HD2  LEU  60          2HD2      LEU  60  -9.993   2.802  -5.737
  486   3HD2  LEU  60          1HD2      LEU  60  -8.632   1.752  -5.342
  487    H    GLU  61           H        GLU  61  -7.244   6.709  -9.012
  488    HA   GLU  61           HA       GLU  61  -9.610   8.139  -9.793
  489   1HB   GLU  61          1HB       GLU  61  -6.651   8.794  -9.893
  490   2HB   GLU  61          2HB       GLU  61  -7.886   9.975 -10.332
  491   1HG   GLU  61          1HG       GLU  61  -8.949   9.591  -8.081
  492   2HG   GLU  61          2HG       GLU  61  -7.559   8.592  -7.655
  493    H    ARG  62           H        ARG  62  -6.930   6.780 -11.736
  494    HA   ARG  62           HA       ARG  62  -8.311   7.706 -14.227
  495   1HB   ARG  62          1HB       ARG  62  -5.506   6.740 -13.588
  496   2HB   ARG  62          2HB       ARG  62  -6.062   7.068 -15.232
  497   1HG   ARG  62          1HG       ARG  62  -6.572   9.203 -13.228
  498   2HG   ARG  62          2HG       ARG  62  -4.887   8.949 -13.683
  499   1HD   ARG  62          1HD       ARG  62  -5.860   8.944 -16.144
  500   2HD   ARG  62          2HD       ARG  62  -7.187   9.850 -15.390
  501    HE   ARG  62           HE       ARG  62  -4.346  10.720 -15.486
  502   1HH1  ARG  62          1HH1      ARG  62  -4.464  12.086 -13.297
  503   2HH1  ARG  62          2HH1      ARG  62  -5.633  13.358 -13.427
  504   1HH2  ARG  62          1HH2      ARG  62  -7.220  11.974 -16.183
  505   2HH2  ARG  62          2HH2      ARG  62  -7.193  13.294 -15.062
  506    H    ALA  63           H        ALA  63  -9.220   5.309 -12.573
  507    HA   ALA  63           HA       ALA  63  -8.567   3.104 -14.498
  508   1HB   ALA  63          2HB       ALA  63  -8.094   2.171 -12.463
  509   2HB   ALA  63          3HB       ALA  63  -9.841   1.953 -12.362
  510   3HB   ALA  63          1HB       ALA  63  -9.082   3.345 -11.592
  511    H    ARG  64           H        ARG  64 -10.514   1.562 -14.873
  512    HA   ARG  64           HA       ARG  64 -12.832   3.181 -15.712
  513   1HB   ARG  64          1HB       ARG  64 -11.911   0.334 -15.989
  514   2HB   ARG  64          2HB       ARG  64 -13.603   0.712 -16.315
  515   1HG   ARG  64          1HG       ARG  64 -12.990   2.327 -18.003
  516   2HG   ARG  64          2HG       ARG  64 -11.282   2.189 -17.584
  517   1HD   ARG  64          1HD       ARG  64 -12.610  -0.372 -18.281
  518   2HD   ARG  64          2HD       ARG  64 -12.416   0.781 -19.617
  519    HE   ARG  64           HE       ARG  64 -10.141  -0.085 -17.868
  520   1HH1  ARG  64          1HH1      ARG  64 -10.819   2.102 -20.257
  521   2HH1  ARG  64          2HH1      ARG  64  -9.646   1.527 -21.393
  522   1HH2  ARG  64          1HH2      ARG  64  -8.916  -1.343 -19.590
  523   2HH2  ARG  64          2HH2      ARG  64  -8.568  -0.424 -21.016
  524    H    ALA  65           H        ALA  65 -15.076   2.719 -15.006
  525    HA   ALA  65           HA       ALA  65 -15.247   2.259 -12.105
  526   1HB   ALA  65          1HB       ALA  65 -16.615   3.908 -13.484
  527   2HB   ALA  65          2HB       ALA  65 -17.557   2.894 -12.392
  528   3HB   ALA  65          3HB       ALA  65 -17.505   2.522 -14.115
  529    H    THR  66           H        THR  66 -16.060   0.373 -15.044
  530    HA   THR  66           HA       THR  66 -17.680  -1.666 -13.957
  531    HB   THR  66           HB       THR  66 -15.397  -2.272 -15.842
  532    HG1  THR  66           HG1      THR  66 -16.503  -1.241 -17.444
  533   1HG2  THR  66          3HG2      THR  66 -17.137  -3.992 -15.080
  534   2HG2  THR  66          2HG2      THR  66 -18.311  -3.054 -16.002
  535   3HG2  THR  66          1HG2      THR  66 -16.937  -3.798 -16.822
  536    H    THR  67           H        THR  67 -14.117  -1.322 -13.660
  537    HA   THR  67           HA       THR  67 -14.105  -3.757 -11.906
  538    HB   THR  67           HB       THR  67 -11.625  -2.440 -12.943
  539    HG1  THR  67           HG1      THR  67 -11.929  -3.262 -14.951
  540   1HG2  THR  67          2HG2      THR  67 -12.052  -4.689 -11.531
  541   2HG2  THR  67          1HG2      THR  67 -12.201  -5.350 -13.160
  542   3HG2  THR  67          3HG2      THR  67 -10.718  -4.530 -12.674
  543    H    LYS  68           H        LYS  68 -13.155  -3.567  -9.780
  544    HA   LYS  68           HA       LYS  68 -12.376  -0.795  -8.946
  545   1HB   LYS  68          1HB       LYS  68 -13.710  -1.215  -6.867
  546   2HB   LYS  68          2HB       LYS  68 -14.703  -1.198  -8.322
  547   1HG   LYS  68          1HG       LYS  68 -15.272  -3.386  -8.103
  548   2HG   LYS  68          2HG       LYS  68 -13.637  -3.862  -7.652
  549   1HD   LYS  68          1HD       LYS  68 -14.218  -2.598  -5.406
  550   2HD   LYS  68          2HD       LYS  68 -15.881  -2.909  -5.906
  551   1HE   LYS  68          1HE       LYS  68 -13.928  -5.183  -6.032
  552   2HE   LYS  68          2HE       LYS  68 -14.577  -4.708  -4.450
  553   1HZ   LYS  68          1HZ       LYS  68 -16.242  -5.173  -6.866
  554   2HZ   LYS  68          3HZ       LYS  68 -16.002  -6.327  -5.647
  555   3HZ   LYS  68          2HZ       LYS  68 -16.795  -4.869  -5.289
  556    H    LYS  69           H        LYS  69 -10.702  -0.730  -7.342
  557    HA   LYS  69           HA       LYS  69  -9.624  -3.390  -6.465
  558   1HB   LYS  69          1HB       LYS  69  -8.327  -1.019  -7.797
  559   2HB   LYS  69          2HB       LYS  69  -7.366  -2.087  -6.775
  560   1HG   LYS  69          1HG       LYS  69  -7.917  -4.004  -8.136
  561   2HG   LYS  69          2HG       LYS  69  -9.088  -3.068  -9.066
  562   1HD   LYS  69          1HD       LYS  69  -6.188  -2.248  -8.939
  563   2HD   LYS  69          2HD       LYS  69  -6.750  -3.436 -10.115
  564   1HE   LYS  69          1HE       LYS  69  -8.157  -0.777  -9.824
  565   2HE   LYS  69          2HE       LYS  69  -6.732  -0.953 -10.867
  566   1HZ   LYS  69          1HZ       LYS  69  -7.842  -2.921 -11.863
  567   2HZ   LYS  69          3HZ       LYS  69  -9.244  -2.534 -10.990
  568   3HZ   LYS  69          2HZ       LYS  69  -8.655  -1.460 -12.167
  569    H    ILE  70           H        ILE  70  -8.653  -3.368  -4.331
  570    HA   ILE  70           HA       ILE  70  -8.444  -2.638  -2.101
  571    HB   ILE  70           HB       ILE  70  -7.978  -0.030  -3.591
  572   1HG1  ILE  70          1HG1      ILE  70  -6.018  -2.146  -2.641
  573   2HG1  ILE  70          2HG1      ILE  70  -6.541  -1.943  -4.312
  574   1HG2  ILE  70          1HG2      ILE  70  -8.385   0.087  -1.063
  575   2HG2  ILE  70          3HG2      ILE  70  -6.899  -0.845  -0.883
  576   3HG2  ILE  70          2HG2      ILE  70  -6.853   0.749  -1.631
  577   1HD1  ILE  70          2HD1      ILE  70  -5.234   0.258  -2.694
  578   2HD1  ILE  70          1HD1      ILE  70  -4.344  -0.820  -3.768
  579   3HD1  ILE  70          3HD1      ILE  70  -5.571   0.264  -4.425
  580    H    GLU  71           H        GLU  71 -10.593  -2.877  -1.261
  581    HA   GLU  71           HA       GLU  71 -12.368  -0.467  -1.511
  582   1HB   GLU  71          1HB       GLU  71 -12.839  -3.433  -1.169
  583   2HB   GLU  71          2HB       GLU  71 -14.107  -2.261  -0.808
  584   1HG   GLU  71          1HG       GLU  71 -12.634  -2.178  -3.436
  585   2HG   GLU  71          2HG       GLU  71 -14.015  -3.252  -3.206
  586    H    ASP  72           H        ASP  72 -12.852   0.630   0.427
  587    HA   ASP  72           HA       ASP  72 -12.742   1.169   2.725
  588   1HB   ASP  72          1HB       ASP  72 -13.134  -1.843   2.857
  589   2HB   ASP  72          2HB       ASP  72 -13.449  -0.720   4.178
  590    H    LEU  73           H        LEU  73 -11.574   0.013   4.941
  591    HA   LEU  73           HA       LEU  73  -8.714  -0.292   4.088
  592   1HB   LEU  73          1HB       LEU  73  -9.314   1.671   5.473
  593   2HB   LEU  73          2HB       LEU  73  -9.971   0.598   6.708
  594    HG   LEU  73           HG       LEU  73  -7.662  -0.493   6.797
  595   1HD1  LEU  73          1HD1      LEU  73  -7.105   0.775   4.538
  596   2HD1  LEU  73          3HD1      LEU  73  -6.630   2.071   5.634
  597   3HD1  LEU  73          2HD1      LEU  73  -5.844   0.496   5.738
  598   1HD2  LEU  73          1HD2      LEU  73  -8.697   1.414   8.307
  599   2HD2  LEU  73          3HD2      LEU  73  -6.994   0.986   8.471
  600   3HD2  LEU  73          2HD2      LEU  73  -7.459   2.410   7.540
  601    H    THR  74           H        THR  74 -10.859  -1.391   6.794
  602    HA   THR  74           HA       THR  74  -9.226  -3.609   7.581
  603    HB   THR  74           HB       THR  74 -11.756  -4.443   8.192
  604    HG1  THR  74           HG1      THR  74 -12.815  -2.827   7.148
  605   1HG2  THR  74          1HG2      THR  74  -9.832  -2.533   9.439
  606   2HG2  THR  74          3HG2      THR  74 -11.432  -2.676  10.167
  607   3HG2  THR  74          2HG2      THR  74 -10.398  -4.098  10.023
  608    H    GLU  75           H        GLU  75 -11.707  -3.379   5.006
  609    HA   GLU  75           HA       GLU  75 -12.195  -6.081   4.419
  610   1HB   GLU  75          1HB       GLU  75 -12.045  -3.548   2.866
  611   2HB   GLU  75          2HB       GLU  75 -12.037  -5.037   1.920
  612   1HG   GLU  75          1HG       GLU  75 -14.038  -4.724   4.134
  613   2HG   GLU  75          2HG       GLU  75 -14.330  -3.920   2.592
  614    H    LEU  76           H        LEU  76  -9.215  -4.241   3.638
  615    HA   LEU  76           HA       LEU  76  -8.126  -6.471   2.035
  616   1HB   LEU  76          1HB       LEU  76  -6.981  -3.853   3.064
  617   2HB   LEU  76          2HB       LEU  76  -6.059  -4.983   2.075
  618    HG   LEU  76           HG       LEU  76  -8.648  -3.609   1.279
  619   1HD1  LEU  76          1HD1      LEU  76  -5.752  -3.118   0.785
  620   2HD1  LEU  76          3HD1      LEU  76  -6.840  -2.897  -0.585
  621   3HD1  LEU  76          2HD1      LEU  76  -7.084  -1.968   0.895
  622   1HD2  LEU  76          3HD2      LEU  76  -6.998  -5.786   0.011
  623   2HD2  LEU  76          2HD2      LEU  76  -8.752  -5.663   0.145
  624   3HD2  LEU  76          1HD2      LEU  76  -7.882  -4.651  -1.009
  625    H    GLU  77           H        GLU  77  -6.279  -7.788   2.693
  626    HA   GLU  77           HA       GLU  77  -6.211  -8.261   5.634
  627   1HB   GLU  77          1HB       GLU  77  -6.535 -10.113   3.996
  628   2HB   GLU  77          2HB       GLU  77  -4.947  -9.760   3.313
  629   1HG   GLU  77          1HG       GLU  77  -3.819 -10.461   5.258
  630   2HG   GLU  77          2HG       GLU  77  -5.267 -10.325   6.256
  631    H    GLY  78           H        GLY  78  -4.403  -7.792   6.927
  632   1HA   GLY  78          2HA       GLY  78  -2.108  -6.489   5.543
  633   2HA   GLY  78          1HA       GLY  78  -1.801  -7.771   6.713
  634    H    TRP  79           H        TRP  79  -4.140  -5.023   6.780
  635    HA   TRP  79           HA       TRP  79  -2.793  -3.298   8.557
  636   1HB   TRP  79          1HB       TRP  79  -5.071  -2.515   9.197
  637   2HB   TRP  79          2HB       TRP  79  -4.914  -2.746   7.457
  638    HD1  TRP  79           HD1      TRP  79  -6.475  -4.456   6.323
  639    HE1  TRP  79           HE1      TRP  79  -8.331  -6.037   7.158
  640    HE3  TRP  79           HE3      TRP  79  -5.776  -4.055  11.367
  641    HZ2  TRP  79           HZ2      TRP  79  -9.383  -7.002   9.635
  642    HZ3  TRP  79           HZ3      TRP  79  -7.221  -5.314  12.939
  643    HH2  TRP  79           HH2      TRP  79  -9.021  -6.785  12.080
  644    H    GLU  80           H        GLU  80  -4.471  -6.337   9.380
  645    HA   GLU  80           HA       GLU  80  -4.797  -6.038  12.171
  646   1HB   GLU  80          1HB       GLU  80  -5.314  -8.013  10.537
  647   2HB   GLU  80          2HB       GLU  80  -3.702  -8.580  10.973
  648   1HG   GLU  80          1HG       GLU  80  -5.717  -7.816  13.086
  649   2HG   GLU  80          2HG       GLU  80  -5.689  -9.437  12.390
  650    H    GLU  81           H        GLU  81  -1.733  -6.529  10.386
  651    HA   GLU  81           HA       GLU  81  -0.317  -6.676  13.026
  652   1HB   GLU  81          1HB       GLU  81   0.244  -7.704  10.249
  653   2HB   GLU  81          2HB       GLU  81   1.534  -7.579  11.445
  654   1HG   GLU  81          1HG       GLU  81   0.014  -8.892  13.023
  655   2HG   GLU  81          2HG       GLU  81  -0.998  -9.223  11.617
  656    H    LEU  82           H        LEU  82  -1.182  -4.090  11.582
  657    HA   LEU  82           HA       LEU  82   1.548  -2.964  11.075
  658   1HB   LEU  82          1HB       LEU  82  -1.187  -1.950  10.218
  659   2HB   LEU  82          2HB       LEU  82   0.365  -1.322   9.685
  660    HG   LEU  82           HG       LEU  82  -0.812  -4.048   9.081
  661   1HD1  LEU  82          1HD1      LEU  82  -1.369  -1.788   7.814
  662   2HD1  LEU  82          3HD1      LEU  82   0.190  -2.091   7.048
  663   3HD1  LEU  82          2HD1      LEU  82  -1.105  -3.281   6.913
  664   1HD2  LEU  82          1HD2      LEU  82   1.982  -3.194   9.170
  665   2HD2  LEU  82          3HD2      LEU  82   1.318  -4.807   8.924
  666   3HD2  LEU  82          2HD2      LEU  82   1.520  -3.717   7.552
  667    H    GLU  83           H        GLU  83   0.948  -0.237  11.429
  668    HA   GLU  83           HA       GLU  83   0.434  -0.150  14.375
  669   1HB   GLU  83          1HB       GLU  83   1.882   1.573  12.365
  670   2HB   GLU  83          2HB       GLU  83   1.446   2.224  13.945
  671   1HG   GLU  83          1HG       GLU  83   2.639   0.345  15.035
  672   2HG   GLU  83          2HG       GLU  83   3.106  -0.265  13.447
  673    H    ASP  84           H        ASP  84  -0.881   1.744  15.200
  674    HA   ASP  84           HA       ASP  84  -3.327   2.061  13.599
  675   1HB   ASP  84          1HB       ASP  84  -2.923   1.896  16.219
  676   2HB   ASP  84          2HB       ASP  84  -2.752   3.646  16.083
  677    H    ASN  85           H        ASN  85  -0.631   4.197  14.602
  678    HA   ASN  85           HA       ASN  85  -1.780   6.597  13.424
  679   1HB   ASN  85          1HB       ASN  85   0.025   6.550  15.171
  680   2HB   ASN  85          2HB       ASN  85   1.134   5.914  13.956
  681   1HD2  ASN  85          2HD2      ASN  85   2.194   7.457  12.610
  682   2HD2  ASN  85          1HD2      ASN  85   1.774   9.101  12.560
  683    H    GLU  86           H        GLU  86   0.520   4.131  12.224
  684    HA   GLU  86           HA       GLU  86   0.912   5.449   9.647
  685   1HB   GLU  86          1HB       GLU  86   2.072   3.316  11.025
  686   2HB   GLU  86          2HB       GLU  86   1.241   2.523   9.688
  687   1HG   GLU  86          1HG       GLU  86   3.164   3.037   8.561
  688   2HG   GLU  86          2HG       GLU  86   2.369   4.599   8.362
  689    H    LYS  87           H        LYS  87  -1.293   2.895  10.853
  690    HA   LYS  87           HA       LYS  87  -2.496   2.232   8.327
  691   1HB   LYS  87          1HB       LYS  87  -2.784   0.949  10.450
  692   2HB   LYS  87          2HB       LYS  87  -3.748   2.277  11.098
  693   1HG   LYS  87          1HG       LYS  87  -5.170   1.949   8.914
  694   2HG   LYS  87          2HG       LYS  87  -4.425   0.350   8.893
  695   1HD   LYS  87          1HD       LYS  87  -6.346  -0.045  10.161
  696   2HD   LYS  87          2HD       LYS  87  -5.150   0.281  11.416
  697   1HE   LYS  87          1HE       LYS  87  -5.993   2.816  10.921
  698   2HE   LYS  87          2HE       LYS  87  -7.482   1.914  10.574
  699   1HZ   LYS  87          1HZ       LYS  87  -5.802   1.534  12.995
  700   2HZ   LYS  87          3HZ       LYS  87  -7.232   2.443  12.956
  701   3HZ   LYS  87          2HZ       LYS  87  -7.282   0.771  12.662
  702    H    GLU  88           H        GLU  88  -3.250   4.808  10.707
  703    HA   GLU  88           HA       GLU  88  -5.662   5.784   9.525
  704   1HB   GLU  88          1HB       GLU  88  -4.302   6.455  11.696
  705   2HB   GLU  88          2HB       GLU  88  -3.593   7.668  10.630
  706   1HG   GLU  88          1HG       GLU  88  -5.957   8.339   9.994
  707   2HG   GLU  88          2HG       GLU  88  -6.521   7.298  11.302
  708    H    GLN  89           H        GLN  89  -2.250   6.384   8.601
  709    HA   GLN  89           HA       GLN  89  -2.675   8.543   6.778
  710   1HB   GLN  89          1HB       GLN  89  -0.508   7.211   7.641
  711   2HB   GLN  89          2HB       GLN  89  -0.708   6.390   6.093
  712   1HG   GLN  89          1HG       GLN  89  -0.578   8.473   4.885
  713   2HG   GLN  89          2HG       GLN  89  -0.635   9.404   6.382
  714   1HE2  GLN  89          1HE2      GLN  89   1.494  10.375   6.256
  715   2HE2  GLN  89          2HE2      GLN  89   2.914   9.446   6.275
  716    H    ILE  90           H        ILE  90  -2.984   5.012   6.257
  717    HA   ILE  90           HA       ILE  90  -3.489   5.187   3.403
  718    HB   ILE  90           HB       ILE  90  -4.374   3.117   5.456
  719   1HG1  ILE  90          1HG1      ILE  90  -2.094   2.649   3.601
  720   2HG1  ILE  90          2HG1      ILE  90  -1.814   3.805   4.902
  721   1HG2  ILE  90          1HG2      ILE  90  -5.594   3.005   3.279
  722   2HG2  ILE  90          3HG2      ILE  90  -4.044   2.864   2.450
  723   3HG2  ILE  90          2HG2      ILE  90  -4.572   1.595   3.557
  724   1HD1  ILE  90          2HD1      ILE  90  -2.940   1.938   6.391
  725   2HD1  ILE  90          1HD1      ILE  90  -2.444   0.878   5.072
  726   3HD1  ILE  90          3HD1      ILE  90  -1.237   1.811   5.954
  727    H    THR  91           H        THR  91  -5.656   5.207   6.274
  728    HA   THR  91           HA       THR  91  -8.152   5.183   4.871
  729    HB   THR  91           HB       THR  91  -7.443   6.639   7.443
  730    HG1  THR  91           HG1      THR  91  -7.058   4.655   8.067
  731   1HG2  THR  91          3HG2      THR  91  -9.682   7.130   6.346
  732   2HG2  THR  91          2HG2      THR  91 -10.087   5.432   6.603
  733   3HG2  THR  91          1HG2      THR  91  -9.771   6.482   7.985
  734    H    GLN  92           H        GLN  92  -5.963   7.907   5.658
  735    HA   GLN  92           HA       GLN  92  -7.684  10.053   4.853
  736   1HB   GLN  92          1HB       GLN  92  -4.709   9.612   4.986
  737   2HB   GLN  92          2HB       GLN  92  -5.320  11.088   4.238
  738   1HG   GLN  92          1HG       GLN  92  -6.818  11.184   6.424
  739   2HG   GLN  92          2HG       GLN  92  -5.526  10.181   7.085
  740   1HE2  GLN  92          1HE2      GLN  92  -3.690  11.315   7.853
  741   2HE2  GLN  92          2HE2      GLN  92  -3.327  12.921   7.443
  742    H    HIS  93           H        HIS  93  -5.473   7.996   2.901
  743    HA   HIS  93           HA       HIS  93  -5.783   9.393   0.408
  744   1HB   HIS  93          1HB       HIS  93  -4.950   6.672   1.304
  745   2HB   HIS  93          2HB       HIS  93  -5.456   6.804  -0.379
  746    HD1  HIS  93           HD1      HIS  93  -3.625   7.442  -1.927
  747    HD2  HIS  93           HD2      HIS  93  -2.933   8.890   1.915
  748    HE1  HIS  93           HE1      HIS  93  -1.372   8.595  -1.992
  749    H    ILE  94           H        ILE  94  -7.631   6.564   1.690
  750    HA   ILE  94           HA       ILE  94  -9.480   6.456  -0.525
  751    HB   ILE  94           HB       ILE  94  -9.771   5.585   2.376
  752   1HG1  ILE  94          1HG1      ILE  94  -9.294   3.697   0.117
  753   2HG1  ILE  94          2HG1      ILE  94  -7.939   4.706   0.613
  754   1HG2  ILE  94          3HG2      ILE  94 -11.961   5.756   1.219
  755   2HG2  ILE  94          2HG2      ILE  94 -11.342   4.741  -0.084
  756   3HG2  ILE  94          1HG2      ILE  94 -11.531   4.075   1.539
  757   1HD1  ILE  94          3HD1      ILE  94  -8.407   3.958   2.998
  758   2HD1  ILE  94          2HD1      ILE  94  -9.507   2.761   2.313
  759   3HD1  ILE  94          1HD1      ILE  94  -7.788   2.711   1.916
  760    H    ALA  95           H        ALA  95  -9.583   8.230   2.587
  761    HA   ALA  95           HA       ALA  95 -12.258   9.264   2.271
  762   1HB   ALA  95          1HB       ALA  95 -11.202  11.151   3.784
  763   2HB   ALA  95          2HB       ALA  95  -9.796  10.086   3.803
  764   3HB   ALA  95          3HB       ALA  95 -11.344   9.514   4.426
  765    H    ASP  96           H        ASP  96  -9.069  10.505   1.202
  766    HA   ASP  96           HA       ASP  96 -10.171  12.960   0.051
  767   1HB   ASP  96          1HB       ASP  96  -7.780  12.635   0.734
  768   2HB   ASP  96          2HB       ASP  96  -7.589  11.478  -0.582
  769    H    LEU  97           H        LEU  97  -9.402   9.692  -1.219
  770    HA   LEU  97           HA       LEU  97 -10.042  10.362  -3.991
  771   1HB   LEU  97          1HB       LEU  97  -8.572   8.478  -3.321
  772   2HB   LEU  97          2HB       LEU  97  -9.938   7.693  -2.530
  773    HG   LEU  97           HG       LEU  97 -11.111   7.820  -4.821
  774   1HD1  LEU  97          2HD1      LEU  97  -8.335   8.726  -5.461
  775   2HD1  LEU  97          1HD1      LEU  97  -9.146   7.674  -6.621
  776   3HD1  LEU  97          3HD1      LEU  97  -9.868   9.220  -6.177
  777   1HD2  LEU  97          2HD2      LEU  97  -8.866   6.049  -3.973
  778   2HD2  LEU  97          1HD2      LEU  97 -10.552   5.646  -4.299
  779   3HD2  LEU  97          3HD2      LEU  97  -9.427   5.885  -5.636
  780    H    SER  98           H        SER  98 -11.904   8.960  -1.249
  781    HA   SER  98           HA       SER  98 -14.252   8.273  -2.792
  782   1HB   SER  98          1HB       SER  98 -13.679   8.851   0.113
  783   2HB   SER  98          2HB       SER  98 -15.335   8.579  -0.422
  784    HG   SER  98           HG       SER  98 -14.282   6.642   0.224
  785    H    SER  99           H        SER  99 -13.569  11.202  -0.772
  786    HA   SER  99           HA       SER  99 -15.693  12.616  -2.357
  787   1HB   SER  99          1HB       SER  99 -15.040  12.374   0.517
  788   2HB   SER  99          2HB       SER  99 -15.414  14.012  -0.015
  789    HG   SER  99           HG       SER  99 -16.989  11.668  -0.239
  790    H    LYS 100           H        LYS 100 -14.750  14.138  -3.726
  791    HA   LYS 100           HA       LYS 100 -12.493  15.774  -2.657
  792   1HB   LYS 100          1HB       LYS 100 -12.091  13.605  -4.275
  793   2HB   LYS 100          2HB       LYS 100 -12.270  14.886  -5.474
  794   1HG   LYS 100          1HG       LYS 100 -10.614  16.207  -3.940
  795   2HG   LYS 100          2HG       LYS 100 -10.212  14.614  -3.297
  796   1HD   LYS 100          1HD       LYS 100  -9.723  13.822  -5.593
  797   2HD   LYS 100          2HD       LYS 100 -10.080  15.434  -6.214
  798   1HE   LYS 100          1HE       LYS 100  -8.284  16.236  -4.483
  799   2HE   LYS 100          2HE       LYS 100  -7.754  14.543  -4.520
  800   1HZ   LYS 100          2HZ       LYS 100  -7.696  14.657  -6.941
  801   2HZ   LYS 100          1HZ       LYS 100  -8.153  16.293  -6.890
  802   3HZ   LYS 100          3HZ       LYS 100  -6.654  15.813  -6.259
  803    H    ALA 101           H        ALA 101 -14.387  15.321  -5.720
  804    HA   ALA 101           HA       ALA 101 -15.456  16.919  -7.087
  805   1HB   ALA 101          1HB       ALA 101 -16.810  18.517  -5.791
  806   2HB   ALA 101          3HB       ALA 101 -16.841  16.931  -5.022
  807   3HB   ALA 101          2HB       ALA 101 -15.823  18.211  -4.363
  808    H    ALA 102           H        ALA 102 -12.860  17.345  -7.529
  809    HA   ALA 102           HA       ALA 102 -12.534  20.312  -7.317
  810   1HB   ALA 102          1HB       ALA 102 -11.229  18.583  -5.693
  811   2HB   ALA 102          3HB       ALA 102 -10.128  18.577  -7.071
  812   3HB   ALA 102          2HB       ALA 102 -10.506  20.092  -6.250
  813    H    GLY 103           H        GLY 103 -13.490  18.991  -9.651
  814   1HA   GLY 103          2HA       GLY 103 -12.269  17.949 -11.671
  815   2HA   GLY 103          1HA       GLY 103 -11.111  19.260 -11.443
  816    H    THR 104           H        THR 104 -14.705  18.876 -11.731
  817    HA   THR 104           HA       THR 104 -16.246  20.098 -13.031
  818    HB   THR 104           HB       THR 104 -14.256  22.297 -12.373
  819    HG1  THR 104           HG1      THR 104 -14.853  21.414 -10.478
  820   1HG2  THR 104          3HG2      THR 104 -15.992  22.868 -14.075
  821   2HG2  THR 104          2HG2      THR 104 -17.236  22.429 -12.904
  822   3HG2  THR 104          1HG2      THR 104 -16.164  23.792 -12.582
  823    HA   PRO 105           HA       PRO 105 -13.406  19.988 -16.726
  824   1HB   PRO 105          1HB       PRO 105 -14.789  18.097 -18.138
  825   2HB   PRO 105          2HB       PRO 105 -13.522  17.689 -16.964
  826   1HG   PRO 105          1HG       PRO 105 -16.478  17.601 -16.664
  827   2HG   PRO 105          2HG       PRO 105 -15.245  16.497 -16.036
  828   1HD   PRO 105          1HD       PRO 105 -16.482  18.414 -14.528
  829   2HD   PRO 105          2HD       PRO 105 -14.859  17.778 -14.183
  830    H    LYS 106           H        LYS 106 -14.436  20.010 -19.229
  831    HA   LYS 106           HA       LYS 106 -16.899  21.719 -19.122
  832   1HB   LYS 106          1HB       LYS 106 -14.147  22.229 -20.124
  833   2HB   LYS 106          2HB       LYS 106 -15.460  22.800 -21.156
  834   1HG   LYS 106          1HG       LYS 106 -16.385  23.653 -18.771
  835   2HG   LYS 106          2HG       LYS 106 -14.652  23.709 -18.442
  836   1HD   LYS 106          1HD       LYS 106 -14.262  25.168 -20.315
  837   2HD   LYS 106          2HD       LYS 106 -15.913  24.954 -20.897
  838   1HE   LYS 106          1HE       LYS 106 -16.520  25.872 -18.464
  839   2HE   LYS 106          2HE       LYS 106 -14.915  26.615 -18.616
  840   1HZ   LYS 106          2HZ       LYS 106 -15.598  27.357 -20.872
  841   2HZ   LYS 106          1HZ       LYS 106 -17.176  26.827 -20.529
  842   3HZ   LYS 106          3HZ       LYS 106 -16.489  28.083 -19.620
  843    H    LYS 107           H        LYS 107 -14.676  20.219 -21.566
  844    HA   LYS 107           HA       LYS 107 -17.083  18.942 -22.812
  845   1HB   LYS 107          1HB       LYS 107 -14.983  20.758 -23.989
  846   2HB   LYS 107          2HB       LYS 107 -15.841  19.605 -25.013
  847   1HG   LYS 107          1HG       LYS 107 -17.980  20.571 -24.417
  848   2HG   LYS 107          2HG       LYS 107 -17.221  21.618 -23.216
  849   1HD   LYS 107          1HD       LYS 107 -17.346  23.107 -24.974
  850   2HD   LYS 107          2HD       LYS 107 -15.782  22.377 -25.333
  851   1HE   LYS 107          1HE       LYS 107 -16.872  22.189 -27.406
  852   2HE   LYS 107          2HE       LYS 107 -17.264  20.623 -26.667
  853   1HZ   LYS 107          2HZ       LYS 107 -19.275  21.654 -25.729
  854   2HZ   LYS 107          1HZ       LYS 107 -18.928  23.084 -26.579
  855   3HZ   LYS 107          3HZ       LYS 107 -19.284  21.659 -27.428
  856    H    LYS 108           H        LYS 108 -16.619  16.887 -23.820
  857    HA   LYS 108           HA       LYS 108 -13.799  15.905 -23.491
  858   1HB   LYS 108          1HB       LYS 108 -15.837  15.199 -21.903
  859   2HB   LYS 108          2HB       LYS 108 -16.153  14.079 -23.229
  860   1HG   LYS 108          1HG       LYS 108 -14.220  12.885 -22.868
  861   2HG   LYS 108          2HG       LYS 108 -13.336  14.293 -22.281
  862   1HD   LYS 108          1HD       LYS 108 -14.169  14.092 -20.122
  863   2HD   LYS 108          2HD       LYS 108 -15.627  13.251 -20.655
  864   1HE   LYS 108          1HE       LYS 108 -14.362  11.516 -19.668
  865   2HE   LYS 108          2HE       LYS 108 -13.940  11.362 -21.385
  866   1HZ   LYS 108          2HZ       LYS 108 -12.051  12.832 -21.013
  867   2HZ   LYS 108          1HZ       LYS 108 -12.436  12.937 -19.361
  868   3HZ   LYS 108          3HZ       LYS 108 -11.943  11.455 -20.023
  869    H    ALA 109           H        ALA 109 -13.411  16.275 -25.820
  870    HA   ALA 109           HA       ALA 109 -14.935  14.379 -27.582
  871   1HB   ALA 109          3HB       ALA 109 -15.621  16.365 -28.487
  872   2HB   ALA 109          2HB       ALA 109 -14.296  17.263 -27.748
  873   3HB   ALA 109          1HB       ALA 109 -14.025  16.361 -29.239
  874    H    VAL 110           H        VAL 110 -13.571  13.750 -29.586
  875    HA   VAL 110           HA       VAL 110 -10.695  13.460 -28.773
  876    HB   VAL 110           HB       VAL 110 -12.470  11.785 -30.587
  877   1HG1  VAL 110          1HG1      VAL 110  -9.620  11.413 -29.618
  878   2HG1  VAL 110          3HG1      VAL 110 -10.569  10.145 -30.396
  879   3HG1  VAL 110          2HG1      VAL 110 -10.155  11.609 -31.288
  880   1HG2  VAL 110          2HG2      VAL 110 -13.030  11.700 -28.143
  881   2HG2  VAL 110          1HG2      VAL 110 -12.449  10.158 -28.771
  882   3HG2  VAL 110          3HG2      VAL 110 -11.374  11.184 -27.820
  883    H    VAL 111           H        VAL 111  -9.282  14.700 -30.009
  884    HA   VAL 111           HA       VAL 111 -10.046  15.250 -32.861
  885    HB   VAL 111           HB       VAL 111  -8.765  17.100 -30.815
  886   1HG1  VAL 111          2HG1      VAL 111  -9.315  17.322 -33.762
  887   2HG1  VAL 111          1HG1      VAL 111  -9.377  18.768 -32.756
  888   3HG1  VAL 111          3HG1      VAL 111  -7.889  17.826 -32.857
  889   1HG2  VAL 111          1HG2      VAL 111 -11.553  16.755 -31.878
  890   2HG2  VAL 111          3HG2      VAL 111 -11.023  17.100 -30.231
  891   3HG2  VAL 111          2HG2      VAL 111 -10.995  18.373 -31.452
  892    H    GLN 112           H        GLN 112  -8.283  15.115 -34.357
  893    HA   GLN 112           HA       GLN 112  -5.687  14.166 -33.181
  894   1HB   GLN 112          1HB       GLN 112  -7.381  13.436 -35.521
  895   2HB   GLN 112          2HB       GLN 112  -5.635  13.354 -35.761
  896   1HG   GLN 112          1HG       GLN 112  -5.627  12.068 -33.489
  897   2HG   GLN 112          2HG       GLN 112  -7.344  11.822 -33.813
  898   1HE2  GLN 112          1HE2      GLN 112  -5.203   9.713 -33.839
  899   2HE2  GLN 112          2HE2      GLN 112  -5.220   9.070 -35.410
  900    H    ALA 113           H        ALA 113  -4.113  15.776 -33.293
  901    HA   ALA 113           HA       ALA 113  -4.206  17.643 -35.643
  902   1HB   ALA 113          3HB       ALA 113  -2.747  18.340 -33.145
  903   2HB   ALA 113          2HB       ALA 113  -3.767  19.352 -34.169
  904   3HB   ALA 113          1HB       ALA 113  -4.503  18.238 -33.017
  905    H    LYS 114           H        LYS 114  -2.240  17.925 -36.815
  906    HA   LYS 114           HA       LYS 114   0.022  16.138 -35.974
  907   1HB   LYS 114          1HB       LYS 114  -1.028  17.132 -38.633
  908   2HB   LYS 114          2HB       LYS 114   0.559  16.376 -38.484
  909   1HG   LYS 114          1HG       LYS 114  -0.358  14.309 -37.803
  910   2HG   LYS 114          2HG       LYS 114  -1.910  15.036 -37.386
  911   1HD   LYS 114          1HD       LYS 114  -2.181  13.850 -39.479
  912   2HD   LYS 114          2HD       LYS 114  -2.228  15.580 -39.824
  913   1HE   LYS 114          1HE       LYS 114  -0.726  14.832 -41.463
  914   2HE   LYS 114          2HE       LYS 114   0.394  15.248 -40.149
  915   1HZ   LYS 114          3HZ       LYS 114   0.167  12.951 -39.334
  916   2HZ   LYS 114          2HZ       LYS 114  -0.781  12.572 -40.692
  917   3HZ   LYS 114          1HZ       LYS 114   0.848  13.016 -40.886
  918    H    LEU 115           H        LEU 115   1.734  17.307 -35.095
  919    HA   LEU 115           HA       LEU 115   2.203  20.083 -36.141
  920   1HB   LEU 115          1HB       LEU 115   1.453  19.662 -33.720
  921   2HB   LEU 115          2HB       LEU 115   3.040  18.934 -33.468
  922    HG   LEU 115           HG       LEU 115   3.885  21.184 -34.587
  923   1HD1  LEU 115          2HD1      LEU 115   1.185  21.912 -33.412
  924   2HD1  LEU 115          1HD1      LEU 115   2.426  23.081 -33.865
  925   3HD1  LEU 115          3HD1      LEU 115   1.671  22.073 -35.099
  926   1HD2  LEU 115          1HD2      LEU 115   2.965  20.730 -31.746
  927   2HD2  LEU 115          3HD2      LEU 115   4.603  20.639 -32.394
  928   3HD2  LEU 115          2HD2      LEU 115   3.811  22.205 -32.212
  929    H    THR 116           H        THR 116   4.344  20.580 -36.833
  930    HA   THR 116           HA       THR 116   6.391  18.408 -36.524
  931    HB   THR 116           HB       THR 116   6.153  20.094 -39.002
  932    HG1  THR 116           HG1      THR 116   4.629  18.740 -39.806
  933   1HG2  THR 116          3HG2      THR 116   7.075  17.271 -38.404
  934   2HG2  THR 116          2HG2      THR 116   7.039  17.988 -40.015
  935   3HG2  THR 116          1HG2      THR 116   8.101  18.656 -38.776
  936    H    THR 117           H        THR 117   7.705  19.532 -34.980
  937    HA   THR 117           HA       THR 117   9.199  21.174 -34.180
  938    HB   THR 117           HB       THR 117   9.588  22.106 -36.994
  939    HG1  THR 117           HG1      THR 117  10.365  20.179 -37.637
  940   1HG2  THR 117          3HG2      THR 117  11.243  21.437 -34.587
  941   2HG2  THR 117          2HG2      THR 117  11.994  21.392 -36.181
  942   3HG2  THR 117          1HG2      THR 117  11.268  22.887 -35.591

  No H/Q in entry =         942
  Start of MODEL    5
    1    H1   MET   1           H        MET   1 -15.952 -16.253 -11.439
    2    H2   MET   1           HN2      MET   1 -14.405 -16.943 -11.574
    3    HA   MET   1           HA       MET   1 -14.573 -16.593 -14.049
    4   1HB   MET   1          1HB       MET   1 -17.110 -16.428 -13.764
    5   2HB   MET   1          2HB       MET   1 -16.840 -14.794 -13.154
    6   1HG   MET   1          1HG       MET   1 -15.395 -14.572 -15.371
    7   2HG   MET   1          2HG       MET   1 -16.451 -15.874 -15.918
    8   1HE   MET   1          2HE       MET   1 -15.762 -12.527 -16.094
    9   2HE   MET   1          1HE       MET   1 -16.574 -13.143 -17.531
   10   3HE   MET   1          3HE       MET   1 -17.257 -11.775 -16.643
   11    H    ALA   2           H        ALA   2 -15.454 -14.138 -11.529
   12    HA   ALA   2           HA       ALA   2 -13.012 -12.599 -12.358
   13   1HB   ALA   2          3HB       ALA   2 -15.820 -11.911 -11.631
   14   2HB   ALA   2          2HB       ALA   2 -14.567 -10.789 -11.099
   15   3HB   ALA   2          1HB       ALA   2 -14.753 -11.156 -12.814
   16    H    GLU   3           H        GLU   3 -11.538 -13.545 -10.795
   17    HA   GLU   3           HA       GLU   3 -12.311 -13.140  -7.921
   18   1HB   GLU   3          1HB       GLU   3 -11.721 -15.459  -9.189
   19   2HB   GLU   3          2HB       GLU   3 -10.097 -14.964  -8.711
   20   1HG   GLU   3          1HG       GLU   3 -10.546 -15.164  -6.460
   21   2HG   GLU   3          2HG       GLU   3 -12.250 -14.755  -6.658
   22    H    GLN   4           H        GLN   4 -11.013 -11.684  -6.770
   23    HA   GLN   4           HA       GLN   4  -8.270 -11.109  -7.811
   24   1HB   GLN   4          1HB       GLN   4 -10.659  -9.345  -7.630
   25   2HB   GLN   4          2HB       GLN   4  -9.129  -8.634  -7.116
   26   1HG   GLN   4          1HG       GLN   4  -8.122  -9.436  -9.287
   27   2HG   GLN   4          2HG       GLN   4  -9.746  -9.893  -9.800
   28   1HE2  GLN   4          1HE2      GLN   4  -9.694  -8.216 -11.539
   29   2HE2  GLN   4          2HE2      GLN   4  -9.865  -6.575 -11.138
   30    H    ARG   5           H        ARG   5  -6.778 -10.893  -6.106
   31    HA   ARG   5           HA       ARG   5  -7.913 -10.595  -3.341
   32   1HB   ARG   5          1HB       ARG   5  -7.112 -12.886  -3.963
   33   2HB   ARG   5          2HB       ARG   5  -5.514 -12.207  -4.273
   34   1HG   ARG   5          1HG       ARG   5  -5.126 -11.741  -2.017
   35   2HG   ARG   5          2HG       ARG   5  -6.846 -11.718  -1.624
   36   1HD   ARG   5          1HD       ARG   5  -6.763 -14.254  -2.332
   37   2HD   ARG   5          2HD       ARG   5  -5.028 -14.085  -1.999
   38    HE   ARG   5           HE       ARG   5  -5.539 -13.647   0.298
   39   1HH1  ARG   5          1HH1      ARG   5  -7.682 -11.812   0.432
   40   2HH1  ARG   5          2HH1      ARG   5  -9.081 -12.761   0.808
   41   1HH2  ARG   5          1HH2      ARG   5  -7.626 -15.763  -0.136
   42   2HH2  ARG   5          2HH2      ARG   5  -9.049 -14.998   0.487
   43    H    PHE   6           H        PHE   6  -7.004  -8.879  -2.172
   44    HA   PHE   6           HA       PHE   6  -4.435  -7.719  -3.213
   45   1HB   PHE   6          1HB       PHE   6  -7.115  -6.612  -2.706
   46   2HB   PHE   6          2HB       PHE   6  -5.826  -5.673  -1.956
   47    HD1  PHE   6           HD1      PHE   6  -3.853  -4.926  -3.410
   48    HD2  PHE   6           HD2      PHE   6  -7.507  -6.500  -5.035
   49    HE1  PHE   6           HE1      PHE   6  -3.309  -3.919  -5.607
   50    HE2  PHE   6           HE2      PHE   6  -6.960  -5.494  -7.235
   51    HZ   PHE   6           HZ       PHE   6  -4.862  -4.202  -7.521
   52    H    CYS   7           H        CYS   7  -2.848  -7.361  -1.621
   53    HA   CYS   7           HA       CYS   7  -3.670  -7.759   1.247
   54   1HB   CYS   7          1HB       CYS   7  -2.135  -9.415  -0.256
   55   2HB   CYS   7          2HB       CYS   7  -0.888  -8.310   0.319
   56    HG   CYS   7           HG       CYS   7  -2.419  -9.021   2.724
   57    H    VAL   8           H        VAL   8  -2.145  -6.522   2.793
   58    HA   VAL   8           HA       VAL   8  -0.905  -4.153   1.438
   59    HB   VAL   8           HB       VAL   8  -1.868  -2.740   3.212
   60   1HG1  VAL   8          3HG1      VAL   8  -3.792  -4.525   1.710
   61   2HG1  VAL   8          2HG1      VAL   8  -4.320  -3.111   2.622
   62   3HG1  VAL   8          1HG1      VAL   8  -3.223  -2.920   1.254
   63   1HG2  VAL   8          2HG2      VAL   8  -1.927  -4.455   5.003
   64   2HG2  VAL   8          1HG2      VAL   8  -3.492  -3.670   4.806
   65   3HG2  VAL   8          3HG2      VAL   8  -3.230  -5.286   4.155
   66    H    ASP   9           H        ASP   9   1.156  -3.641   2.204
   67    HA   ASP   9           HA       ASP   9   2.014  -4.798   4.828
   68   1HB   ASP   9          1HB       ASP   9   3.117  -5.222   2.059
   69   2HB   ASP   9          2HB       ASP   9   4.195  -5.313   3.453
   70    H    TYR  10           H        TYR  10   3.888  -3.656   5.745
   71    HA   TYR  10           HA       TYR  10   4.149  -0.867   4.669
   72   1HB   TYR  10          1HB       TYR  10   3.936  -2.137   7.303
   73   2HB   TYR  10          2HB       TYR  10   5.267  -0.985   7.219
   74    HD1  TYR  10           HD1      TYR  10   1.980  -1.200   8.169
   75    HD2  TYR  10           HD2      TYR  10   4.497   1.169   5.613
   76    HE1  TYR  10           HE1      TYR  10   0.370   0.681   8.321
   77    HE2  TYR  10           HE2      TYR  10   2.886   3.047   5.767
   78    HH   TYR  10           HH       TYR  10   0.225   3.148   6.276
   79    H    ALA  11           H        ALA  11   6.322   0.102   4.623
   80    HA   ALA  11           HA       ALA  11   8.435  -1.968   4.141
   81   1HB   ALA  11          2HB       ALA  11   7.546   0.031   2.565
   82   2HB   ALA  11          1HB       ALA  11   8.799   0.909   3.440
   83   3HB   ALA  11          3HB       ALA  11   9.216  -0.533   2.513
   84    H    LYS  12           H        LYS  12   9.453  -2.319   6.160
   85    HA   LYS  12           HA       LYS  12  10.405   0.123   7.626
   86   1HB   LYS  12          1HB       LYS  12   9.288  -2.525   8.387
   87   2HB   LYS  12          2HB       LYS  12  10.599  -1.923   9.404
   88   1HG   LYS  12          1HG       LYS  12   9.402   0.010  10.017
   89   2HG   LYS  12          2HG       LYS  12   8.284  -0.142   8.661
   90   1HD   LYS  12          1HD       LYS  12   6.990  -1.716   9.724
   91   2HD   LYS  12          2HD       LYS  12   8.360  -2.403  10.598
   92   1HE   LYS  12          1HE       LYS  12   8.377  -0.114  11.877
   93   2HE   LYS  12          2HE       LYS  12   6.706   0.016  11.293
   94   1HZ   LYS  12          3HZ       LYS  12   6.329  -2.261  12.127
   95   2HZ   LYS  12          2HZ       LYS  12   7.885  -2.253  12.809
   96   3HZ   LYS  12          1HZ       LYS  12   6.702  -1.168  13.368
   97    H    ARG  13           H        ARG  13  11.353  -3.334   7.071
   98    HA   ARG  13           HA       ARG  13  14.211  -2.415   7.044
   99   1HB   ARG  13          1HB       ARG  13  13.438  -3.932   8.893
  100   2HB   ARG  13          2HB       ARG  13  13.031  -5.141   7.675
  101   1HG   ARG  13          1HG       ARG  13  15.171  -5.846   8.123
  102   2HG   ARG  13          2HG       ARG  13  15.560  -4.617   6.918
  103   1HD   ARG  13          1HD       ARG  13  15.782  -2.951   8.822
  104   2HD   ARG  13          2HD       ARG  13  15.664  -4.328   9.936
  105    HE   ARG  13           HE       ARG  13  17.678  -5.279   8.826
  106   1HH1  ARG  13          1HH1      ARG  13  19.436  -3.610   9.780
  107   2HH1  ARG  13          2HH1      ARG  13  19.881  -2.451   8.572
  108   1HH2  ARG  13          1HH2      ARG  13  17.124  -3.088   6.568
  109   2HH2  ARG  13          2HH2      ARG  13  18.572  -2.156   6.753
  110    H    GLY  14           H        GLY  14  13.976  -1.957   4.655
  111   1HA   GLY  14          2HA       GLY  14  13.541  -4.372   2.973
  112   2HA   GLY  14          1HA       GLY  14  15.084  -3.527   2.836
  113    H    THR  15           H        THR  15  14.134  -3.336   0.479
  114    HA   THR  15           HA       THR  15  12.147  -1.121   0.270
  115    HB   THR  15           HB       THR  15  14.386  -0.109   0.410
  116    HG1  THR  15           HG1      THR  15  14.184   1.094  -1.399
  117   1HG2  THR  15          2HG2      THR  15  15.033  -1.894  -1.954
  118   2HG2  THR  15          1HG2      THR  15  16.086  -0.633  -1.313
  119   3HG2  THR  15          3HG2      THR  15  15.703  -2.047  -0.330
  120    H    ALA  16           H        ALA  16  10.871  -1.286  -1.632
  121    HA   ALA  16           HA       ALA  16  11.702  -3.365  -3.626
  122   1HB   ALA  16          2HB       ALA  16   8.904  -2.822  -2.594
  123   2HB   ALA  16          1HB       ALA  16   9.412  -4.160  -3.624
  124   3HB   ALA  16          3HB       ALA  16   9.952  -4.085  -1.947
  125    H    GLY  17           H        GLY  17  11.142  -2.883  -5.825
  126   1HA   GLY  17          2HA       GLY  17  10.937  -1.332  -7.589
  127   2HA   GLY  17          1HA       GLY  17  10.740  -0.051  -6.393
  128    H    CYS  18           H        CYS  18   8.749   0.917  -6.557
  129    HA   CYS  18           HA       CYS  18   6.266  -0.571  -6.405
  130   1HB   CYS  18          1HB       CYS  18   6.366   1.693  -5.625
  131   2HB   CYS  18          2HB       CYS  18   7.053   2.266  -7.135
  132    H    LYS  19           H        LYS  19   5.238  -1.707  -8.056
  133    HA   LYS  19           HA       LYS  19   6.245  -1.815 -10.757
  134   1HB   LYS  19          1HB       LYS  19   3.747  -2.679  -9.327
  135   2HB   LYS  19          2HB       LYS  19   3.750  -2.720 -11.090
  136   1HG   LYS  19          1HG       LYS  19   5.844  -4.037  -9.334
  137   2HG   LYS  19          2HG       LYS  19   4.487  -4.880 -10.078
  138   1HD   LYS  19          1HD       LYS  19   5.839  -5.205 -11.861
  139   2HD   LYS  19          2HD       LYS  19   5.611  -3.493 -12.211
  140   1HE   LYS  19          1HE       LYS  19   7.933  -3.553 -12.096
  141   2HE   LYS  19          2HE       LYS  19   7.575  -3.268 -10.381
  142   1HZ   LYS  19          3HZ       LYS  19   7.511  -5.667 -10.038
  143   2HZ   LYS  19          2HZ       LYS  19   7.902  -5.927 -11.671
  144   3HZ   LYS  19          1HZ       LYS  19   9.025  -5.185 -10.634
  145    H    LYS  20           H        LYS  20   5.436  -0.751 -12.714
  146    HA   LYS  20           HA       LYS  20   4.598   1.127 -13.898
  147   1HB   LYS  20          1HB       LYS  20   2.452   0.530 -11.829
  148   2HB   LYS  20          2HB       LYS  20   2.233   1.743 -13.093
  149   1HG   LYS  20          1HG       LYS  20   2.202   0.167 -14.797
  150   2HG   LYS  20          2HG       LYS  20   3.164  -0.993 -13.881
  151   1HD   LYS  20          1HD       LYS  20   1.256  -1.418 -12.387
  152   2HD   LYS  20          2HD       LYS  20   0.289  -0.241 -13.277
  153   1HE   LYS  20          1HE       LYS  20   1.569  -2.419 -14.873
  154   2HE   LYS  20          2HE       LYS  20   0.171  -2.851 -13.868
  155   1HZ   LYS  20          2HZ       LYS  20  -0.969  -0.869 -14.795
  156   2HZ   LYS  20          1HZ       LYS  20   0.321  -0.675 -15.884
  157   3HZ   LYS  20          3HZ       LYS  20  -0.647  -2.066 -15.956
  158    H    CYS  21           H        CYS  21   6.597   2.106 -12.500
  159    HA   CYS  21           HA       CYS  21   5.744   4.717 -11.494
  160   1HB   CYS  21          1HB       CYS  21   5.100   3.114  -9.685
  161   2HB   CYS  21          2HB       CYS  21   6.791   2.649  -9.542
  162    H    LYS  22           H        LYS  22   8.440   2.286 -11.260
  163    HA   LYS  22           HA       LYS  22  10.745   2.545 -11.668
  164   1HB   LYS  22          1HB       LYS  22   9.645   4.152 -13.509
  165   2HB   LYS  22          2HB       LYS  22  10.362   5.404 -12.494
  166   1HG   LYS  22          1HG       LYS  22  12.547   4.151 -12.630
  167   2HG   LYS  22          2HG       LYS  22  11.795   3.088 -13.820
  168   1HD   LYS  22          1HD       LYS  22  11.881   6.099 -14.123
  169   2HD   LYS  22          2HD       LYS  22  13.114   5.031 -14.794
  170   1HE   LYS  22          1HE       LYS  22  11.337   3.815 -16.060
  171   2HE   LYS  22          2HE       LYS  22  10.145   4.979 -15.448
  172   1HZ   LYS  22          2HZ       LYS  22  11.486   6.776 -16.362
  173   2HZ   LYS  22          1HZ       LYS  22  12.607   5.655 -16.975
  174   3HZ   LYS  22          3HZ       LYS  22  11.026   5.695 -17.589
  175    H    GLU  23           H        GLU  23   9.656   2.923  -9.101
  176    HA   GLU  23           HA       GLU  23  11.547   4.925  -7.954
  177   1HB   GLU  23          1HB       GLU  23   8.956   5.518  -8.329
  178   2HB   GLU  23          2HB       GLU  23   8.807   4.665  -6.796
  179   1HG   GLU  23          1HG       GLU  23   9.892   6.307  -5.630
  180   2HG   GLU  23          2HG       GLU  23  11.018   6.634  -6.948
  181    H    LYS  24           H        LYS  24  11.034   4.505  -5.247
  182    HA   LYS  24           HA       LYS  24  11.275   1.524  -4.918
  183   1HB   LYS  24          1HB       LYS  24  12.869   3.810  -3.721
  184   2HB   LYS  24          2HB       LYS  24  12.997   2.140  -3.172
  185   1HG   LYS  24          1HG       LYS  24  13.626   1.446  -5.469
  186   2HG   LYS  24          2HG       LYS  24  13.547   3.131  -5.985
  187   1HD   LYS  24          1HD       LYS  24  15.242   3.627  -4.130
  188   2HD   LYS  24          2HD       LYS  24  15.469   1.881  -4.016
  189   1HE   LYS  24          1HE       LYS  24  16.021   1.832  -6.462
  190   2HE   LYS  24          2HE       LYS  24  15.933   3.606  -6.474
  191   1HZ   LYS  24          2HZ       LYS  24  17.564   3.660  -4.684
  192   2HZ   LYS  24          1HZ       LYS  24  17.675   1.964  -4.708
  193   3HZ   LYS  24          3HZ       LYS  24  18.197   2.866  -6.046
  194    H    ILE  25           H        ILE  25  10.586   0.713  -2.814
  195    HA   ILE  25           HA       ILE  25   8.762   2.585  -1.335
  196    HB   ILE  25           HB       ILE  25   8.577  -0.404  -1.866
  197   1HG1  ILE  25          1HG1      ILE  25   6.548   1.561  -2.839
  198   2HG1  ILE  25          2HG1      ILE  25   8.087   1.497  -3.697
  199   1HG2  ILE  25          1HG2      ILE  25   7.473   1.028   0.248
  200   2HG2  ILE  25          3HG2      ILE  25   6.167   0.977  -0.936
  201   3HG2  ILE  25          2HG2      ILE  25   6.895  -0.522  -0.360
  202   1HD1  ILE  25          2HD1      ILE  25   6.606  -1.044  -3.060
  203   2HD1  ILE  25          1HD1      ILE  25   6.153  -0.082  -4.467
  204   3HD1  ILE  25          3HD1      ILE  25   7.785  -0.739  -4.336
  205    H    VAL  26           H        VAL  26  10.050   3.113   0.509
  206    HA   VAL  26           HA       VAL  26  10.619   0.928   2.389
  207    HB   VAL  26           HB       VAL  26  12.472   0.780   0.773
  208   1HG1  VAL  26          3HG1      VAL  26  13.006   3.657   1.573
  209   2HG1  VAL  26          2HG1      VAL  26  14.063   2.669   0.564
  210   3HG1  VAL  26          1HG1      VAL  26  12.454   3.108  -0.011
  211   1HG2  VAL  26          1HG2      VAL  26  12.704   0.715   3.451
  212   2HG2  VAL  26          3HG2      VAL  26  14.090   0.489   2.384
  213   3HG2  VAL  26          2HG2      VAL  26  13.789   2.063   3.119
  214    H    LYS  27           H        LYS  27  10.987   1.713   4.536
  215    HA   LYS  27           HA       LYS  27  10.854   3.257   6.302
  216   1HB   LYS  27          1HB       LYS  27  12.528   4.543   4.165
  217   2HB   LYS  27          2HB       LYS  27  12.162   5.444   5.636
  218   1HG   LYS  27          1HG       LYS  27  12.932   3.279   6.870
  219   2HG   LYS  27          2HG       LYS  27  13.702   2.874   5.335
  220   1HD   LYS  27          1HD       LYS  27  14.117   5.550   6.676
  221   2HD   LYS  27          2HD       LYS  27  15.142   4.157   7.026
  222   1HE   LYS  27          1HE       LYS  27  15.741   3.975   4.638
  223   2HE   LYS  27          2HE       LYS  27  14.700   5.365   4.270
  224   1HZ   LYS  27          3HZ       LYS  27  16.883   5.435   6.280
  225   2HZ   LYS  27          2HZ       LYS  27  17.079   5.949   4.673
  226   3HZ   LYS  27          1HZ       LYS  27  15.982   6.747   5.696
  227    H    GLY  28           H        GLY  28   8.655   3.840   6.573
  228   1HA   GLY  28          2HA       GLY  28   7.901   6.493   5.670
  229   2HA   GLY  28          1HA       GLY  28   6.907   5.408   6.630
  230    H    VAL  29           H        VAL  29   7.551   3.391   4.130
  231    HA   VAL  29           HA       VAL  29   5.348   4.543   2.454
  232    HB   VAL  29           HB       VAL  29   7.764   2.865   1.686
  233   1HG1  VAL  29          2HG1      VAL  29   5.681   2.397   0.356
  234   2HG1  VAL  29          1HG1      VAL  29   5.641   4.102  -0.087
  235   3HG1  VAL  29          3HG1      VAL  29   6.987   3.089  -0.605
  236   1HG2  VAL  29          2HG2      VAL  29   7.116   5.772   1.641
  237   2HG2  VAL  29          1HG2      VAL  29   8.679   4.973   1.808
  238   3HG2  VAL  29          3HG2      VAL  29   7.934   5.127   0.214
  239    H    CYS  30           H        CYS  30   3.574   3.188   2.110
  240    HA   CYS  30           HA       CYS  30   3.751   0.408   3.221
  241   1HB   CYS  30          1HB       CYS  30   2.033   2.371   3.861
  242   2HB   CYS  30          2HB       CYS  30   1.176   1.730   2.459
  243    HG   CYS  30           HG       CYS  30   0.632   0.475   4.854
  244    H    ARG  31           H        ARG  31   3.278  -1.363   1.810
  245    HA   ARG  31           HA       ARG  31   2.704  -0.589  -1.037
  246   1HB   ARG  31          1HB       ARG  31   4.173  -2.473  -1.657
  247   2HB   ARG  31          2HB       ARG  31   5.025  -1.323  -0.630
  248   1HG   ARG  31          1HG       ARG  31   4.856  -2.743   1.275
  249   2HG   ARG  31          2HG       ARG  31   3.646  -3.765   0.501
  250   1HD   ARG  31          1HD       ARG  31   5.479  -5.098   0.079
  251   2HD   ARG  31          2HD       ARG  31   5.688  -3.991  -1.292
  252    HE   ARG  31           HE       ARG  31   7.163  -2.615   0.238
  253   1HH1  ARG  31          1HH1      ARG  31   9.345  -3.834   0.172
  254   2HH1  ARG  31          2HH1      ARG  31   9.509  -4.989   1.453
  255   1HH2  ARG  31          1HH2      ARG  31   6.129  -5.009   2.224
  256   2HH2  ARG  31          2HH2      ARG  31   7.688  -5.653   2.616
  257    H    ILE  32           H        ILE  32   1.189  -1.872  -2.193
  258    HA   ILE  32           HA       ILE  32  -0.375  -3.807  -0.522
  259    HB   ILE  32           HB       ILE  32  -1.217  -2.533  -3.146
  260   1HG1  ILE  32          1HG1      ILE  32  -1.748  -1.420  -0.362
  261   2HG1  ILE  32          2HG1      ILE  32  -0.573  -0.737  -1.484
  262   1HG2  ILE  32          2HG2      ILE  32  -2.433  -4.510  -2.061
  263   2HG2  ILE  32          1HG2      ILE  32  -2.903  -3.383  -0.788
  264   3HG2  ILE  32          3HG2      ILE  32  -3.414  -3.098  -2.452
  265   1HD1  ILE  32          1HD1      ILE  32  -2.597  -0.701  -3.156
  266   2HD1  ILE  32          3HD1      ILE  32  -3.569  -0.785  -1.687
  267   3HD1  ILE  32          2HD1      ILE  32  -2.460   0.562  -1.933
  268    H    GLY  33           H        GLY  33  -0.529  -5.971  -1.238
  269   1HA   GLY  33          2HA       GLY  33   0.679  -7.758  -2.387
  270   2HA   GLY  33          1HA       GLY  33   0.989  -6.637  -3.715
  271    H    LYS  34           H        LYS  34  -0.172  -7.355  -5.498
  272    HA   LYS  34           HA       LYS  34  -3.057  -8.058  -5.049
  273   1HB   LYS  34          1HB       LYS  34  -2.487  -6.019  -6.394
  274   2HB   LYS  34          2HB       LYS  34  -1.624  -7.054  -7.532
  275   1HG   LYS  34          1HG       LYS  34  -3.761  -8.357  -7.848
  276   2HG   LYS  34          2HG       LYS  34  -4.581  -7.134  -6.877
  277   1HD   LYS  34          1HD       LYS  34  -3.611  -5.412  -8.517
  278   2HD   LYS  34          2HD       LYS  34  -3.229  -6.785  -9.556
  279   1HE   LYS  34          1HE       LYS  34  -5.815  -7.369  -8.972
  280   2HE   LYS  34          2HE       LYS  34  -5.873  -5.595  -8.908
  281   1HZ   LYS  34          1HZ       LYS  34  -4.589  -7.138 -11.097
  282   2HZ   LYS  34          3HZ       LYS  34  -6.165  -6.518 -11.183
  283   3HZ   LYS  34          2HZ       LYS  34  -4.844  -5.459 -11.041
  284    H    VAL  35           H        VAL  35  -3.400 -10.284  -5.215
  285    HA   VAL  35           HA       VAL  35  -1.496 -11.876  -6.890
  286    HB   VAL  35           HB       VAL  35  -3.608 -12.700  -4.861
  287   1HG1  VAL  35          1HG1      VAL  35  -3.005 -14.414  -6.612
  288   2HG1  VAL  35          3HG1      VAL  35  -1.336 -14.320  -6.048
  289   3HG1  VAL  35          2HG1      VAL  35  -2.601 -14.898  -4.965
  290   1HG2  VAL  35          3HG2      VAL  35  -1.706 -11.388  -3.916
  291   2HG2  VAL  35          2HG2      VAL  35  -1.712 -13.058  -3.352
  292   3HG2  VAL  35          1HG2      VAL  35  -0.585 -12.557  -4.613
  293    H    VAL  36           H        VAL  36  -2.224 -11.988  -9.033
  294    HA   VAL  36           HA       VAL  36  -5.140 -12.563  -9.450
  295    HB   VAL  36           HB       VAL  36  -3.128 -11.081 -11.179
  296   1HG1  VAL  36          1HG1      VAL  36  -6.090 -11.625 -11.548
  297   2HG1  VAL  36          3HG1      VAL  36  -5.154 -10.498 -12.530
  298   3HG1  VAL  36          2HG1      VAL  36  -4.778 -12.221 -12.564
  299   1HG2  VAL  36          3HG2      VAL  36  -4.014  -9.972  -9.034
  300   2HG2  VAL  36          2HG2      VAL  36  -4.254  -9.081 -10.537
  301   3HG2  VAL  36          1HG2      VAL  36  -5.594  -9.976  -9.818
  302    HA   PRO  37           HA       PRO  37  -3.300 -16.315 -11.126
  303   1HB   PRO  37          1HB       PRO  37  -5.624 -17.541 -11.892
  304   2HB   PRO  37          2HB       PRO  37  -5.062 -17.502 -10.209
  305   1HG   PRO  37          1HG       PRO  37  -7.137 -15.847 -11.551
  306   2HG   PRO  37          2HG       PRO  37  -7.112 -16.519  -9.913
  307   1HD   PRO  37          1HD       PRO  37  -6.551 -13.909 -10.489
  308   2HD   PRO  37          2HD       PRO  37  -5.909 -14.768  -9.073
  309    H    ASN  38           H        ASN  38  -2.689 -16.894 -13.274
  310    HA   ASN  38           HA       ASN  38  -3.870 -15.198 -15.445
  311   1HB   ASN  38          1HB       ASN  38  -1.231 -16.492 -14.871
  312   2HB   ASN  38          2HB       ASN  38  -1.677 -16.249 -16.561
  313   1HD2  ASN  38          2HD2      ASN  38   0.040 -14.544 -16.755
  314   2HD2  ASN  38          1HD2      ASN  38  -0.221 -13.009 -16.080
  315    HA   PRO  39           HA       PRO  39  -5.710 -18.776 -17.254
  316   1HB   PRO  39          1HB       PRO  39  -5.716 -18.095 -19.904
  317   2HB   PRO  39          2HB       PRO  39  -6.812 -17.361 -18.716
  318   1HG   PRO  39          1HG       PRO  39  -4.308 -16.283 -19.899
  319   2HG   PRO  39          2HG       PRO  39  -5.809 -15.448 -19.474
  320   1HD   PRO  39          1HD       PRO  39  -3.532 -15.383 -17.952
  321   2HD   PRO  39          2HD       PRO  39  -5.170 -15.135 -17.307
  322    H    PHE  40           H        PHE  40  -3.436 -19.835 -16.619
  323    HA   PHE  40           HA       PHE  40  -2.382 -21.116 -19.080
  324   1HB   PHE  40          1HB       PHE  40  -1.065 -19.041 -18.731
  325   2HB   PHE  40          2HB       PHE  40  -0.665 -19.580 -17.100
  326    HD1  PHE  40           HD1      PHE  40   0.182 -19.793 -20.602
  327    HD2  PHE  40           HD2      PHE  40   0.594 -21.781 -16.818
  328    HE1  PHE  40           HE1      PHE  40   2.087 -21.105 -21.498
  329    HE2  PHE  40           HE2      PHE  40   2.496 -23.093 -17.712
  330    HZ   PHE  40           HZ       PHE  40   3.244 -22.755 -20.053
  331    H    SER  41           H        SER  41  -1.575 -20.802 -15.557
  332    HA   SER  41           HA       SER  41  -1.471 -23.800 -15.439
  333   1HB   SER  41          1HB       SER  41   0.434 -21.915 -14.835
  334   2HB   SER  41          2HB       SER  41  -0.301 -22.182 -13.258
  335    HG   SER  41           HG       SER  41   0.211 -24.317 -13.387
  336    H    GLU  42           H        GLU  42  -2.397 -24.803 -13.459
  337    HA   GLU  42           HA       GLU  42  -4.668 -23.186 -12.365
  338   1HB   GLU  42          1HB       GLU  42  -4.084 -26.057 -12.912
  339   2HB   GLU  42          2HB       GLU  42  -5.118 -25.718 -11.524
  340   1HG   GLU  42          1HG       GLU  42  -6.660 -25.876 -13.288
  341   2HG   GLU  42          2HG       GLU  42  -6.391 -24.137 -13.162
  342    H    SER  43           H        SER  43  -2.069 -25.431 -11.227
  343    HA   SER  43           HA       SER  43  -2.550 -24.575  -8.422
  344   1HB   SER  43          1HB       SER  43  -0.756 -26.273  -7.973
  345   2HB   SER  43          2HB       SER  43  -2.099 -26.929  -8.903
  346    HG   SER  43           HG       SER  43  -0.331 -27.537 -10.017
  347    H    GLY  44           H        GLY  44   0.018 -24.261 -10.922
  348   1HA   GLY  44          2HA       GLY  44   2.200 -23.223 -10.373
  349   2HA   GLY  44          1HA       GLY  44   1.376 -22.296  -9.118
  350    H    GLY  45           H        GLY  45  -0.570 -20.908 -10.105
  351   1HA   GLY  45          2HA       GLY  45  -1.069 -20.003 -12.549
  352   2HA   GLY  45          1HA       GLY  45   0.593 -19.430 -12.409
  353    H    ASP  46           H        ASP  46   1.023 -18.032 -10.364
  354    HA   ASP  46           HA       ASP  46  -1.261 -16.138 -10.052
  355   1HB   ASP  46          1HB       ASP  46   0.163 -17.723  -7.907
  356   2HB   ASP  46          2HB       ASP  46  -0.670 -16.215  -7.529
  357    H    MET  47           H        MET  47  -0.504 -13.990 -10.028
  358    HA   MET  47           HA       MET  47   2.460 -13.610  -9.724
  359   1HB   MET  47          1HB       MET  47   0.350 -12.260 -11.429
  360   2HB   MET  47          2HB       MET  47   1.984 -11.621 -11.246
  361   1HG   MET  47          1HG       MET  47   2.655 -14.116 -11.876
  362   2HG   MET  47          2HG       MET  47   1.064 -14.104 -12.638
  363   1HE   MET  47          2HE       MET  47   4.419 -13.329 -12.395
  364   2HE   MET  47          1HE       MET  47   4.654 -13.641 -14.113
  365   3HE   MET  47          3HE       MET  47   4.881 -12.010 -13.468
  366    H    LYS  48           H        LYS  48   3.147 -11.945  -8.289
  367    HA   LYS  48           HA       LYS  48   0.983 -10.335  -6.972
  368   1HB   LYS  48          1HB       LYS  48   1.805 -12.321  -5.656
  369   2HB   LYS  48          2HB       LYS  48   3.413 -11.599  -5.668
  370   1HG   LYS  48          1HG       LYS  48   2.029  -9.480  -4.775
  371   2HG   LYS  48          2HG       LYS  48   0.971 -10.761  -4.180
  372   1HD   LYS  48          1HD       LYS  48   3.961 -10.663  -3.690
  373   2HD   LYS  48          2HD       LYS  48   2.750 -10.101  -2.538
  374   1HE   LYS  48          1HE       LYS  48   2.330 -12.842  -3.620
  375   2HE   LYS  48          2HE       LYS  48   3.698 -12.635  -2.507
  376   1HZ   LYS  48          1HZ       LYS  48   2.150 -11.369  -1.045
  377   2HZ   LYS  48          3HZ       LYS  48   0.870 -11.857  -2.044
  378   3HZ   LYS  48          2HZ       LYS  48   1.769 -13.018  -1.189
  379    H    GLU  49           H        GLU  49   1.443  -8.121  -7.073
  380    HA   GLU  49           HA       GLU  49   4.319  -7.331  -7.441
  381   1HB   GLU  49          1HB       GLU  49   1.749  -6.495  -8.771
  382   2HB   GLU  49          2HB       GLU  49   3.112  -5.377  -8.718
  383   1HG   GLU  49          1HG       GLU  49   4.521  -6.881  -9.921
  384   2HG   GLU  49          2HG       GLU  49   3.393  -8.221  -9.705
  385    H    TRP  50           H        TRP  50   4.911  -5.271  -6.402
  386    HA   TRP  50           HA       TRP  50   3.050  -4.536  -4.168
  387   1HB   TRP  50          1HB       TRP  50   6.040  -4.293  -4.605
  388   2HB   TRP  50          2HB       TRP  50   5.213  -3.548  -3.237
  389    HD1  TRP  50           HD1      TRP  50   7.037  -6.534  -4.009
  390    HE1  TRP  50           HE1      TRP  50   6.421  -8.487  -2.444
  391    HE3  TRP  50           HE3      TRP  50   2.703  -4.721  -1.988
  392    HZ2  TRP  50           HZ2      TRP  50   4.369  -9.188  -0.582
  393    HZ3  TRP  50           HZ3      TRP  50   1.445  -6.053  -0.321
  394    HH2  TRP  50           HH2      TRP  50   2.271  -8.282   0.383
  395    H    TYR  51           H        TYR  51   2.087  -2.508  -4.233
  396    HA   TYR  51           HA       TYR  51   3.108  -0.558  -6.271
  397   1HB   TYR  51          1HB       TYR  51   0.382  -0.971  -5.007
  398   2HB   TYR  51          2HB       TYR  51   0.765   0.301  -6.165
  399    HD1  TYR  51           HD1      TYR  51   1.027  -0.159  -8.511
  400    HD2  TYR  51           HD2      TYR  51   0.442  -3.350  -5.689
  401    HE1  TYR  51           HE1      TYR  51   0.575  -1.728 -10.373
  402    HE2  TYR  51           HE2      TYR  51   0.001  -4.922  -7.548
  403    HH   TYR  51           HH       TYR  51   0.841  -4.737 -10.348
  404    H    HIS  52           H        HIS  52   2.363   1.798  -5.602
  405    HA   HIS  52           HA       HIS  52   3.439   2.326  -2.859
  406   1HB   HIS  52          1HB       HIS  52   3.267   3.685  -5.466
  407   2HB   HIS  52          2HB       HIS  52   2.918   4.753  -4.114
  408    HD2  HIS  52           HD2      HIS  52   5.174   3.747  -1.964
  409    HE1  HIS  52           HE1      HIS  52   7.993   4.166  -5.098
  410    HE2  HIS  52           HE2      HIS  52   7.676   3.958  -2.609
  411    H    ILE  53           H        ILE  53   2.115   4.640  -2.116
  412    HA   ILE  53           HA       ILE  53  -0.651   3.649  -1.653
  413    HB   ILE  53           HB       ILE  53   0.884   6.070  -0.630
  414   1HG1  ILE  53          1HG1      ILE  53   1.778   3.877   0.108
  415   2HG1  ILE  53          2HG1      ILE  53   1.057   4.760   1.451
  416   1HG2  ILE  53          3HG2      ILE  53  -1.934   5.479  -0.549
  417   2HG2  ILE  53          2HG2      ILE  53  -1.283   5.341   1.085
  418   3HG2  ILE  53          1HG2      ILE  53  -1.073   6.837   0.178
  419   1HD1  ILE  53          1HD1      ILE  53  -1.044   3.257   0.297
  420   2HD1  ILE  53          3HD1      ILE  53   0.338   2.165   0.401
  421   3HD1  ILE  53          2HD1      ILE  53  -0.258   2.974   1.850
  422    H    LYS  54           H        LYS  54   0.989   6.490  -3.137
  423    HA   LYS  54           HA       LYS  54  -1.611   7.495  -4.130
  424   1HB   LYS  54          1HB       LYS  54  -0.282   9.373  -4.973
  425   2HB   LYS  54          2HB       LYS  54   0.182   9.018  -3.312
  426   1HG   LYS  54          1HG       LYS  54   2.301   8.488  -3.906
  427   2HG   LYS  54          2HG       LYS  54   1.760   7.493  -5.256
  428   1HD   LYS  54          1HD       LYS  54   2.859   9.209  -6.382
  429   2HD   LYS  54          2HD       LYS  54   1.206   9.822  -6.364
  430   1HE   LYS  54          1HE       LYS  54   2.858  10.502  -3.985
  431   2HE   LYS  54          2HE       LYS  54   3.300  11.305  -5.506
  432   1HZ   LYS  54          3HZ       LYS  54   0.979  11.902  -5.827
  433   2HZ   LYS  54          2HZ       LYS  54   0.559  11.151  -4.362
  434   3HZ   LYS  54          1HZ       LYS  54   1.550  12.530  -4.360
  435    H    CYS  55           H        CYS  55   0.996   5.471  -5.390
  436    HA   CYS  55           HA       CYS  55   0.368   5.970  -8.202
  437   1HB   CYS  55          1HB       CYS  55   1.786   3.625  -6.884
  438   2HB   CYS  55          2HB       CYS  55   1.857   4.040  -8.595
  439    H    MET  56           H        MET  56  -0.486   3.387  -5.865
  440    HA   MET  56           HA       MET  56  -2.104   1.923  -7.815
  441   1HB   MET  56          1HB       MET  56  -1.016   0.997  -5.699
  442   2HB   MET  56          2HB       MET  56  -2.277   1.822  -4.785
  443   1HG   MET  56          1HG       MET  56  -2.999  -0.459  -5.142
  444   2HG   MET  56          2HG       MET  56  -3.983   0.586  -6.167
  445   1HE   MET  56          3HE       MET  56  -4.599  -0.061  -8.261
  446   2HE   MET  56          2HE       MET  56  -3.967  -1.443  -9.152
  447   3HE   MET  56          1HE       MET  56  -4.631  -1.675  -7.537
  448    H    PHE  57           H        PHE  57  -2.818   4.327  -5.250
  449    HA   PHE  57           HA       PHE  57  -5.707   4.178  -5.678
  450   1HB   PHE  57          1HB       PHE  57  -3.799   5.874  -4.124
  451   2HB   PHE  57          2HB       PHE  57  -5.395   6.549  -4.452
  452    HD1  PHE  57           HD1      PHE  57  -7.452   5.348  -3.681
  453    HD2  PHE  57           HD2      PHE  57  -3.516   4.021  -2.598
  454    HE1  PHE  57           HE1      PHE  57  -8.412   3.954  -1.873
  455    HE2  PHE  57           HE2      PHE  57  -4.470   2.638  -0.792
  456    HZ   PHE  57           HZ       PHE  57  -6.923   2.600  -0.428
  457    H    GLU  58           H        GLU  58  -3.059   6.100  -7.110
  458    HA   GLU  58           HA       GLU  58  -4.781   8.061  -8.384
  459   1HB   GLU  58          1HB       GLU  58  -2.360   8.404  -8.094
  460   2HB   GLU  58          2HB       GLU  58  -2.023   7.021  -9.136
  461   1HG   GLU  58          1HG       GLU  58  -3.280   8.224 -10.975
  462   2HG   GLU  58          2HG       GLU  58  -3.330   9.639  -9.923
  463    H    LYS  59           H        LYS  59  -3.597   4.820  -9.367
  464    HA   LYS  59           HA       LYS  59  -4.484   4.882 -12.092
  465   1HB   LYS  59          1HB       LYS  59  -4.248   2.656 -10.047
  466   2HB   LYS  59          2HB       LYS  59  -4.667   2.346 -11.732
  467   1HG   LYS  59          1HG       LYS  59  -2.247   4.005 -11.076
  468   2HG   LYS  59          2HG       LYS  59  -2.150   2.245 -11.008
  469   1HD   LYS  59          1HD       LYS  59  -3.381   2.497 -13.384
  470   2HD   LYS  59          2HD       LYS  59  -2.511   4.033 -13.362
  471   1HE   LYS  59          1HE       LYS  59  -0.532   2.362 -12.524
  472   2HE   LYS  59          2HE       LYS  59  -1.445   1.273 -13.590
  473   1HZ   LYS  59          1HZ       LYS  59  -1.474   3.092 -15.250
  474   2HZ   LYS  59          3HZ       LYS  59  -0.429   3.985 -14.258
  475   3HZ   LYS  59          2HZ       LYS  59   0.088   2.512 -14.926
  476    H    LEU  60           H        LEU  60  -6.278   4.127  -9.089
  477    HA   LEU  60           HA       LEU  60  -8.737   3.318 -10.403
  478   1HB   LEU  60          1HB       LEU  60  -7.898   4.208  -7.656
  479   2HB   LEU  60          2HB       LEU  60  -9.622   4.152  -8.022
  480    HG   LEU  60           HG       LEU  60  -9.370   1.788  -8.748
  481   1HD1  LEU  60          2HD1      LEU  60  -6.530   2.150  -7.741
  482   2HD1  LEU  60          1HD1      LEU  60  -7.251   0.614  -8.218
  483   3HD1  LEU  60          3HD1      LEU  60  -7.002   1.882  -9.418
  484   1HD2  LEU  60          3HD2      LEU  60  -8.656   2.718  -5.990
  485   2HD2  LEU  60          2HD2      LEU  60 -10.088   1.848  -6.542
  486   3HD2  LEU  60          1HD2      LEU  60  -8.560   0.991  -6.341
  487    H    GLU  61           H        GLU  61  -7.564   6.482  -9.161
  488    HA   GLU  61           HA       GLU  61 -10.003   7.932  -9.747
  489   1HB   GLU  61          1HB       GLU  61  -7.786   8.501  -8.358
  490   2HB   GLU  61          2HB       GLU  61  -7.336   9.283  -9.874
  491   1HG   GLU  61          1HG       GLU  61  -9.655  10.395  -9.791
  492   2HG   GLU  61          2HG       GLU  61  -9.720   9.861  -8.111
  493    H    ARG  62           H        ARG  62  -7.130   7.164 -11.729
  494    HA   ARG  62           HA       ARG  62  -8.078   8.892 -13.941
  495   1HB   ARG  62          1HB       ARG  62  -5.655   8.548 -13.353
  496   2HB   ARG  62          2HB       ARG  62  -5.816   6.865 -13.854
  497   1HG   ARG  62          1HG       ARG  62  -5.952   7.395 -16.087
  498   2HG   ARG  62          2HG       ARG  62  -6.746   8.940 -15.779
  499   1HD   ARG  62          1HD       ARG  62  -4.603   9.885 -14.969
  500   2HD   ARG  62          2HD       ARG  62  -3.802   8.337 -15.308
  501    HE   ARG  62           HE       ARG  62  -3.893   8.862 -17.612
  502   1HH1  ARG  62          1HH1      ARG  62  -4.444  11.711 -16.260
  503   2HH1  ARG  62          2HH1      ARG  62  -5.629  12.298 -17.378
  504   1HH2  ARG  62          1HH2      ARG  62  -6.143   9.208 -18.865
  505   2HH2  ARG  62          2HH2      ARG  62  -6.591  10.881 -18.853
  506    H    ALA  63           H        ALA  63  -7.968   5.382 -13.169
  507    HA   ALA  63           HA       ALA  63  -9.482   4.876 -15.712
  508   1HB   ALA  63          2HB       ALA  63  -7.695   3.151 -13.970
  509   2HB   ALA  63          3HB       ALA  63  -7.350   3.728 -15.600
  510   3HB   ALA  63          1HB       ALA  63  -8.615   2.526 -15.340
  511    H    ARG  64           H        ARG  64 -11.641   4.268 -15.445
  512    HA   ARG  64           HA       ARG  64 -12.484   3.397 -12.698
  513   1HB   ARG  64          1HB       ARG  64 -13.704   5.026 -14.908
  514   2HB   ARG  64          2HB       ARG  64 -14.768   4.180 -13.784
  515   1HG   ARG  64          1HG       ARG  64 -13.645   5.277 -11.883
  516   2HG   ARG  64          2HG       ARG  64 -12.576   6.124 -13.001
  517   1HD   ARG  64          1HD       ARG  64 -14.980   6.802 -14.069
  518   2HD   ARG  64          2HD       ARG  64 -15.425   6.658 -12.355
  519    HE   ARG  64           HE       ARG  64 -13.717   8.323 -11.822
  520   1HH1  ARG  64          1HH1      ARG  64 -15.123  10.023 -13.638
  521   2HH1  ARG  64          2HH1      ARG  64 -13.956  10.442 -14.846
  522   1HH2  ARG  64          1HH2      ARG  64 -11.800   7.847 -14.044
  523   2HH2  ARG  64          2HH2      ARG  64 -12.074   9.211 -15.076
  524    H    ALA  65           H        ALA  65 -12.372   1.109 -12.861
  525    HA   ALA  65           HA       ALA  65 -13.475  -0.222 -15.278
  526   1HB   ALA  65          2HB       ALA  65 -12.143  -1.219 -12.745
  527   2HB   ALA  65          3HB       ALA  65 -11.413  -1.076 -14.343
  528   3HB   ALA  65          1HB       ALA  65 -12.671  -2.278 -14.053
  529    H    THR  66           H        THR  66 -15.006   1.062 -12.575
  530    HA   THR  66           HA       THR  66 -17.057   0.604 -11.525
  531    HB   THR  66           HB       THR  66 -17.473  -1.260 -13.878
  532    HG1  THR  66           HG1      THR  66 -17.950   0.523 -15.076
  533   1HG2  THR  66          3HG2      THR  66 -19.229   0.316 -12.012
  534   2HG2  THR  66          2HG2      THR  66 -19.806  -0.119 -13.622
  535   3HG2  THR  66          1HG2      THR  66 -19.349  -1.382 -12.477
  536    H    THR  67           H        THR  67 -14.737  -1.074 -10.754
  537    HA   THR  67           HA       THR  67 -16.137  -3.648 -10.108
  538    HB   THR  67           HB       THR  67 -13.177  -3.005 -10.335
  539    HG1  THR  67           HG1      THR  67 -13.976  -2.973 -12.360
  540   1HG2  THR  67          3HG2      THR  67 -14.744  -5.526  -9.802
  541   2HG2  THR  67          2HG2      THR  67 -13.112  -5.582 -10.466
  542   3HG2  THR  67          1HG2      THR  67 -13.396  -4.860  -8.883
  543    H    LYS  68           H        LYS  68 -15.558  -4.539  -7.898
  544    HA   LYS  68           HA       LYS  68 -15.262  -2.302  -5.936
  545   1HB   LYS  68          1HB       LYS  68 -17.023  -4.366  -6.095
  546   2HB   LYS  68          2HB       LYS  68 -15.793  -5.095  -5.061
  547   1HG   LYS  68          1HG       LYS  68 -17.316  -4.012  -3.576
  548   2HG   LYS  68          2HG       LYS  68 -15.904  -2.959  -3.660
  549   1HD   LYS  68          1HD       LYS  68 -17.677  -1.452  -3.957
  550   2HD   LYS  68          2HD       LYS  68 -17.191  -1.801  -5.616
  551   1HE   LYS  68          1HE       LYS  68 -18.989  -3.445  -5.845
  552   2HE   LYS  68          2HE       LYS  68 -19.444  -3.218  -4.145
  553   1HZ   LYS  68          1HZ       LYS  68 -19.727  -0.826  -4.636
  554   2HZ   LYS  68          3HZ       LYS  68 -19.462  -1.151  -6.280
  555   3HZ   LYS  68          2HZ       LYS  68 -20.817  -1.807  -5.494
  556    H    LYS  69           H        LYS  69 -12.948  -1.971  -5.918
  557    HA   LYS  69           HA       LYS  69 -11.355  -4.324  -4.944
  558   1HB   LYS  69          1HB       LYS  69 -10.868  -2.169  -6.979
  559   2HB   LYS  69          2HB       LYS  69  -9.489  -2.866  -6.128
  560   1HG   LYS  69          1HG       LYS  69  -9.838  -4.991  -7.024
  561   2HG   LYS  69          2HG       LYS  69 -11.545  -4.686  -7.343
  562   1HD   LYS  69          1HD       LYS  69 -10.562  -4.591  -9.485
  563   2HD   LYS  69          2HD       LYS  69 -10.696  -2.895  -9.016
  564   1HE   LYS  69          1HE       LYS  69  -8.381  -2.734  -8.503
  565   2HE   LYS  69          2HE       LYS  69  -8.187  -4.498  -8.461
  566   1HZ   LYS  69          1HZ       LYS  69  -8.908  -4.516 -10.825
  567   2HZ   LYS  69          3HZ       LYS  69  -8.825  -2.822 -10.828
  568   3HZ   LYS  69          2HZ       LYS  69  -7.418  -3.739 -10.573
  569    H    ILE  70           H        ILE  70 -10.214  -3.951  -3.009
  570    HA   ILE  70           HA       ILE  70  -9.528  -2.814  -1.060
  571    HB   ILE  70           HB       ILE  70  -9.127  -0.638  -3.145
  572   1HG1  ILE  70          1HG1      ILE  70  -7.200  -2.752  -2.119
  573   2HG1  ILE  70          2HG1      ILE  70  -8.044  -2.840  -3.666
  574   1HG2  ILE  70          2HG2      ILE  70  -8.391  -0.921  -0.276
  575   2HG2  ILE  70          1HG2      ILE  70  -7.131  -0.305  -1.346
  576   3HG2  ILE  70          3HG2      ILE  70  -8.676   0.537  -1.226
  577   1HD1  ILE  70          1HD1      ILE  70  -6.399  -0.418  -2.954
  578   2HD1  ILE  70          3HD1      ILE  70  -5.634  -1.856  -3.634
  579   3HD1  ILE  70          2HD1      ILE  70  -6.874  -0.999  -4.550
  580    H    GLU  71           H        GLU  71 -11.568  -2.644   0.082
  581    HA   GLU  71           HA       GLU  71 -13.053  -0.069  -0.349
  582   1HB   GLU  71          1HB       GLU  71 -13.792  -2.895   0.134
  583   2HB   GLU  71          2HB       GLU  71 -14.720  -1.722   1.069
  584   1HG   GLU  71          1HG       GLU  71 -14.802  -0.486  -1.310
  585   2HG   GLU  71          2HG       GLU  71 -14.624  -2.146  -1.881
  586    H    ASP  72           H        ASP  72 -13.181   1.338   1.438
  587    HA   ASP  72           HA       ASP  72 -12.713   2.185   3.590
  588   1HB   ASP  72          1HB       ASP  72 -14.349  -0.001   3.754
  589   2HB   ASP  72          2HB       ASP  72 -13.027  -0.497   4.811
  590    H    LEU  73           H        LEU  73 -11.426   1.069   5.832
  591    HA   LEU  73           HA       LEU  73  -8.687   0.572   4.723
  592   1HB   LEU  73          1HB       LEU  73  -8.999   2.547   6.143
  593   2HB   LEU  73          2HB       LEU  73  -9.683   1.547   7.424
  594    HG   LEU  73           HG       LEU  73  -6.993   0.767   6.412
  595   1HD1  LEU  73          1HD1      LEU  73  -6.999   3.309   6.635
  596   2HD1  LEU  73          3HD1      LEU  73  -7.322   3.067   8.352
  597   3HD1  LEU  73          2HD1      LEU  73  -5.827   2.459   7.643
  598   1HD2  LEU  73          1HD2      LEU  73  -8.592  -0.091   8.429
  599   2HD2  LEU  73          3HD2      LEU  73  -6.834  -0.220   8.477
  600   3HD2  LEU  73          2HD2      LEU  73  -7.644   1.118   9.293
  601    H    THR  74           H        THR  74 -10.867  -0.589   7.374
  602    HA   THR  74           HA       THR  74  -9.120  -2.895   7.920
  603    HB   THR  74           HB       THR  74 -11.600  -3.410   9.078
  604    HG1  THR  74           HG1      THR  74 -12.447  -1.486   9.661
  605   1HG2  THR  74          3HG2      THR  74  -9.075  -2.066   9.932
  606   2HG2  THR  74          2HG2      THR  74 -10.456  -1.996  11.027
  607   3HG2  THR  74          1HG2      THR  74  -9.807  -3.558  10.523
  608    H    GLU  75           H        GLU  75  -9.239  -3.478   5.448
  609    HA   GLU  75           HA       GLU  75 -11.373  -5.540   5.126
  610   1HB   GLU  75          1HB       GLU  75 -11.604  -3.077   4.003
  611   2HB   GLU  75          2HB       GLU  75 -10.687  -3.901   2.743
  612   1HG   GLU  75          1HG       GLU  75 -12.432  -5.247   2.171
  613   2HG   GLU  75          2HG       GLU  75 -12.931  -5.476   3.847
  614    H    LEU  76           H        LEU  76  -8.587  -4.089   3.311
  615    HA   LEU  76           HA       LEU  76  -7.806  -6.563   2.056
  616   1HB   LEU  76          1HB       LEU  76  -6.241  -4.052   2.757
  617   2HB   LEU  76          2HB       LEU  76  -5.620  -5.333   1.717
  618    HG   LEU  76           HG       LEU  76  -8.180  -3.790   1.203
  619   1HD1  LEU  76          2HD1      LEU  76  -5.724  -2.719   0.985
  620   2HD1  LEU  76          1HD1      LEU  76  -5.785  -3.569  -0.559
  621   3HD1  LEU  76          3HD1      LEU  76  -7.008  -2.361  -0.168
  622   1HD2  LEU  76          3HD2      LEU  76  -6.713  -6.016  -0.188
  623   2HD2  LEU  76          2HD2      LEU  76  -8.444  -5.832   0.094
  624   3HD2  LEU  76          1HD2      LEU  76  -7.644  -4.862  -1.144
  625    H    GLU  77           H        GLU  77  -6.071  -8.049   2.645
  626    HA   GLU  77           HA       GLU  77  -5.810  -8.449   5.553
  627   1HB   GLU  77          1HB       GLU  77  -6.062 -10.302   3.898
  628   2HB   GLU  77          2HB       GLU  77  -4.496  -9.870   3.207
  629   1HG   GLU  77          1HG       GLU  77  -3.386 -10.349   5.331
  630   2HG   GLU  77          2HG       GLU  77  -4.939 -10.681   6.098
  631    H    GLY  78           H        GLY  78  -4.112  -7.671   6.827
  632   1HA   GLY  78          2HA       GLY  78  -1.843  -6.384   5.413
  633   2HA   GLY  78          1HA       GLY  78  -1.474  -7.642   6.585
  634    H    TRP  79           H        TRP  79  -3.893  -4.952   6.687
  635    HA   TRP  79           HA       TRP  79  -2.510  -3.214   8.435
  636   1HB   TRP  79          1HB       TRP  79  -4.755  -2.387   9.079
  637   2HB   TRP  79          2HB       TRP  79  -4.658  -2.684   7.346
  638    HD1  TRP  79           HD1      TRP  79  -6.326  -4.347   6.329
  639    HE1  TRP  79           HE1      TRP  79  -8.164  -5.883   7.277
  640    HE3  TRP  79           HE3      TRP  79  -5.356  -3.903  11.321
  641    HZ2  TRP  79           HZ2      TRP  79  -9.104  -6.800   9.819
  642    HZ3  TRP  79           HZ3      TRP  79  -6.739  -5.115  12.984
  643    HH2  TRP  79           HH2      TRP  79  -8.610  -6.561  12.238
  644    H    GLU  80           H        GLU  80  -4.174  -6.251   9.282
  645    HA   GLU  80           HA       GLU  80  -4.427  -5.941  12.088
  646   1HB   GLU  80          1HB       GLU  80  -5.149  -7.886  10.609
  647   2HB   GLU  80          2HB       GLU  80  -3.483  -8.461  10.690
  648   1HG   GLU  80          1HG       GLU  80  -4.571  -9.614  12.446
  649   2HG   GLU  80          2HG       GLU  80  -3.747  -8.281  13.255
  650    H    GLU  81           H        GLU  81  -1.427  -6.458  10.207
  651    HA   GLU  81           HA       GLU  81   0.063  -6.698  12.799
  652   1HB   GLU  81          1HB       GLU  81   0.575  -7.592   9.961
  653   2HB   GLU  81          2HB       GLU  81   1.862  -7.568  11.166
  654   1HG   GLU  81          1HG       GLU  81  -0.755  -8.900  11.809
  655   2HG   GLU  81          2HG       GLU  81   0.453  -9.756  10.849
  656    H    LEU  82           H        LEU  82  -0.820  -4.054  11.406
  657    HA   LEU  82           HA       LEU  82   1.907  -2.941  10.875
  658   1HB   LEU  82          1HB       LEU  82  -0.844  -1.828  10.214
  659   2HB   LEU  82          2HB       LEU  82   0.694  -1.199   9.642
  660    HG   LEU  82           HG       LEU  82  -0.576  -3.859   8.937
  661   1HD1  LEU  82          3HD1      LEU  82  -1.017  -1.453   7.817
  662   2HD1  LEU  82          2HD1      LEU  82   0.431  -1.914   6.922
  663   3HD1  LEU  82          1HD1      LEU  82  -1.000  -2.944   6.877
  664   1HD2  LEU  82          3HD2      LEU  82   2.251  -3.028   8.907
  665   2HD2  LEU  82          2HD2      LEU  82   1.557  -4.640   8.756
  666   3HD2  LEU  82          1HD2      LEU  82   1.676  -3.599   7.340
  667    H    GLU  83           H        GLU  83   1.327  -0.209  11.420
  668    HA   GLU  83           HA       GLU  83   1.136  -0.306  14.395
  669   1HB   GLU  83          1HB       GLU  83   2.250   1.542  12.315
  670   2HB   GLU  83          2HB       GLU  83   1.818   2.224  13.883
  671   1HG   GLU  83          1HG       GLU  83   4.133   1.545  13.997
  672   2HG   GLU  83          2HG       GLU  83   3.195   0.405  14.961
  673    H    ASP  84           H        ASP  84  -0.189   1.410  15.520
  674    HA   ASP  84           HA       ASP  84  -2.867   1.592  14.338
  675   1HB   ASP  84          1HB       ASP  84  -1.530   2.430  16.893
  676   2HB   ASP  84          2HB       ASP  84  -3.113   3.101  16.502
  677    H    ASN  85           H        ASN  85  -0.343   4.011  15.187
  678    HA   ASN  85           HA       ASN  85  -1.762   6.313  14.211
  679   1HB   ASN  85          1HB       ASN  85   1.106   5.585  14.719
  680   2HB   ASN  85          2HB       ASN  85   0.770   7.074  13.833
  681   1HD2  ASN  85          2HD2      ASN  85  -0.350   8.831  14.997
  682   2HD2  ASN  85          1HD2      ASN  85  -0.526   8.784  16.685
  683    H    GLU  86           H        GLU  86   0.456   4.049  12.540
  684    HA   GLU  86           HA       GLU  86   0.529   5.393  10.005
  685   1HB   GLU  86          1HB       GLU  86   0.952   2.607  11.007
  686   2HB   GLU  86          2HB       GLU  86   0.754   2.815   9.268
  687   1HG   GLU  86          1HG       GLU  86   2.540   4.586   9.346
  688   2HG   GLU  86          2HG       GLU  86   2.809   4.166  11.039
  689    H    LYS  87           H        LYS  87  -1.812   3.028  11.331
  690    HA   LYS  87           HA       LYS  87  -3.396   2.620   8.993
  691   1HB   LYS  87          1HB       LYS  87  -3.499   1.596  11.413
  692   2HB   LYS  87          2HB       LYS  87  -4.625   2.916  11.729
  693   1HG   LYS  87          1HG       LYS  87  -6.258   2.024  10.401
  694   2HG   LYS  87          2HG       LYS  87  -5.101   1.391   9.229
  695   1HD   LYS  87          1HD       LYS  87  -5.964  -0.553  10.245
  696   2HD   LYS  87          2HD       LYS  87  -4.446  -0.284  11.101
  697   1HE   LYS  87          1HE       LYS  87  -5.780  -0.476  12.964
  698   2HE   LYS  87          2HE       LYS  87  -6.165   1.221  12.615
  699   1HZ   LYS  87          1HZ       LYS  87  -7.599  -1.070  11.388
  700   2HZ   LYS  87          3HZ       LYS  87  -8.146  -0.274  12.782
  701   3HZ   LYS  87          2HZ       LYS  87  -8.026   0.574  11.315
  702    H    GLU  88           H        GLU  88  -3.519   5.266  11.403
  703    HA   GLU  88           HA       GLU  88  -5.883   6.577  10.464
  704   1HB   GLU  88          1HB       GLU  88  -4.166   7.020  12.483
  705   2HB   GLU  88          2HB       GLU  88  -3.526   8.208  11.346
  706   1HG   GLU  88          1HG       GLU  88  -6.059   8.872  11.065
  707   2HG   GLU  88          2HG       GLU  88  -6.233   8.092  12.637
  708    H    GLN  89           H        GLN  89  -2.499   6.788   9.287
  709    HA   GLN  89           HA       GLN  89  -3.039   8.911   7.371
  710   1HB   GLN  89          1HB       GLN  89  -0.849   6.925   7.892
  711   2HB   GLN  89          2HB       GLN  89  -0.856   7.775   6.346
  712   1HG   GLN  89          1HG       GLN  89  -0.404   9.811   7.304
  713   2HG   GLN  89          2HG       GLN  89  -1.294   9.431   8.780
  714   1HE2  GLN  89          1HE2      GLN  89  -0.080   8.602  10.577
  715   2HE2  GLN  89          2HE2      GLN  89   1.581   8.261  10.491
  716    H    ILE  90           H        ILE  90  -3.222   5.348   7.218
  717    HA   ILE  90           HA       ILE  90  -3.567   5.218   4.331
  718    HB   ILE  90           HB       ILE  90  -4.402   3.293   6.535
  719   1HG1  ILE  90          1HG1      ILE  90  -2.007   2.850   4.819
  720   2HG1  ILE  90          2HG1      ILE  90  -1.879   4.115   6.040
  721   1HG2  ILE  90          1HG2      ILE  90  -4.149   3.007   3.534
  722   2HG2  ILE  90          3HG2      ILE  90  -4.124   1.616   4.618
  723   3HG2  ILE  90          2HG2      ILE  90  -5.551   2.650   4.543
  724   1HD1  ILE  90          2HD1      ILE  90  -3.120   1.641   7.039
  725   2HD1  ILE  90          1HD1      ILE  90  -1.453   1.434   6.504
  726   3HD1  ILE  90          3HD1      ILE  90  -1.839   2.623   7.747
  727    H    THR  91           H        THR  91  -5.883   5.447   7.086
  728    HA   THR  91           HA       THR  91  -8.229   5.142   5.394
  729    HB   THR  91           HB       THR  91  -8.237   4.761   7.851
  730    HG1  THR  91           HG1      THR  91 -10.229   5.590   8.114
  731   1HG2  THR  91          1HG2      THR  91  -7.726   7.736   7.915
  732   2HG2  THR  91          3HG2      THR  91  -8.438   6.881   9.278
  733   3HG2  THR  91          2HG2      THR  91  -6.823   6.457   8.721
  734    H    GLN  92           H        GLN  92  -6.268   7.968   6.334
  735    HA   GLN  92           HA       GLN  92  -8.165   9.938   5.297
  736   1HB   GLN  92          1HB       GLN  92  -6.257  10.340   6.946
  737   2HB   GLN  92          2HB       GLN  92  -5.150  10.197   5.580
  738   1HG   GLN  92          1HG       GLN  92  -7.455  12.047   5.235
  739   2HG   GLN  92          2HG       GLN  92  -6.191  12.559   6.354
  740   1HE2  GLN  92          1HE2      GLN  92  -3.972  12.868   5.458
  741   2HE2  GLN  92          2HE2      GLN  92  -3.747  13.034   3.784
  742    H    HIS  93           H        HIS  93  -5.322   8.202   3.960
  743    HA   HIS  93           HA       HIS  93  -5.128   9.525   1.438
  744   1HB   HIS  93          1HB       HIS  93  -3.503   7.876   2.314
  745   2HB   HIS  93          2HB       HIS  93  -4.705   6.598   2.164
  746    HD1  HIS  93           HD1      HIS  93  -2.503   8.850   0.089
  747    HD2  HIS  93           HD2      HIS  93  -5.037   5.587  -0.442
  748    HE1  HIS  93           HE1      HIS  93  -2.084   7.987  -2.257
  749    H    ILE  94           H        ILE  94  -7.207   6.733   2.395
  750    HA   ILE  94           HA       ILE  94  -8.418   6.455  -0.237
  751    HB   ILE  94           HB       ILE  94  -9.237   5.591   2.561
  752   1HG1  ILE  94          1HG1      ILE  94  -8.386   3.876   0.235
  753   2HG1  ILE  94          2HG1      ILE  94  -7.188   4.650   1.271
  754   1HG2  ILE  94          2HG2      ILE  94 -11.244   5.844   1.064
  755   2HG2  ILE  94          1HG2      ILE  94 -10.487   4.722  -0.068
  756   3HG2  ILE  94          3HG2      ILE  94 -10.942   4.174   1.546
  757   1HD1  ILE  94          2HD1      ILE  94  -8.245   3.568   3.247
  758   2HD1  ILE  94          1HD1      ILE  94  -9.370   2.746   2.164
  759   3HD1  ILE  94          3HD1      ILE  94  -7.645   2.390   2.079
  760    H    ALA  95           H        ALA  95  -9.311   8.290   2.707
  761    HA   ALA  95           HA       ALA  95 -11.859   9.245   1.780
  762   1HB   ALA  95          1HB       ALA  95  -9.861  10.727   3.525
  763   2HB   ALA  95          3HB       ALA  95 -11.614  10.922   3.524
  764   3HB   ALA  95          2HB       ALA  95 -10.894   9.427   4.118
  765    H    ASP  96           H        ASP  96  -8.537  10.499   1.269
  766    HA   ASP  96           HA       ASP  96  -9.261  12.964  -0.028
  767   1HB   ASP  96          1HB       ASP  96  -6.954  12.171   0.754
  768   2HB   ASP  96          2HB       ASP  96  -6.885  11.202  -0.718
  769    H    LEU  97           H        LEU  97  -8.768   9.658  -1.356
  770    HA   LEU  97           HA       LEU  97  -9.218  10.388  -4.126
  771   1HB   LEU  97          1HB       LEU  97  -8.154   8.269  -3.340
  772   2HB   LEU  97          2HB       LEU  97  -9.711   7.748  -2.698
  773    HG   LEU  97           HG       LEU  97 -10.493   8.315  -5.195
  774   1HD1  LEU  97          3HD1      LEU  97  -8.232   9.072  -5.874
  775   2HD1  LEU  97          2HD1      LEU  97  -7.590   7.478  -5.481
  776   3HD1  LEU  97          1HD1      LEU  97  -8.747   7.661  -6.799
  777   1HD2  LEU  97          1HD2      LEU  97  -9.366   5.880  -3.900
  778   2HD2  LEU  97          3HD2      LEU  97 -10.969   6.149  -4.583
  779   3HD2  LEU  97          2HD2      LEU  97  -9.606   5.804  -5.646
  780    H    SER  98           H        SER  98 -11.438   9.419  -1.475
  781    HA   SER  98           HA       SER  98 -13.749   9.741  -3.356
  782   1HB   SER  98          1HB       SER  98 -13.429   8.474  -0.615
  783   2HB   SER  98          2HB       SER  98 -14.968   8.587  -1.466
  784    HG   SER  98           HG       SER  98 -12.623   7.178  -2.191
  785    H    SER  99           H        SER  99 -12.805  12.224  -2.873
  786    HA   SER  99           HA       SER  99 -14.576  13.290  -0.697
  787   1HB   SER  99          1HB       SER  99 -12.376  13.476   0.147
  788   2HB   SER  99          2HB       SER  99 -11.707  13.853  -1.438
  789    HG   SER  99           HG       SER  99 -11.832  15.776  -0.410
  790    H    LYS 100           H        LYS 100 -15.856  13.280  -3.031
  791    HA   LYS 100           HA       LYS 100 -15.605  16.079  -4.039
  792   1HB   LYS 100          1HB       LYS 100 -15.135  13.516  -5.457
  793   2HB   LYS 100          2HB       LYS 100 -16.121  14.691  -6.329
  794   1HG   LYS 100          1HG       LYS 100 -14.403  16.358  -6.205
  795   2HG   LYS 100          2HG       LYS 100 -13.470  15.401  -5.055
  796   1HD   LYS 100          1HD       LYS 100 -12.821  13.838  -6.688
  797   2HD   LYS 100          2HD       LYS 100 -14.124  14.304  -7.782
  798   1HE   LYS 100          1HE       LYS 100 -12.062  16.361  -7.032
  799   2HE   LYS 100          2HE       LYS 100 -11.673  15.151  -8.271
  800   1HZ   LYS 100          3HZ       LYS 100 -13.774  15.695  -9.377
  801   2HZ   LYS 100          2HZ       LYS 100 -14.067  16.913  -8.228
  802   3HZ   LYS 100          1HZ       LYS 100 -12.749  17.043  -9.293
  803    H    ALA 101           H        ALA 101 -17.606  14.924  -2.238
  804    HA   ALA 101           HA       ALA 101 -20.020  15.273  -3.964
  805   1HB   ALA 101          1HB       ALA 101 -19.604  12.870  -3.754
  806   2HB   ALA 101          3HB       ALA 101 -19.459  13.024  -2.003
  807   3HB   ALA 101          2HB       ALA 101 -21.016  13.298  -2.786
  808    H    ALA 102           H        ALA 102 -18.833  17.196  -2.135
  809    HA   ALA 102           HA       ALA 102 -21.047  17.380  -0.139
  810   1HB   ALA 102          1HB       ALA 102 -18.244  18.072   0.664
  811   2HB   ALA 102          2HB       ALA 102 -18.699  16.369   0.605
  812   3HB   ALA 102          3HB       ALA 102 -19.574  17.479   1.659
  813    H    GLY 103           H        GLY 103 -21.989  19.396  -0.490
  814   1HA   GLY 103          2HA       GLY 103 -20.480  21.828  -0.440
  815   2HA   GLY 103          1HA       GLY 103 -22.170  21.689  -0.929
  816    H    THR 104           H        THR 104 -21.159  23.458  -2.510
  817    HA   THR 104           HA       THR 104 -19.903  22.102  -4.868
  818    HB   THR 104           HB       THR 104 -22.127  24.120  -5.122
  819    HG1  THR 104           HG1      THR 104 -23.602  22.516  -4.951
  820   1HG2  THR 104          1HG2      THR 104 -20.885  21.968  -6.819
  821   2HG2  THR 104          3HG2      THR 104 -22.503  22.571  -7.177
  822   3HG2  THR 104          2HG2      THR 104 -21.126  23.673  -7.199
  823    HA   PRO 105           HA       PRO 105 -17.806  26.095  -3.859
  824   1HB   PRO 105          1HB       PRO 105 -15.267  25.223  -4.390
  825   2HB   PRO 105          2HB       PRO 105 -16.051  25.010  -2.812
  826   1HG   PRO 105          1HG       PRO 105 -15.685  23.052  -5.022
  827   2HG   PRO 105          2HG       PRO 105 -15.586  22.811  -3.270
  828   1HD   PRO 105          1HD       PRO 105 -17.751  22.102  -4.774
  829   2HD   PRO 105          2HD       PRO 105 -17.844  22.529  -3.051
  830    H    LYS 106           H        LYS 106 -16.282  27.403  -5.410
  831    HA   LYS 106           HA       LYS 106 -16.907  26.652  -8.250
  832   1HB   LYS 106          1HB       LYS 106 -17.071  29.134  -6.624
  833   2HB   LYS 106          2HB       LYS 106 -16.491  29.337  -8.278
  834   1HG   LYS 106          1HG       LYS 106 -18.481  28.554  -9.216
  835   2HG   LYS 106          2HG       LYS 106 -18.934  27.669  -7.759
  836   1HD   LYS 106          1HD       LYS 106 -18.795  30.691  -7.910
  837   2HD   LYS 106          2HD       LYS 106 -20.279  29.766  -8.143
  838   1HE   LYS 106          1HE       LYS 106 -19.424  28.671  -5.810
  839   2HE   LYS 106          2HE       LYS 106 -18.782  30.316  -5.639
  840   1HZ   LYS 106          2HZ       LYS 106 -20.987  31.142  -6.367
  841   2HZ   LYS 106          1HZ       LYS 106 -21.577  29.551  -6.291
  842   3HZ   LYS 106          3HZ       LYS 106 -21.037  30.321  -4.880
  843    H    LYS 107           H        LYS 107 -14.556  28.677  -6.369
  844    HA   LYS 107           HA       LYS 107 -12.435  27.763  -8.287
  845   1HB   LYS 107          1HB       LYS 107 -13.123  30.356  -6.946
  846   2HB   LYS 107          2HB       LYS 107 -11.431  30.030  -7.322
  847   1HG   LYS 107          1HG       LYS 107 -13.421  29.486  -9.473
  848   2HG   LYS 107          2HG       LYS 107 -13.087  31.177  -9.098
  849   1HD   LYS 107          1HD       LYS 107 -10.679  30.787  -9.411
  850   2HD   LYS 107          2HD       LYS 107 -10.991  29.085  -9.755
  851   1HE   LYS 107          1HE       LYS 107 -12.541  31.026 -11.390
  852   2HE   LYS 107          2HE       LYS 107 -10.798  30.946 -11.715
  853   1HZ   LYS 107          2HZ       LYS 107 -12.589  28.583 -11.500
  854   2HZ   LYS 107          1HZ       LYS 107 -12.068  29.263 -12.968
  855   3HZ   LYS 107          3HZ       LYS 107 -10.940  28.567 -11.909
  856    H    LYS 108           H        LYS 108 -10.637  26.727  -7.360
  857    HA   LYS 108           HA       LYS 108 -10.302  26.946  -4.389
  858   1HB   LYS 108          1HB       LYS 108  -9.860  24.491  -4.410
  859   2HB   LYS 108          2HB       LYS 108 -11.490  24.874  -4.959
  860   1HG   LYS 108          1HG       LYS 108  -9.443  24.803  -7.096
  861   2HG   LYS 108          2HG       LYS 108  -9.763  23.251  -6.321
  862   1HD   LYS 108          1HD       LYS 108 -12.143  24.888  -7.028
  863   2HD   LYS 108          2HD       LYS 108 -11.247  24.186  -8.375
  864   1HE   LYS 108          1HE       LYS 108 -11.593  21.966  -7.601
  865   2HE   LYS 108          2HE       LYS 108 -12.069  22.520  -5.983
  866   1HZ   LYS 108          1HZ       LYS 108 -13.530  23.128  -8.499
  867   2HZ   LYS 108          3HZ       LYS 108 -14.008  21.974  -7.352
  868   3HZ   LYS 108          2HZ       LYS 108 -13.982  23.621  -6.937
  869    H    ALA 109           H        ALA 109  -8.676  28.584  -5.745
  870    HA   ALA 109           HA       ALA 109  -6.135  27.055  -6.222
  871   1HB   ALA 109          2HB       ALA 109  -6.660  29.842  -7.207
  872   2HB   ALA 109          3HB       ALA 109  -7.441  28.490  -8.026
  873   3HB   ALA 109          1HB       ALA 109  -5.681  28.572  -7.939
  874    H    VAL 110           H        VAL 110  -4.318  27.674  -4.977
  875    HA   VAL 110           HA       VAL 110  -4.626  30.107  -3.251
  876    HB   VAL 110           HB       VAL 110  -5.113  28.029  -2.010
  877   1HG1  VAL 110          2HG1      VAL 110  -2.395  27.211  -3.060
  878   2HG1  VAL 110          1HG1      VAL 110  -3.166  26.414  -1.690
  879   3HG1  VAL 110          3HG1      VAL 110  -3.933  26.375  -3.277
  880   1HG2  VAL 110          1HG2      VAL 110  -3.829  29.943  -0.952
  881   2HG2  VAL 110          3HG2      VAL 110  -3.585  28.376  -0.182
  882   3HG2  VAL 110          2HG2      VAL 110  -2.353  29.030  -1.262
  883    H    VAL 111           H        VAL 111  -2.624  31.257  -2.848
  884    HA   VAL 111           HA       VAL 111  -0.335  30.375  -4.580
  885    HB   VAL 111           HB       VAL 111  -1.204  33.127  -3.622
  886   1HG1  VAL 111          3HG1      VAL 111   1.293  32.712  -4.052
  887   2HG1  VAL 111          2HG1      VAL 111   0.850  32.467  -5.742
  888   3HG1  VAL 111          1HG1      VAL 111   0.547  34.022  -4.967
  889   1HG2  VAL 111          3HG2      VAL 111  -2.670  31.963  -5.343
  890   2HG2  VAL 111          2HG2      VAL 111  -1.972  33.494  -5.874
  891   3HG2  VAL 111          1HG2      VAL 111  -1.275  31.970  -6.423
  892    H    GLN 112           H        GLN 112   1.592  29.901  -3.494
  893    HA   GLN 112           HA       GLN 112   1.794  30.769  -0.627
  894   1HB   GLN 112          1HB       GLN 112   1.565  28.266  -1.493
  895   2HB   GLN 112          2HB       GLN 112   3.294  28.449  -1.793
  896   1HG   GLN 112          1HG       GLN 112   3.568  29.218   0.577
  897   2HG   GLN 112          2HG       GLN 112   1.864  28.850   0.850
  898   1HE2  GLN 112          1HE2      GLN 112   4.812  27.514   1.459
  899   2HE2  GLN 112          2HE2      GLN 112   4.428  25.868   1.301
  900    H    ALA 113           H        ALA 113   3.647  31.971  -0.078
  901    HA   ALA 113           HA       ALA 113   5.744  32.258  -2.208
  902   1HB   ALA 113          2HB       ALA 113   4.990  34.226  -0.031
  903   2HB   ALA 113          3HB       ALA 113   4.203  34.209  -1.610
  904   3HB   ALA 113          1HB       ALA 113   5.931  34.543  -1.489
  905    H    LYS 114           H        LYS 114   7.813  31.590  -1.589
  906    HA   LYS 114           HA       LYS 114   8.311  31.210   1.348
  907   1HB   LYS 114          1HB       LYS 114   8.798  29.618  -1.113
  908   2HB   LYS 114          2HB       LYS 114  10.094  29.591   0.084
  909   1HG   LYS 114          1HG       LYS 114   8.607  28.796   1.798
  910   2HG   LYS 114          2HG       LYS 114   7.194  29.061   0.774
  911   1HD   LYS 114          1HD       LYS 114   7.576  27.174  -0.482
  912   2HD   LYS 114          2HD       LYS 114   9.327  27.285  -0.308
  913   1HE   LYS 114          1HE       LYS 114   9.340  26.024   1.602
  914   2HE   LYS 114          2HE       LYS 114   7.847  26.765   2.211
  915   1HZ   LYS 114          1HZ       LYS 114   7.958  24.886  -0.087
  916   2HZ   LYS 114          3HZ       LYS 114   7.554  24.424   1.494
  917   3HZ   LYS 114          2HZ       LYS 114   6.563  25.515   0.649
  918    H    LEU 115           H        LEU 115  10.156  32.245   2.201
  919    HA   LEU 115           HA       LEU 115  11.916  33.673   0.231
  920   1HB   LEU 115          1HB       LEU 115  10.317  34.943   1.807
  921   2HB   LEU 115          2HB       LEU 115  11.387  34.429   3.112
  922    HG   LEU 115           HG       LEU 115  13.258  35.378   1.474
  923   1HD1  LEU 115          3HD1      LEU 115  10.694  36.753   0.657
  924   2HD1  LEU 115          2HD1      LEU 115  12.270  37.519   0.452
  925   3HD1  LEU 115          1HD1      LEU 115  11.909  36.007  -0.382
  926   1HD2  LEU 115          2HD2      LEU 115  12.774  36.159   3.778
  927   2HD2  LEU 115          1HD2      LEU 115  13.113  37.511   2.698
  928   3HD2  LEU 115          3HD2      LEU 115  11.451  37.146   3.156
  929    H    THR 116           H        THR 116  14.205  33.516   0.580
  930    HA   THR 116           HA       THR 116  15.037  31.589   2.728
  931    HB   THR 116           HB       THR 116  16.893  31.085   1.080
  932    HG1  THR 116           HG1      THR 116  16.920  32.857  -0.190
  933   1HG2  THR 116          1HG2      THR 116  14.814  29.717   1.248
  934   2HG2  THR 116          3HG2      THR 116  14.084  30.728   0.002
  935   3HG2  THR 116          2HG2      THR 116  15.489  29.733  -0.382
  936    H    THR 117           H        THR 117  15.950  32.864   4.376
  937    HA   THR 117           HA       THR 117  17.814  35.059   3.522
  938    HB   THR 117           HB       THR 117  16.205  34.746   6.078
  939    HG1  THR 117           HG1      THR 117  14.744  35.137   4.521
  940   1HG2  THR 117          2HG2      THR 117  17.824  37.021   4.906
  941   2HG2  THR 117          1HG2      THR 117  16.740  37.193   6.287
  942   3HG2  THR 117          3HG2      THR 117  18.153  36.144   6.400

  No H/Q in entry =         942
  Start of MODEL    6
    1    H1   MET   1           H        MET   1 -12.473 -15.145 -15.784
    2    H2   MET   1           HN2      MET   1 -13.725 -14.022 -15.546
    3    HA   MET   1           HA       MET   1 -11.611 -14.616 -13.535
    4   1HB   MET   1          1HB       MET   1 -11.013 -13.592 -15.848
    5   2HB   MET   1          2HB       MET   1 -11.891 -12.169 -15.283
    6   1HG   MET   1          1HG       MET   1 -10.420 -12.284 -13.186
    7   2HG   MET   1          2HG       MET   1  -9.421 -13.429 -14.080
    8   1HE   MET   1          3HE       MET   1  -7.363 -12.640 -14.827
    9   2HE   MET   1          2HE       MET   1  -8.219 -12.914 -16.342
   10   3HE   MET   1          1HE       MET   1  -7.200 -11.489 -16.160
   11    H    ALA   2           H        ALA   2 -13.218 -14.526 -11.790
   12    HA   ALA   2           HA       ALA   2 -14.356 -11.783 -11.383
   13   1HB   ALA   2          1HB       ALA   2 -15.692 -14.478 -10.970
   14   2HB   ALA   2          3HB       ALA   2 -16.407 -12.924 -10.543
   15   3HB   ALA   2          2HB       ALA   2 -16.085 -13.311 -12.233
   16    H    GLU   3           H        GLU   3 -11.894 -12.860 -10.222
   17    HA   GLU   3           HA       GLU   3 -12.695 -12.809  -7.348
   18   1HB   GLU   3          1HB       GLU   3 -12.509 -15.168  -8.146
   19   2HB   GLU   3          2HB       GLU   3 -10.841 -14.846  -8.625
   20   1HG   GLU   3          1HG       GLU   3 -10.188 -14.413  -6.348
   21   2HG   GLU   3          2HG       GLU   3 -11.866 -14.443  -5.804
   22    H    GLN   4           H        GLN   4 -11.237 -11.557  -6.122
   23    HA   GLN   4           HA       GLN   4  -8.515 -11.061  -7.230
   24   1HB   GLN   4          1HB       GLN   4  -8.894  -8.611  -6.935
   25   2HB   GLN   4          2HB       GLN   4  -9.979  -9.313  -8.134
   26   1HG   GLN   4          1HG       GLN   4 -11.844  -9.092  -6.784
   27   2HG   GLN   4          2HG       GLN   4 -10.911  -9.212  -5.292
   28   1HE2  GLN   4          1HE2      GLN   4 -11.466  -6.952  -8.073
   29   2HE2  GLN   4          2HE2      GLN   4 -11.172  -5.550  -7.163
   30    H    ARG   5           H        ARG   5  -6.979 -10.388  -5.562
   31    HA   ARG   5           HA       ARG   5  -8.039 -10.329  -2.765
   32   1HB   ARG   5          1HB       ARG   5  -6.288 -12.305  -4.118
   33   2HB   ARG   5          2HB       ARG   5  -5.745 -11.788  -2.521
   34   1HG   ARG   5          1HG       ARG   5  -8.546 -12.779  -3.123
   35   2HG   ARG   5          2HG       ARG   5  -7.261 -13.785  -2.452
   36   1HD   ARG   5          1HD       ARG   5  -7.076 -11.862  -0.655
   37   2HD   ARG   5          2HD       ARG   5  -8.739 -11.507  -1.165
   38    HE   ARG   5           HE       ARG   5  -9.291 -13.892  -0.644
   39   1HH1  ARG   5          1HH1      ARG   5  -7.584 -15.747  -0.113
   40   2HH1  ARG   5          2HH1      ARG   5  -6.859 -15.495   1.440
   41   1HH2  ARG   5          1HH2      ARG   5  -7.821 -12.170   1.646
   42   2HH2  ARG   5          2HH2      ARG   5  -6.993 -13.470   2.435
   43    H    PHE   6           H        PHE   6  -7.048  -8.671  -1.581
   44    HA   PHE   6           HA       PHE   6  -4.469  -7.571  -2.657
   45   1HB   PHE   6          1HB       PHE   6  -7.100  -6.387  -2.123
   46   2HB   PHE   6          2HB       PHE   6  -5.798  -5.517  -1.315
   47    HD1  PHE   6           HD1      PHE   6  -3.854  -4.636  -2.664
   48    HD2  PHE   6           HD2      PHE   6  -7.372  -6.299  -4.492
   49    HE1  PHE   6           HE1      PHE   6  -3.248  -3.563  -4.810
   50    HE2  PHE   6           HE2      PHE   6  -6.759  -5.224  -6.641
   51    HZ   PHE   6           HZ       PHE   6  -4.697  -3.856  -6.800
   52    H    CYS   7           H        CYS   7  -2.858  -7.183  -1.084
   53    HA   CYS   7           HA       CYS   7  -3.631  -7.598   1.791
   54   1HB   CYS   7          1HB       CYS   7  -1.198  -8.552   0.236
   55   2HB   CYS   7          2HB       CYS   7  -1.406  -8.743   1.977
   56    HG   CYS   7           HG       CYS   7  -3.811  -9.965   0.896
   57    H    VAL   8           H        VAL   8  -2.016  -6.447   3.301
   58    HA   VAL   8           HA       VAL   8  -0.598  -4.212   1.900
   59    HB   VAL   8           HB       VAL   8  -1.501  -2.670   3.603
   60   1HG1  VAL   8          2HG1      VAL   8  -2.805  -3.634   1.428
   61   2HG1  VAL   8          1HG1      VAL   8  -3.979  -4.018   2.686
   62   3HG1  VAL   8          3HG1      VAL   8  -3.447  -2.352   2.454
   63   1HG2  VAL   8          3HG2      VAL   8  -1.769  -4.321   5.434
   64   2HG2  VAL   8          2HG2      VAL   8  -3.260  -3.428   5.145
   65   3HG2  VAL   8          1HG2      VAL   8  -3.093  -5.077   4.549
   66    H    ASP   9           H        ASP   9   1.483  -3.867   2.669
   67    HA   ASP   9           HA       ASP   9   2.185  -4.915   5.383
   68   1HB   ASP   9          1HB       ASP   9   3.205  -5.678   2.674
   69   2HB   ASP   9          2HB       ASP   9   4.366  -5.625   4.002
   70    H    TYR  10           H        TYR  10   4.096  -3.845   6.292
   71    HA   TYR  10           HA       TYR  10   4.581  -1.157   5.059
   72   1HB   TYR  10          1HB       TYR  10   4.197  -2.219   7.724
   73   2HB   TYR  10          2HB       TYR  10   5.752  -1.395   7.645
   74    HD1  TYR  10           HD1      TYR  10   5.370   0.799   5.817
   75    HD2  TYR  10           HD2      TYR  10   2.615  -0.804   8.704
   76    HE1  TYR  10           HE1      TYR  10   4.219   2.990   5.935
   77    HE2  TYR  10           HE2      TYR  10   1.468   1.393   8.819
   78    HH   TYR  10           HH       TYR  10   1.423   3.553   6.797
   79    H    ALA  11           H        ALA  11   6.718  -0.498   4.514
   80    HA   ALA  11           HA       ALA  11   8.633  -2.489   3.773
   81   1HB   ALA  11          1HB       ALA  11   9.489   0.296   4.520
   82   2HB   ALA  11          2HB       ALA  11   8.359   0.081   3.184
   83   3HB   ALA  11          3HB       ALA  11   9.953  -0.670   3.120
   84    H    LYS  12           H        LYS  12  10.367  -3.462   4.895
   85    HA   LYS  12           HA       LYS  12  10.848  -2.525   7.705
   86   1HB   LYS  12          1HB       LYS  12  10.143  -5.188   6.543
   87   2HB   LYS  12          2HB       LYS  12  11.259  -5.166   7.909
   88   1HG   LYS  12          1HG       LYS  12   9.459  -3.495   8.918
   89   2HG   LYS  12          2HG       LYS  12   8.387  -4.335   7.796
   90   1HD   LYS  12          1HD       LYS  12   8.598  -6.363   8.893
   91   2HD   LYS  12          2HD       LYS  12  10.203  -5.978   9.515
   92   1HE   LYS  12          1HE       LYS  12   9.345  -4.652  11.267
   93   2HE   LYS  12          2HE       LYS  12   7.777  -4.443  10.459
   94   1HZ   LYS  12          2HZ       LYS  12   8.875  -7.027  11.437
   95   2HZ   LYS  12          1HZ       LYS  12   7.658  -6.128  12.210
   96   3HZ   LYS  12          3HZ       LYS  12   7.368  -6.804  10.683
   97    H    ARG  13           H        ARG  13  12.226  -4.848   5.282
   98    HA   ARG  13           HA       ARG  13  14.864  -3.486   5.582
   99   1HB   ARG  13          1HB       ARG  13  14.489  -5.404   7.246
  100   2HB   ARG  13          2HB       ARG  13  14.503  -6.480   5.847
  101   1HG   ARG  13          1HG       ARG  13  16.750  -6.538   6.308
  102   2HG   ARG  13          2HG       ARG  13  16.740  -5.073   5.326
  103   1HD   ARG  13          1HD       ARG  13  17.814  -4.218   7.189
  104   2HD   ARG  13          2HD       ARG  13  16.142  -3.996   7.744
  105    HE   ARG  13           HE       ARG  13  18.010  -6.008   8.739
  106   1HH1  ARG  13          1HH1      ARG  13  16.128  -7.970   8.203
  107   2HH1  ARG  13          2HH1      ARG  13  14.883  -7.800   9.394
  108   1HH2  ARG  13          1HH2      ARG  13  15.794  -4.570  10.270
  109   2HH2  ARG  13          2HH2      ARG  13  14.694  -5.876  10.564
  110    H    GLY  14           H        GLY  14  14.679  -2.838   3.315
  111   1HA   GLY  14          2HA       GLY  14  14.405  -5.049   1.342
  112   2HA   GLY  14          1HA       GLY  14  15.860  -4.054   1.294
  113    H    THR  15           H        THR  15  15.459  -3.000  -0.713
  114    HA   THR  15           HA       THR  15  13.049  -1.209  -0.745
  115    HB   THR  15           HB       THR  15  14.567   0.189  -2.232
  116    HG1  THR  15           HG1      THR  15  16.691  -0.390  -2.341
  117   1HG2  THR  15          3HG2      THR  15  14.917  -0.379   0.647
  118   2HG2  THR  15          2HG2      THR  15  16.269   0.459  -0.116
  119   3HG2  THR  15          1HG2      THR  15  14.652   1.158  -0.176
  120    H    ALA  16           H        ALA  16  11.830  -1.109  -2.733
  121    HA   ALA  16           HA       ALA  16  12.737  -2.894  -4.947
  122   1HB   ALA  16          1HB       ALA  16  10.372  -3.811  -4.961
  123   2HB   ALA  16          2HB       ALA  16  10.118  -2.978  -3.428
  124   3HB   ALA  16          3HB       ALA  16  11.323  -4.261  -3.545
  125    H    GLY  17           H        GLY  17  11.950  -2.268  -7.027
  126   1HA   GLY  17          2HA       GLY  17  11.261  -0.692  -8.615
  127   2HA   GLY  17          1HA       GLY  17  11.232   0.506  -7.322
  128    H    CYS  18           H        CYS  18   9.204   1.403  -7.161
  129    HA   CYS  18           HA       CYS  18   6.852  -0.153  -6.561
  130   1HB   CYS  18          1HB       CYS  18   7.015   2.154  -5.908
  131   2HB   CYS  18          2HB       CYS  18   7.362   2.669  -7.551
  132    H    LYS  19           H        LYS  19   5.435  -1.252  -7.937
  133    HA   LYS  19           HA       LYS  19   6.025  -1.609 -10.737
  134   1HB   LYS  19          1HB       LYS  19   3.775  -2.269  -8.873
  135   2HB   LYS  19          2HB       LYS  19   3.445  -2.367 -10.603
  136   1HG   LYS  19          1HG       LYS  19   5.862  -3.680  -9.350
  137   2HG   LYS  19          2HG       LYS  19   4.313  -4.509  -9.505
  138   1HD   LYS  19          1HD       LYS  19   4.391  -4.492 -11.849
  139   2HD   LYS  19          2HD       LYS  19   5.559  -3.171 -11.895
  140   1HE   LYS  19          1HE       LYS  19   6.501  -5.603 -10.485
  141   2HE   LYS  19          2HE       LYS  19   6.257  -5.786 -12.234
  142   1HZ   LYS  19          3HZ       LYS  19   7.698  -3.507 -10.991
  143   2HZ   LYS  19          2HZ       LYS  19   8.475  -4.877 -11.628
  144   3HZ   LYS  19          1HZ       LYS  19   7.574  -3.857 -12.645
  145    H    LYS  20           H        LYS  20   4.995  -0.657 -12.630
  146    HA   LYS  20           HA       LYS  20   4.064   1.154 -13.841
  147   1HB   LYS  20          1HB       LYS  20   2.217   0.708 -11.486
  148   2HB   LYS  20          2HB       LYS  20   1.861   1.946 -12.693
  149   1HG   LYS  20          1HG       LYS  20   1.502   0.398 -14.380
  150   2HG   LYS  20          2HG       LYS  20   2.562  -0.805 -13.645
  151   1HD   LYS  20          1HD       LYS  20   0.891  -1.154 -11.844
  152   2HD   LYS  20          2HD       LYS  20  -0.178   0.009 -12.629
  153   1HE   LYS  20          1HE       LYS  20  -0.566  -1.408 -14.479
  154   2HE   LYS  20          2HE       LYS  20   0.875  -2.388 -14.142
  155   1HZ   LYS  20          1HZ       LYS  20  -0.159  -3.011 -12.005
  156   2HZ   LYS  20          3HZ       LYS  20  -1.573  -2.197 -12.467
  157   3HZ   LYS  20          2HZ       LYS  20  -1.052  -3.555 -13.345
  158    H    CYS  21           H        CYS  21   6.294   1.925 -12.287
  159    HA   CYS  21           HA       CYS  21   5.702   4.766 -11.764
  160   1HB   CYS  21          1HB       CYS  21   4.868   3.660  -9.759
  161   2HB   CYS  21          2HB       CYS  21   6.360   2.748  -9.597
  162    H    LYS  22           H        LYS  22   7.700   6.018 -11.534
  163    HA   LYS  22           HA       LYS  22  10.167   4.497 -12.313
  164   1HB   LYS  22          1HB       LYS  22   9.214   6.420 -13.710
  165   2HB   LYS  22          2HB       LYS  22   9.650   7.489 -12.376
  166   1HG   LYS  22          1HG       LYS  22  11.915   7.255 -12.743
  167   2HG   LYS  22          2HG       LYS  22  11.748   5.625 -13.396
  168   1HD   LYS  22          1HD       LYS  22  10.679   6.603 -15.436
  169   2HD   LYS  22          2HD       LYS  22  11.015   8.212 -14.796
  170   1HE   LYS  22          1HE       LYS  22  13.238   6.185 -15.082
  171   2HE   LYS  22          2HE       LYS  22  12.749   7.207 -16.450
  172   1HZ   LYS  22          3HZ       LYS  22  13.344   8.265 -13.741
  173   2HZ   LYS  22          2HZ       LYS  22  14.490   8.214 -14.994
  174   3HZ   LYS  22          1HZ       LYS  22  13.087   9.158 -15.159
  175    H    GLU  23           H        GLU  23   9.412   4.259  -9.608
  176    HA   GLU  23           HA       GLU  23  11.540   5.854  -8.257
  177   1HB   GLU  23          1HB       GLU  23   8.947   6.596  -8.177
  178   2HB   GLU  23          2HB       GLU  23   8.945   5.432  -6.855
  179   1HG   GLU  23          1HG       GLU  23  10.288   6.729  -5.529
  180   2HG   GLU  23          2HG       GLU  23  11.216   7.344  -6.897
  181    H    LYS  24           H        LYS  24  11.435   4.893  -5.734
  182    HA   LYS  24           HA       LYS  24  11.269   1.900  -5.928
  183   1HB   LYS  24          1HB       LYS  24  13.437   1.858  -4.705
  184   2HB   LYS  24          2HB       LYS  24  13.588   2.666  -6.264
  185   1HG   LYS  24          1HG       LYS  24  13.564   4.837  -5.241
  186   2HG   LYS  24          2HG       LYS  24  13.086   4.165  -3.681
  187   1HD   LYS  24          1HD       LYS  24  15.204   3.302  -3.247
  188   2HD   LYS  24          2HD       LYS  24  15.628   3.212  -4.957
  189   1HE   LYS  24          1HE       LYS  24  15.567   5.775  -4.970
  190   2HE   LYS  24          2HE       LYS  24  15.527   5.676  -3.198
  191   1HZ   LYS  24          1HZ       LYS  24  17.482   4.215  -3.307
  192   2HZ   LYS  24          3HZ       LYS  24  17.556   4.440  -4.986
  193   3HZ   LYS  24          2HZ       LYS  24  17.808   5.757  -3.942
  194    H    ILE  25           H        ILE  25  10.927   0.864  -3.819
  195    HA   ILE  25           HA       ILE  25   9.506   2.680  -1.923
  196    HB   ILE  25           HB       ILE  25   9.662  -0.356  -2.025
  197   1HG1  ILE  25          1HG1      ILE  25   7.490   1.490  -3.076
  198   2HG1  ILE  25          2HG1      ILE  25   8.687   0.692  -4.097
  199   1HG2  ILE  25          2HG2      ILE  25   8.135   1.658  -0.421
  200   2HG2  ILE  25          1HG2      ILE  25   7.350   0.132  -0.826
  201   3HG2  ILE  25          3HG2      ILE  25   8.855   0.133   0.097
  202   1HD1  ILE  25          2HD1      ILE  25   6.999  -0.916  -2.190
  203   2HD1  ILE  25          1HD1      ILE  25   6.367  -0.456  -3.772
  204   3HD1  ILE  25          3HD1      ILE  25   7.822  -1.448  -3.656
  205    H    VAL  26           H        VAL  26  10.805   3.516  -0.304
  206    HA   VAL  26           HA       VAL  26  13.022   1.796   0.774
  207    HB   VAL  26           HB       VAL  26  12.516   4.796   0.854
  208   1HG1  VAL  26          2HG1      VAL  26  14.759   3.061   1.896
  209   2HG1  VAL  26          1HG1      VAL  26  15.003   4.769   1.527
  210   3HG1  VAL  26          3HG1      VAL  26  13.836   4.291   2.759
  211   1HG2  VAL  26          1HG2      VAL  26  13.245   3.389  -1.330
  212   2HG2  VAL  26          3HG2      VAL  26  13.863   5.005  -0.997
  213   3HG2  VAL  26          2HG2      VAL  26  14.829   3.590  -0.584
  214    H    LYS  27           H        LYS  27  13.365   1.946   3.170
  215    HA   LYS  27           HA       LYS  27  11.265   1.174   4.798
  216   1HB   LYS  27          1HB       LYS  27  13.765   2.759   5.321
  217   2HB   LYS  27          2HB       LYS  27  12.652   2.446   6.652
  218   1HG   LYS  27          1HG       LYS  27  12.736  -0.007   6.007
  219   2HG   LYS  27          2HG       LYS  27  14.056   0.406   4.912
  220   1HD   LYS  27          1HD       LYS  27  15.063   1.572   7.058
  221   2HD   LYS  27          2HD       LYS  27  13.999   0.452   7.911
  222   1HE   LYS  27          1HE       LYS  27  15.228  -1.392   7.291
  223   2HE   LYS  27          2HE       LYS  27  15.643  -0.705   5.707
  224   1HZ   LYS  27          3HZ       LYS  27  16.692   0.298   8.300
  225   2HZ   LYS  27          2HZ       LYS  27  17.546  -0.743   7.264
  226   3HZ   LYS  27          1HZ       LYS  27  17.144   0.826   6.753
  227    H    GLY  28           H        GLY  28   9.430   2.115   5.712
  228   1HA   GLY  28          2HA       GLY  28   9.294   5.091   5.801
  229   2HA   GLY  28          1HA       GLY  28   8.315   4.006   6.782
  230    H    VAL  29           H        VAL  29   8.217   2.561   3.770
  231    HA   VAL  29           HA       VAL  29   5.907   4.239   2.864
  232    HB   VAL  29           HB       VAL  29   7.844   2.413   1.389
  233   1HG1  VAL  29          1HG1      VAL  29   5.485   2.400   0.473
  234   2HG1  VAL  29          3HG1      VAL  29   5.648   4.136   0.205
  235   3HG1  VAL  29          2HG1      VAL  29   6.699   3.009  -0.650
  236   1HG2  VAL  29          1HG2      VAL  29   7.521   5.394   1.642
  237   2HG2  VAL  29          3HG2      VAL  29   8.991   4.425   1.746
  238   3HG2  VAL  29          2HG2      VAL  29   8.228   4.705   0.178
  239    H    CYS  30           H        CYS  30   3.888   3.181   2.767
  240    HA   CYS  30           HA       CYS  30   3.766   0.371   3.721
  241   1HB   CYS  30          1HB       CYS  30   2.189   2.137   4.516
  242   2HB   CYS  30          2HB       CYS  30   1.581   2.312   2.869
  243    HG   CYS  30           HG       CYS  30   1.395  -0.561   3.914
  244    H    ARG  31           H        ARG  31   3.424  -1.409   2.339
  245    HA   ARG  31           HA       ARG  31   3.032  -0.759  -0.568
  246   1HB   ARG  31          1HB       ARG  31   4.394  -3.094   0.817
  247   2HB   ARG  31          2HB       ARG  31   4.299  -2.862  -0.929
  248   1HG   ARG  31          1HG       ARG  31   5.538  -0.744  -0.727
  249   2HG   ARG  31          2HG       ARG  31   5.619  -0.953   1.023
  250   1HD   ARG  31          1HD       ARG  31   6.787  -2.899  -1.003
  251   2HD   ARG  31          2HD       ARG  31   7.723  -1.718  -0.067
  252    HE   ARG  31           HE       ARG  31   6.891  -2.875   2.000
  253   1HH1  ARG  31          1HH1      ARG  31   8.118  -4.594  -0.525
  254   2HH1  ARG  31          2HH1      ARG  31   7.404  -6.115  -0.108
  255   1HH2  ARG  31          1HH2      ARG  31   5.327  -4.776   2.324
  256   2HH2  ARG  31          2HH2      ARG  31   5.824  -6.219   1.505
  257    H    ILE  32           H        ILE  32   1.272  -1.710  -1.628
  258    HA   ILE  32           HA       ILE  32  -0.413  -3.604  -0.030
  259    HB   ILE  32           HB       ILE  32  -1.209  -2.173  -2.584
  260   1HG1  ILE  32          1HG1      ILE  32  -1.541  -1.079   0.238
  261   2HG1  ILE  32          2HG1      ILE  32  -0.362  -0.470  -0.922
  262   1HG2  ILE  32          2HG2      ILE  32  -2.489  -4.081  -1.210
  263   2HG2  ILE  32          1HG2      ILE  32  -3.043  -2.679  -0.296
  264   3HG2  ILE  32          3HG2      ILE  32  -3.347  -2.778  -2.030
  265   1HD1  ILE  32          1HD1      ILE  32  -3.341  -0.577  -1.468
  266   2HD1  ILE  32          3HD1      ILE  32  -2.515   0.853  -0.843
  267   3HD1  ILE  32          2HD1      ILE  32  -2.107   0.223  -2.441
  268    H    GLY  33           H        GLY  33  -0.471  -5.758  -0.745
  269   1HA   GLY  33          2HA       GLY  33   0.626  -7.500  -2.034
  270   2HA   GLY  33          1HA       GLY  33   0.853  -6.341  -3.342
  271    H    LYS  34           H        LYS  34  -0.346  -7.130  -5.067
  272    HA   LYS  34           HA       LYS  34  -3.226  -7.770  -4.529
  273   1HB   LYS  34          1HB       LYS  34  -2.728  -5.809  -5.963
  274   2HB   LYS  34          2HB       LYS  34  -1.791  -6.842  -7.042
  275   1HG   LYS  34          1HG       LYS  34  -3.844  -8.221  -7.427
  276   2HG   LYS  34          2HG       LYS  34  -4.758  -7.065  -6.461
  277   1HD   LYS  34          1HD       LYS  34  -4.680  -5.437  -8.082
  278   2HD   LYS  34          2HD       LYS  34  -3.097  -5.951  -8.668
  279   1HE   LYS  34          1HE       LYS  34  -4.456  -8.121  -9.413
  280   2HE   LYS  34          2HE       LYS  34  -5.811  -6.974  -9.412
  281   1HZ   LYS  34          2HZ       LYS  34  -3.188  -6.473 -10.715
  282   2HZ   LYS  34          1HZ       LYS  34  -4.577  -7.000 -11.539
  283   3HZ   LYS  34          3HZ       LYS  34  -4.565  -5.480 -10.788
  284    H    VAL  35           H        VAL  35  -3.509 -10.022  -4.495
  285    HA   VAL  35           HA       VAL  35  -1.664 -11.718  -6.108
  286    HB   VAL  35           HB       VAL  35  -3.905 -12.432  -4.178
  287   1HG1  VAL  35          3HG1      VAL  35  -3.122 -14.172  -5.892
  288   2HG1  VAL  35          2HG1      VAL  35  -1.572 -14.145  -5.052
  289   3HG1  VAL  35          1HG1      VAL  35  -3.029 -14.648  -4.196
  290   1HG2  VAL  35          3HG2      VAL  35  -0.993 -11.802  -3.828
  291   2HG2  VAL  35          2HG2      VAL  35  -2.358 -11.375  -2.796
  292   3HG2  VAL  35          1HG2      VAL  35  -1.727 -13.023  -2.788
  293    H    VAL  36           H        VAL  36  -2.304 -11.839  -8.280
  294    HA   VAL  36           HA       VAL  36  -5.189 -12.470  -8.780
  295    HB   VAL  36           HB       VAL  36  -4.421 -10.168  -9.444
  296   1HG1  VAL  36          2HG1      VAL  36  -2.131 -11.387 -10.335
  297   2HG1  VAL  36          1HG1      VAL  36  -3.020 -11.184 -11.840
  298   3HG1  VAL  36          3HG1      VAL  36  -2.660  -9.783 -10.832
  299   1HG2  VAL  36          3HG2      VAL  36  -5.452 -12.179 -11.422
  300   2HG2  VAL  36          2HG2      VAL  36  -6.314 -10.871 -10.613
  301   3HG2  VAL  36          1HG2      VAL  36  -5.193 -10.509 -11.926
  302    HA   PRO  37           HA       PRO  37  -3.251 -16.118 -10.521
  303   1HB   PRO  37          1HB       PRO  37  -5.517 -17.340 -11.447
  304   2HB   PRO  37          2HB       PRO  37  -5.049 -17.344  -9.735
  305   1HG   PRO  37          1HG       PRO  37  -7.069 -15.679 -11.141
  306   2HG   PRO  37          2HG       PRO  37  -7.118 -16.385  -9.519
  307   1HD   PRO  37          1HD       PRO  37  -6.556 -13.754 -10.023
  308   2HD   PRO  37          2HD       PRO  37  -5.997 -14.632  -8.582
  309    H    ASN  38           H        ASN  38  -2.450 -16.532 -12.630
  310    HA   ASN  38           HA       ASN  38  -3.607 -14.856 -14.825
  311   1HB   ASN  38          1HB       ASN  38  -1.100 -14.947 -13.960
  312   2HB   ASN  38          2HB       ASN  38  -1.019 -16.363 -15.009
  313   1HD2  ASN  38          2HD2      ASN  38  -2.006 -15.902 -17.355
  314   2HD2  ASN  38          1HD2      ASN  38  -1.611 -14.392 -18.020
  315    HA   PRO  39           HA       PRO  39  -5.160 -18.837 -16.281
  316   1HB   PRO  39          1HB       PRO  39  -6.538 -17.887 -18.445
  317   2HB   PRO  39          2HB       PRO  39  -7.164 -17.799 -16.786
  318   1HG   PRO  39          1HG       PRO  39  -5.885 -15.685 -18.439
  319   2HG   PRO  39          2HG       PRO  39  -7.234 -15.566 -17.301
  320   1HD   PRO  39          1HD       PRO  39  -4.681 -14.793 -16.714
  321   2HD   PRO  39          2HD       PRO  39  -5.858 -15.328 -15.494
  322    H    PHE  40           H        PHE  40  -2.791 -19.296 -16.885
  323    HA   PHE  40           HA       PHE  40  -2.532 -19.401 -19.846
  324   1HB   PHE  40          1HB       PHE  40  -1.539 -17.259 -19.084
  325   2HB   PHE  40          2HB       PHE  40  -0.487 -18.148 -17.983
  326    HD1  PHE  40           HD1      PHE  40  -1.006 -17.047 -21.397
  327    HD2  PHE  40           HD2      PHE  40   1.172 -19.805 -18.929
  328    HE1  PHE  40           HE1      PHE  40   0.622 -17.406 -23.234
  329    HE2  PHE  40           HE2      PHE  40   2.799 -20.163 -20.763
  330    HZ   PHE  40           HZ       PHE  40   2.525 -18.964 -22.917
  331    H    SER  41           H        SER  41  -0.553 -20.003 -16.865
  332    HA   SER  41           HA       SER  41   0.098 -22.709 -17.991
  333   1HB   SER  41          1HB       SER  41   1.545 -20.605 -16.479
  334   2HB   SER  41          2HB       SER  41   1.899 -22.261 -15.996
  335    HG   SER  41           HG       SER  41   2.631 -22.697 -17.997
  336    H    GLU  42           H        GLU  42   0.114 -24.532 -16.430
  337    HA   GLU  42           HA       GLU  42  -1.917 -24.146 -14.271
  338   1HB   GLU  42          1HB       GLU  42  -0.825 -26.442 -15.873
  339   2HB   GLU  42          2HB       GLU  42  -1.611 -26.774 -14.329
  340   1HG   GLU  42          1HG       GLU  42  -3.655 -25.741 -15.050
  341   2HG   GLU  42          2HG       GLU  42  -2.884 -25.086 -16.495
  342    H    SER  43           H        SER  43   1.442 -25.365 -14.718
  343    HA   SER  43           HA       SER  43   1.926 -26.284 -12.068
  344   1HB   SER  43          1HB       SER  43   3.790 -24.870 -14.008
  345   2HB   SER  43          2HB       SER  43   4.320 -25.787 -12.601
  346    HG   SER  43           HG       SER  43   4.345 -27.082 -14.460
  347    H    GLY  44           H        GLY  44   2.103 -22.932 -13.362
  348   1HA   GLY  44          2HA       GLY  44   2.416 -20.895 -12.232
  349   2HA   GLY  44          1HA       GLY  44   3.129 -21.805 -10.899
  350    H    GLY  45           H        GLY  45   1.549 -19.791 -10.041
  351   1HA   GLY  45          2HA       GLY  45  -0.219 -20.536  -8.228
  352   2HA   GLY  45          1HA       GLY  45  -1.193 -20.885  -9.657
  353    H    ASP  46           H        ASP  46   0.092 -18.336  -7.602
  354    HA   ASP  46           HA       ASP  46  -1.276 -16.289  -9.321
  355   1HB   ASP  46          1HB       ASP  46  -1.536 -16.980  -6.397
  356   2HB   ASP  46          2HB       ASP  46  -1.906 -15.349  -6.960
  357    H    MET  47           H        MET  47  -0.252 -14.201  -9.310
  358    HA   MET  47           HA       MET  47   2.404 -14.106  -7.909
  359   1HB   MET  47          1HB       MET  47   1.989 -14.128 -10.543
  360   2HB   MET  47          2HB       MET  47   1.700 -12.409 -10.275
  361   1HG   MET  47          1HG       MET  47   3.894 -12.230  -9.135
  362   2HG   MET  47          2HG       MET  47   4.188 -13.938  -9.458
  363   1HE   MET  47          1HE       MET  47   3.707 -14.943 -11.521
  364   2HE   MET  47          3HE       MET  47   2.988 -14.042 -12.863
  365   3HE   MET  47          2HE       MET  47   4.689 -14.497 -12.915
  366    H    LYS  48           H        LYS  48   2.965 -12.101  -6.841
  367    HA   LYS  48           HA       LYS  48   0.733 -10.105  -6.633
  368   1HB   LYS  48          1HB       LYS  48   1.306  -9.960  -4.217
  369   2HB   LYS  48          2HB       LYS  48   0.796 -11.584  -4.674
  370   1HG   LYS  48          1HG       LYS  48   2.866 -12.482  -4.310
  371   2HG   LYS  48          2HG       LYS  48   3.707 -11.048  -4.892
  372   1HD   LYS  48          1HD       LYS  48   3.648 -10.002  -2.828
  373   2HD   LYS  48          2HD       LYS  48   2.171 -10.831  -2.336
  374   1HE   LYS  48          1HE       LYS  48   4.477 -12.632  -2.787
  375   2HE   LYS  48          2HE       LYS  48   4.659 -11.513  -1.420
  376   1HZ   LYS  48          3HZ       LYS  48   2.352 -12.134  -0.765
  377   2HZ   LYS  48          2HZ       LYS  48   2.390 -13.357  -1.943
  378   3HZ   LYS  48          1HZ       LYS  48   3.470 -13.403  -0.632
  379    H    GLU  49           H        GLU  49   1.417  -7.890  -6.396
  380    HA   GLU  49           HA       GLU  49   4.369  -7.411  -6.619
  381   1HB   GLU  49          1HB       GLU  49   2.110  -6.770  -8.421
  382   2HB   GLU  49          2HB       GLU  49   3.207  -5.422  -8.117
  383   1HG   GLU  49          1HG       GLU  49   4.973  -6.437  -9.176
  384   2HG   GLU  49          2HG       GLU  49   4.466  -8.057  -8.694
  385    H    TRP  50           H        TRP  50   5.019  -5.271  -5.741
  386    HA   TRP  50           HA       TRP  50   3.088  -4.301  -3.676
  387   1HB   TRP  50          1HB       TRP  50   6.055  -3.798  -4.101
  388   2HB   TRP  50          2HB       TRP  50   5.121  -3.253  -2.709
  389    HD1  TRP  50           HD1      TRP  50   7.304  -5.954  -3.688
  390    HE1  TRP  50           HE1      TRP  50   6.969  -8.042  -2.219
  391    HE3  TRP  50           HE3      TRP  50   2.857  -4.768  -1.456
  392    HZ2  TRP  50           HZ2      TRP  50   5.072  -9.077  -0.346
  393    HZ3  TRP  50           HZ3      TRP  50   1.815  -6.322   0.167
  394    HH2  TRP  50           HH2      TRP  50   2.915  -8.474   0.723
  395    H    TYR  51           H        TYR  51   2.746  -1.942  -3.424
  396    HA   TYR  51           HA       TYR  51   3.383  -0.340  -5.875
  397   1HB   TYR  51          1HB       TYR  51   0.739  -0.729  -4.440
  398   2HB   TYR  51          2HB       TYR  51   1.011   0.530  -5.643
  399    HD1  TYR  51           HD1      TYR  51   1.437  -0.051  -8.012
  400    HD2  TYR  51           HD2      TYR  51   0.546  -3.054  -5.069
  401    HE1  TYR  51           HE1      TYR  51   0.936  -1.676  -9.813
  402    HE2  TYR  51           HE2      TYR  51   0.049  -4.681  -6.866
  403    HH   TYR  51           HH       TYR  51  -0.732  -4.080  -9.717
  404    H    HIS  52           H        HIS  52   2.818   2.083  -5.395
  405    HA   HIS  52           HA       HIS  52   3.970   2.795  -2.729
  406   1HB   HIS  52          1HB       HIS  52   3.740   3.970  -5.419
  407   2HB   HIS  52          2HB       HIS  52   3.458   5.140  -4.138
  408    HD2  HIS  52           HD2      HIS  52   5.771   4.109  -2.002
  409    HE1  HIS  52           HE1      HIS  52   8.474   4.418  -5.249
  410    HE2  HIS  52           HE2      HIS  52   8.250   4.249  -2.748
  411    H    ILE  53           H        ILE  53   2.721   5.195  -2.121
  412    HA   ILE  53           HA       ILE  53   0.000   4.285  -1.381
  413    HB   ILE  53           HB       ILE  53   1.576   6.830  -0.836
  414   1HG1  ILE  53          1HG1      ILE  53   2.500   4.760   0.175
  415   2HG1  ILE  53          2HG1      ILE  53   1.877   5.856   1.405
  416   1HG2  ILE  53          3HG2      ILE  53  -1.203   6.460  -0.609
  417   2HG2  ILE  53          2HG2      ILE  53  -0.587   6.257   1.029
  418   3HG2  ILE  53          1HG2      ILE  53  -0.242   7.736   0.138
  419   1HD1  ILE  53          2HD1      ILE  53  -0.333   4.284   0.717
  420   2HD1  ILE  53          1HD1      ILE  53   1.016   3.148   0.744
  421   3HD1  ILE  53          3HD1      ILE  53   0.651   4.120   2.171
  422    H    LYS  54           H        LYS  54   1.268   7.274  -2.997
  423    HA   LYS  54           HA       LYS  54  -1.362   7.895  -4.108
  424   1HB   LYS  54          1HB       LYS  54   1.433   8.969  -4.381
  425   2HB   LYS  54          2HB       LYS  54   0.186   9.513  -5.503
  426   1HG   LYS  54          1HG       LYS  54  -0.243   9.544  -2.514
  427   2HG   LYS  54          2HG       LYS  54   0.497  10.902  -3.361
  428   1HD   LYS  54          1HD       LYS  54  -1.474  11.123  -4.796
  429   2HD   LYS  54          2HD       LYS  54  -2.212   9.715  -4.031
  430   1HE   LYS  54          1HE       LYS  54  -2.764  10.876  -2.118
  431   2HE   LYS  54          2HE       LYS  54  -1.334  11.922  -2.219
  432   1HZ   LYS  54          2HZ       LYS  54  -3.608  12.018  -4.129
  433   2HZ   LYS  54          1HZ       LYS  54  -3.437  13.073  -2.808
  434   3HZ   LYS  54          3HZ       LYS  54  -2.289  13.086  -4.057
  435    H    CYS  55           H        CYS  55   1.427   6.050  -5.317
  436    HA   CYS  55           HA       CYS  55   0.707   6.145  -8.114
  437   1HB   CYS  55          1HB       CYS  55   2.140   3.972  -6.550
  438   2HB   CYS  55          2HB       CYS  55   2.167   4.149  -8.301
  439    H    MET  56           H        MET  56   0.031   3.630  -5.631
  440    HA   MET  56           HA       MET  56  -1.684   2.097  -7.418
  441   1HB   MET  56          1HB       MET  56  -0.486   1.667  -4.967
  442   2HB   MET  56          2HB       MET  56  -2.180   1.853  -4.513
  443   1HG   MET  56          1HG       MET  56  -1.277   0.029  -6.752
  444   2HG   MET  56          2HG       MET  56  -1.453  -0.521  -5.086
  445   1HE   MET  56          2HE       MET  56  -3.014  -1.384  -4.195
  446   2HE   MET  56          1HE       MET  56  -4.298  -0.244  -3.802
  447   3HE   MET  56          3HE       MET  56  -4.655  -1.689  -4.756
  448    H    PHE  57           H        PHE  57  -2.331   4.591  -4.925
  449    HA   PHE  57           HA       PHE  57  -5.230   4.378  -5.205
  450   1HB   PHE  57          1HB       PHE  57  -3.283   6.199  -3.851
  451   2HB   PHE  57          2HB       PHE  57  -4.902   6.831  -4.144
  452    HD1  PHE  57           HD1      PHE  57  -2.905   4.841  -1.962
  453    HD2  PHE  57           HD2      PHE  57  -6.899   5.258  -3.479
  454    HE1  PHE  57           HE1      PHE  57  -3.757   3.532  -0.053
  455    HE2  PHE  57           HE2      PHE  57  -7.758   3.945  -1.563
  456    HZ   PHE  57           HZ       PHE  57  -6.191   3.081   0.150
  457    H    GLU  58           H        GLU  58  -2.700   6.206  -6.932
  458    HA   GLU  58           HA       GLU  58  -4.507   8.087  -8.207
  459   1HB   GLU  58          1HB       GLU  58  -2.071   8.434  -8.118
  460   2HB   GLU  58          2HB       GLU  58  -1.811   6.979  -9.080
  461   1HG   GLU  58          1HG       GLU  58  -1.659   8.879 -10.566
  462   2HG   GLU  58          2HG       GLU  58  -3.180   8.056 -10.911
  463    H    LYS  59           H        LYS  59  -3.402   4.782  -9.058
  464    HA   LYS  59           HA       LYS  59  -4.487   4.674 -11.711
  465   1HB   LYS  59          1HB       LYS  59  -3.000   2.961 -10.625
  466   2HB   LYS  59          2HB       LYS  59  -4.373   2.444  -9.647
  467   1HG   LYS  59          1HG       LYS  59  -5.542   1.603 -11.507
  468   2HG   LYS  59          2HG       LYS  59  -4.586   2.549 -12.650
  469   1HD   LYS  59          1HD       LYS  59  -2.772   1.099 -12.545
  470   2HD   LYS  59          2HD       LYS  59  -3.199   0.518 -10.935
  471   1HE   LYS  59          1HE       LYS  59  -5.112  -0.033 -13.179
  472   2HE   LYS  59          2HE       LYS  59  -3.639  -1.015 -13.061
  473   1HZ   LYS  59          3HZ       LYS  59  -5.445  -0.468 -10.768
  474   2HZ   LYS  59          2HZ       LYS  59  -5.534  -1.875 -11.717
  475   3HZ   LYS  59          1HZ       LYS  59  -4.138  -1.547 -10.807
  476    H    LEU  60           H        LEU  60  -6.051   4.056  -8.544
  477    HA   LEU  60           HA       LEU  60  -8.595   3.176  -9.575
  478   1HB   LEU  60          1HB       LEU  60  -7.562   4.365  -7.022
  479   2HB   LEU  60          2HB       LEU  60  -9.311   4.353  -7.265
  480    HG   LEU  60           HG       LEU  60  -9.098   1.884  -7.835
  481   1HD1  LEU  60          1HD1      LEU  60  -6.331   2.367  -6.688
  482   2HD1  LEU  60          3HD1      LEU  60  -7.038   0.775  -6.964
  483   3HD1  LEU  60          2HD1      LEU  60  -6.705   1.841  -8.329
  484   1HD2  LEU  60          3HD2      LEU  60  -8.435   3.003  -5.108
  485   2HD2  LEU  60          2HD2      LEU  60  -9.981   2.390  -5.693
  486   3HD2  LEU  60          1HD2      LEU  60  -8.658   1.272  -5.360
  487    H    GLU  61           H        GLU  61  -7.353   6.465  -8.811
  488    HA   GLU  61           HA       GLU  61  -9.741   7.937  -9.372
  489   1HB   GLU  61          1HB       GLU  61  -7.605   8.843  -8.401
  490   2HB   GLU  61          2HB       GLU  61  -6.876   8.731 -10.004
  491   1HG   GLU  61          1HG       GLU  61  -8.267  10.406 -10.892
  492   2HG   GLU  61          2HG       GLU  61  -9.455  10.232  -9.601
  493    H    ARG  62           H        ARG  62  -7.308   6.544 -11.587
  494    HA   ARG  62           HA       ARG  62  -8.830   7.634 -13.921
  495   1HB   ARG  62          1HB       ARG  62  -6.060   6.500 -13.477
  496   2HB   ARG  62          2HB       ARG  62  -6.718   6.697 -15.104
  497   1HG   ARG  62          1HG       ARG  62  -6.703   9.007 -14.983
  498   2HG   ARG  62          2HG       ARG  62  -6.904   9.020 -13.231
  499   1HD   ARG  62          1HD       ARG  62  -4.498   7.900 -13.260
  500   2HD   ARG  62          2HD       ARG  62  -4.394   8.700 -14.841
  501    HE   ARG  62           HE       ARG  62  -5.032  10.146 -12.297
  502   1HH1  ARG  62          1HH1      ARG  62  -5.833  11.953 -14.255
  503   2HH1  ARG  62          2HH1      ARG  62  -4.390  12.713 -14.837
  504   1HH2  ARG  62          1HH2      ARG  62  -2.279  10.264 -13.584
  505   2HH2  ARG  62          2HH2      ARG  62  -2.377  11.756 -14.457
  506    H    ALA  63           H        ALA  63  -9.771   5.259 -12.218
  507    HA   ALA  63           HA       ALA  63  -9.544   3.086 -14.274
  508   1HB   ALA  63          3HB       ALA  63  -8.752   2.675 -11.924
  509   2HB   ALA  63          1HB       ALA  63 -10.060   1.595 -12.407
  510   3HB   ALA  63          2HB       ALA  63 -10.396   2.974 -11.360
  511    H    ARG  64           H        ARG  64 -11.653   1.730 -14.449
  512    HA   ARG  64           HA       ARG  64 -13.857   3.429 -15.202
  513   1HB   ARG  64          1HB       ARG  64 -13.645   0.456 -14.620
  514   2HB   ARG  64          2HB       ARG  64 -15.101   1.204 -15.278
  515   1HG   ARG  64          1HG       ARG  64 -13.255   2.236 -16.970
  516   2HG   ARG  64          2HG       ARG  64 -12.480   0.700 -16.580
  517   1HD   ARG  64          1HD       ARG  64 -13.821  -0.087 -18.276
  518   2HD   ARG  64          2HD       ARG  64 -15.056  -0.124 -17.002
  519    HE   ARG  64           HE       ARG  64 -14.696   2.118 -18.947
  520   1HH1  ARG  64          1HH1      ARG  64 -16.050   3.758 -17.508
  521   2HH1  ARG  64          2HH1      ARG  64 -17.679   3.208 -17.297
  522   1HH2  ARG  64          1HH2      ARG  64 -16.985  -0.049 -18.264
  523   2HH2  ARG  64          2HH2      ARG  64 -18.209   1.053 -17.725
  524    H    ALA  65           H        ALA  65 -15.947   3.725 -14.148
  525    HA   ALA  65           HA       ALA  65 -15.759   3.744 -11.188
  526   1HB   ALA  65          3HB       ALA  65 -16.645   5.701 -12.316
  527   2HB   ALA  65          1HB       ALA  65 -17.970   4.944 -11.432
  528   3HB   ALA  65          2HB       ALA  65 -17.834   4.722 -13.176
  529    H    THR  66           H        THR  66 -17.606   2.003 -13.720
  530    HA   THR  66           HA       THR  66 -19.657   0.807 -12.211
  531    HB   THR  66           HB       THR  66 -19.197  -1.200 -13.818
  532    HG1  THR  66           HG1      THR  66 -17.083  -0.876 -14.288
  533   1HG2  THR  66          3HG2      THR  66 -19.677   1.634 -14.766
  534   2HG2  THR  66          2HG2      THR  66 -19.915   0.216 -15.786
  535   3HG2  THR  66          1HG2      THR  66 -20.891   0.430 -14.333
  536    H    THR  67           H        THR  67 -16.187  -0.115 -12.234
  537    HA   THR  67           HA       THR  67 -16.813  -2.233 -10.202
  538    HB   THR  67           HB       THR  67 -14.320  -2.803 -10.904
  539    HG1  THR  67           HG1      THR  67 -13.852  -1.107 -12.183
  540   1HG2  THR  67          3HG2      THR  67 -16.816  -3.245 -12.550
  541   2HG2  THR  67          2HG2      THR  67 -15.286  -4.039 -12.925
  542   3HG2  THR  67          1HG2      THR  67 -16.080  -4.340 -11.378
  543    H    LYS  68           H        LYS  68 -15.859  -2.070  -8.124
  544    HA   LYS  68           HA       LYS  68 -14.195   0.383  -7.638
  545   1HB   LYS  68          1HB       LYS  68 -16.087  -1.186  -5.853
  546   2HB   LYS  68          2HB       LYS  68 -15.177   0.238  -5.349
  547   1HG   LYS  68          1HG       LYS  68 -16.813   0.492  -7.826
  548   2HG   LYS  68          2HG       LYS  68 -17.686   0.409  -6.295
  549   1HD   LYS  68          1HD       LYS  68 -16.764   2.388  -5.502
  550   2HD   LYS  68          2HD       LYS  68 -15.322   2.239  -6.506
  551   1HE   LYS  68          1HE       LYS  68 -16.305   3.292  -8.283
  552   2HE   LYS  68          2HE       LYS  68 -17.867   2.495  -8.009
  553   1HZ   LYS  68          1HZ       LYS  68 -16.738   4.622  -6.267
  554   2HZ   LYS  68          3HZ       LYS  68 -17.902   4.895  -7.469
  555   3HZ   LYS  68          2HZ       LYS  68 -18.276   3.911  -6.136
  556    H    LYS  69           H        LYS  69 -12.240   0.111  -6.420
  557    HA   LYS  69           HA       LYS  69 -11.523  -2.729  -5.754
  558   1HB   LYS  69          1HB       LYS  69 -10.197  -0.547  -7.278
  559   2HB   LYS  69          2HB       LYS  69  -9.148  -1.522  -6.249
  560   1HG   LYS  69          1HG       LYS  69 -11.112  -3.021  -7.897
  561   2HG   LYS  69          2HG       LYS  69  -9.801  -2.235  -8.776
  562   1HD   LYS  69          1HD       LYS  69  -8.185  -3.313  -7.163
  563   2HD   LYS  69          2HD       LYS  69  -9.543  -4.233  -6.513
  564   1HE   LYS  69          1HE       LYS  69  -8.709  -5.715  -8.132
  565   2HE   LYS  69          2HE       LYS  69  -9.938  -4.844  -9.069
  566   1HZ   LYS  69          1HZ       LYS  69  -8.237  -3.251  -9.740
  567   2HZ   LYS  69          3HZ       LYS  69  -7.061  -4.121  -8.881
  568   3HZ   LYS  69          2HZ       LYS  69  -7.819  -4.824 -10.230
  569    H    ILE  70           H        ILE  70 -10.699  -3.050  -3.656
  570    HA   ILE  70           HA       ILE  70 -10.127  -2.538  -1.431
  571    HB   ILE  70           HB       ILE  70  -8.895  -0.172  -2.885
  572   1HG1  ILE  70          1HG1      ILE  70  -7.689  -2.845  -2.105
  573   2HG1  ILE  70          2HG1      ILE  70  -8.251  -2.447  -3.729
  574   1HG2  ILE  70          2HG2      ILE  70  -8.765  -1.157  -0.081
  575   2HG2  ILE  70          1HG2      ILE  70  -7.235  -0.681  -0.815
  576   3HG2  ILE  70          3HG2      ILE  70  -8.560   0.478  -0.709
  577   1HD1  ILE  70          1HD1      ILE  70  -6.390  -0.502  -2.469
  578   2HD1  ILE  70          3HD1      ILE  70  -5.700  -2.058  -2.934
  579   3HD1  ILE  70          2HD1      ILE  70  -6.487  -1.046  -4.145
  580    H    GLU  71           H        GLU  71 -12.107  -2.077  -0.363
  581    HA   GLU  71           HA       GLU  71 -13.092   0.755  -0.520
  582   1HB   GLU  71          1HB       GLU  71 -14.362  -1.930   0.037
  583   2HB   GLU  71          2HB       GLU  71 -15.175  -0.433   0.494
  584   1HG   GLU  71          1HG       GLU  71 -15.291   0.318  -1.758
  585   2HG   GLU  71          2HG       GLU  71 -14.124  -0.890  -2.302
  586    H    ASP  72           H        ASP  72 -13.241   1.954   1.444
  587    HA   ASP  72           HA       ASP  72 -12.731   2.506   3.681
  588   1HB   ASP  72          1HB       ASP  72 -14.525   0.457   3.602
  589   2HB   ASP  72          2HB       ASP  72 -13.240  -0.284   4.557
  590    H    LEU  73           H        LEU  73 -11.477   1.200   5.769
  591    HA   LEU  73           HA       LEU  73  -8.897   0.275   4.544
  592   1HB   LEU  73          1HB       LEU  73  -9.078   2.559   5.701
  593   2HB   LEU  73          2HB       LEU  73  -9.283   1.662   7.205
  594    HG   LEU  73           HG       LEU  73  -7.128   0.491   6.767
  595   1HD1  LEU  73          2HD1      LEU  73  -7.145   2.317   4.356
  596   2HD1  LEU  73          1HD1      LEU  73  -5.657   1.620   4.995
  597   3HD1  LEU  73          3HD1      LEU  73  -6.936   0.567   4.392
  598   1HD2  LEU  73          1HD2      LEU  73  -7.250   2.596   8.118
  599   2HD2  LEU  73          3HD2      LEU  73  -5.697   2.388   7.308
  600   3HD2  LEU  73          2HD2      LEU  73  -6.887   3.511   6.655
  601    H    THR  74           H        THR  74 -11.081  -1.565   5.269
  602    HA   THR  74           HA       THR  74  -9.602  -3.181   7.282
  603    HB   THR  74           HB       THR  74 -12.227  -3.493   8.087
  604    HG1  THR  74           HG1      THR  74 -13.056  -1.813   6.980
  605   1HG2  THR  74          3HG2      THR  74  -9.919  -1.838   9.045
  606   2HG2  THR  74          2HG2      THR  74 -11.467  -1.715   9.881
  607   3HG2  THR  74          1HG2      THR  74 -10.645  -3.272   9.774
  608    H    GLU  75           H        GLU  75 -10.042  -3.501   4.358
  609    HA   GLU  75           HA       GLU  75 -11.579  -6.074   4.436
  610   1HB   GLU  75          1HB       GLU  75 -12.535  -3.851   3.306
  611   2HB   GLU  75          2HB       GLU  75 -11.498  -4.370   1.978
  612   1HG   GLU  75          1HG       GLU  75 -12.609  -6.693   2.298
  613   2HG   GLU  75          2HG       GLU  75 -13.841  -5.815   3.203
  614    H    LEU  76           H        LEU  76  -8.571  -5.464   4.583
  615    HA   LEU  76           HA       LEU  76  -7.776  -7.120   2.225
  616   1HB   LEU  76          1HB       LEU  76  -6.476  -4.586   3.286
  617   2HB   LEU  76          2HB       LEU  76  -5.771  -5.618   2.044
  618    HG   LEU  76           HG       LEU  76  -8.468  -4.243   1.830
  619   1HD1  LEU  76          1HD1      LEU  76  -6.094  -2.971   1.712
  620   2HD1  LEU  76          3HD1      LEU  76  -6.174  -3.566   0.053
  621   3HD1  LEU  76          2HD1      LEU  76  -7.456  -2.529   0.680
  622   1HD2  LEU  76          2HD2      LEU  76  -7.047  -6.291   0.239
  623   2HD2  LEU  76          1HD2      LEU  76  -8.762  -5.896   0.283
  624   3HD2  LEU  76          3HD2      LEU  76  -7.663  -4.936  -0.704
  625    H    GLU  77           H        GLU  77  -5.853  -8.456   2.689
  626    HA   GLU  77           HA       GLU  77  -5.602  -9.128   5.556
  627   1HB   GLU  77          1HB       GLU  77  -5.684 -10.828   3.722
  628   2HB   GLU  77          2HB       GLU  77  -4.143 -10.212   3.120
  629   1HG   GLU  77          1HG       GLU  77  -3.168 -10.693   5.406
  630   2HG   GLU  77          2HG       GLU  77  -4.676 -11.519   5.801
  631    H    GLY  78           H        GLY  78  -4.390  -7.533   6.692
  632   1HA   GLY  78          2HA       GLY  78  -1.944  -6.447   5.463
  633   2HA   GLY  78          1HA       GLY  78  -1.669  -7.526   6.824
  634    H    TRP  79           H        TRP  79  -4.356  -5.154   6.478
  635    HA   TRP  79           HA       TRP  79  -3.189  -3.056   8.020
  636   1HB   TRP  79          1HB       TRP  79  -5.494  -2.280   8.350
  637   2HB   TRP  79          2HB       TRP  79  -5.287  -2.870   6.706
  638    HD1  TRP  79           HD1      TRP  79  -6.785  -4.811   5.931
  639    HE1  TRP  79           HE1      TRP  79  -8.628  -6.227   7.045
  640    HE3  TRP  79           HE3      TRP  79  -6.208  -3.342  10.784
  641    HZ2  TRP  79           HZ2      TRP  79  -9.719  -6.672   9.651
  642    HZ3  TRP  79           HZ3      TRP  79  -7.665  -4.271  12.561
  643    HH2  TRP  79           HH2      TRP  79  -9.418  -5.931  12.000
  644    H    GLU  80           H        GLU  80  -4.751  -6.068   9.146
  645    HA   GLU  80           HA       GLU  80  -5.187  -5.433  11.877
  646   1HB   GLU  80          1HB       GLU  80  -5.564  -7.624  10.471
  647   2HB   GLU  80          2HB       GLU  80  -3.959  -8.061  11.058
  648   1HG   GLU  80          1HG       GLU  80  -4.804  -7.541  13.401
  649   2HG   GLU  80          2HG       GLU  80  -6.422  -7.447  12.704
  650    H    GLU  81           H        GLU  81  -2.091  -6.202  10.238
  651    HA   GLU  81           HA       GLU  81  -0.591  -6.277  12.776
  652   1HB   GLU  81          1HB       GLU  81  -0.119  -7.459  10.480
  653   2HB   GLU  81          2HB       GLU  81   0.625  -5.922  10.039
  654   1HG   GLU  81          1HG       GLU  81   1.827  -6.194  12.380
  655   2HG   GLU  81          2HG       GLU  81   1.464  -7.902  12.125
  656    H    LEU  82           H        LEU  82  -1.155  -3.882  10.166
  657    HA   LEU  82           HA       LEU  82   0.776  -1.924  10.809
  658   1HB   LEU  82          1HB       LEU  82  -1.676  -2.066   9.316
  659   2HB   LEU  82          2HB       LEU  82  -1.734  -0.602  10.289
  660    HG   LEU  82           HG       LEU  82   0.761  -0.338   9.428
  661   1HD1  LEU  82          3HD1      LEU  82   0.755  -2.511   8.236
  662   2HD1  LEU  82          2HD1      LEU  82  -0.580  -1.946   7.232
  663   3HD1  LEU  82          1HD1      LEU  82   0.997  -1.164   7.124
  664   1HD2  LEU  82          1HD2      LEU  82  -1.121   1.232   9.031
  665   2HD2  LEU  82          3HD2      LEU  82  -0.115   1.053   7.594
  666   3HD2  LEU  82          2HD2      LEU  82  -1.666   0.221   7.692
  667    H    GLU  83           H        GLU  83   0.089   0.349  11.888
  668    HA   GLU  83           HA       GLU  83  -0.918  -0.331  14.629
  669   1HB   GLU  83          1HB       GLU  83   1.391   0.829  13.853
  670   2HB   GLU  83          2HB       GLU  83   0.387   2.273  13.993
  671   1HG   GLU  83          1HG       GLU  83  -0.139   1.783  16.290
  672   2HG   GLU  83          2HG       GLU  83   0.600   0.185  16.176
  673    H    ASP  84           H        ASP  84  -2.345   1.309  15.707
  674    HA   ASP  84           HA       ASP  84  -4.575   2.098  14.085
  675   1HB   ASP  84          1HB       ASP  84  -3.636   3.128  16.785
  676   2HB   ASP  84          2HB       ASP  84  -5.246   3.396  16.115
  677    H    ASN  85           H        ASN  85  -1.852   4.068  15.358
  678    HA   ASN  85           HA       ASN  85  -2.725   6.568  14.231
  679   1HB   ASN  85          1HB       ASN  85   0.048   5.492  14.855
  680   2HB   ASN  85          2HB       ASN  85  -0.285   7.180  14.464
  681   1HD2  ASN  85          2HD2      ASN  85   0.580   5.747  17.120
  682   2HD2  ASN  85          1HD2      ASN  85  -0.528   6.352  18.254
  683    H    GLU  86           H        GLU  86  -0.470   4.096  12.922
  684    HA   GLU  86           HA       GLU  86  -0.037   5.441  10.398
  685   1HB   GLU  86          1HB       GLU  86   0.299   2.654  11.471
  686   2HB   GLU  86          2HB       GLU  86   0.439   2.908   9.730
  687   1HG   GLU  86          1HG       GLU  86   2.341   4.218   9.934
  688   2HG   GLU  86          2HG       GLU  86   1.924   4.753  11.561
  689    H    LYS  87           H        LYS  87  -2.430   2.993  11.454
  690    HA   LYS  87           HA       LYS  87  -3.672   2.588   8.890
  691   1HB   LYS  87          1HB       LYS  87  -3.985   1.201  10.978
  692   2HB   LYS  87          2HB       LYS  87  -4.977   2.504  11.632
  693   1HG   LYS  87          1HG       LYS  87  -6.654   2.209   9.990
  694   2HG   LYS  87          2HG       LYS  87  -5.586   1.270   8.947
  695   1HD   LYS  87          1HD       LYS  87  -5.822  -0.658  10.202
  696   2HD   LYS  87          2HD       LYS  87  -6.139   0.226  11.694
  697   1HE   LYS  87          1HE       LYS  87  -8.179   0.646   9.594
  698   2HE   LYS  87          2HE       LYS  87  -8.092  -1.013  10.220
  699   1HZ   LYS  87          3HZ       LYS  87  -8.093  -0.101  12.476
  700   2HZ   LYS  87          2HZ       LYS  87  -8.269   1.467  11.849
  701   3HZ   LYS  87          1HZ       LYS  87  -9.505   0.320  11.639
  702    H    GLU  88           H        GLU  88  -4.282   5.013  11.458
  703    HA   GLU  88           HA       GLU  88  -6.647   6.172  10.290
  704   1HB   GLU  88          1HB       GLU  88  -5.540   6.537  12.615
  705   2HB   GLU  88          2HB       GLU  88  -4.541   7.739  11.795
  706   1HG   GLU  88          1HG       GLU  88  -6.505   8.986  11.107
  707   2HG   GLU  88          2HG       GLU  88  -7.571   7.731  11.739
  708    H    GLN  89           H        GLN  89  -3.163   6.918   9.789
  709    HA   GLN  89           HA       GLN  89  -3.630   9.165   8.016
  710   1HB   GLN  89          1HB       GLN  89  -1.331   7.311   8.607
  711   2HB   GLN  89          2HB       GLN  89  -1.205   8.449   7.265
  712   1HG   GLN  89          1HG       GLN  89  -1.455  10.330   8.693
  713   2HG   GLN  89          2HG       GLN  89  -2.039   9.337  10.028
  714   1HE2  GLN  89          1HE2      GLN  89  -0.456   8.721  11.562
  715   2HE2  GLN  89          2HE2      GLN  89   1.216   8.761  11.271
  716    H    ILE  90           H        ILE  90  -3.247   5.657   7.422
  717    HA   ILE  90           HA       ILE  90  -3.207   5.875   4.527
  718    HB   ILE  90           HB       ILE  90  -4.059   3.600   6.364
  719   1HG1  ILE  90          1HG1      ILE  90  -1.725   4.325   6.719
  720   2HG1  ILE  90          2HG1      ILE  90  -1.770   2.748   5.939
  721   1HG2  ILE  90          2HG2      ILE  90  -4.880   3.413   3.989
  722   2HG2  ILE  90          1HG2      ILE  90  -3.199   3.465   3.459
  723   3HG2  ILE  90          3HG2      ILE  90  -3.766   2.130   4.462
  724   1HD1  ILE  90          1HD1      ILE  90  -1.517   3.941   3.719
  725   2HD1  ILE  90          3HD1      ILE  90  -1.232   5.426   4.627
  726   3HD1  ILE  90          2HD1      ILE  90  -0.117   4.068   4.783
  727    H    THR  91           H        THR  91  -5.859   5.491   6.927
  728    HA   THR  91           HA       THR  91  -7.999   5.067   5.068
  729    HB   THR  91           HB       THR  91  -8.510   6.784   7.450
  730    HG1  THR  91           HG1      THR  91  -7.956   5.179   8.870
  731   1HG2  THR  91          3HG2      THR  91  -9.720   4.494   6.002
  732   2HG2  THR  91          2HG2      THR  91  -9.973   4.523   7.747
  733   3HG2  THR  91          1HG2      THR  91 -10.495   5.887   6.759
  734    H    GLN  92           H        GLN  92  -6.493   8.105   6.227
  735    HA   GLN  92           HA       GLN  92  -8.312   9.971   5.061
  736   1HB   GLN  92          1HB       GLN  92  -5.411   9.943   5.799
  737   2HB   GLN  92          2HB       GLN  92  -5.979  11.281   4.799
  738   1HG   GLN  92          1HG       GLN  92  -7.482  10.476   7.283
  739   2HG   GLN  92          2HG       GLN  92  -6.087  11.553   7.383
  740   1HE2  GLN  92          1HE2      GLN  92  -9.239  11.961   7.583
  741   2HE2  GLN  92          2HE2      GLN  92  -9.481  13.322   6.598
  742    H    HIS  93           H        HIS  93  -5.609   8.164   3.546
  743    HA   HIS  93           HA       HIS  93  -5.565   9.533   1.028
  744   1HB   HIS  93          1HB       HIS  93  -4.385   7.202   2.179
  745   2HB   HIS  93          2HB       HIS  93  -5.157   6.673   0.688
  746    HD1  HIS  93           HD1      HIS  93  -4.019   7.285  -1.477
  747    HD2  HIS  93           HD2      HIS  93  -2.445   9.361   1.771
  748    HE1  HIS  93           HE1      HIS  93  -1.967   8.500  -2.326
  749    H    ILE  94           H        ILE  94  -7.416   6.563   1.939
  750    HA   ILE  94           HA       ILE  94  -8.846   6.356  -0.546
  751    HB   ILE  94           HB       ILE  94  -9.603   5.512   2.276
  752   1HG1  ILE  94          1HG1      ILE  94  -8.684   3.611   0.173
  753   2HG1  ILE  94          2HG1      ILE  94  -7.467   4.691   0.851
  754   1HG2  ILE  94          1HG2      ILE  94 -11.568   5.580   0.747
  755   2HG2  ILE  94          3HG2      ILE  94 -10.698   4.547  -0.387
  756   3HG2  ILE  94          2HG2      ILE  94 -11.144   3.930   1.204
  757   1HD1  ILE  94          1HD1      ILE  94  -9.308   3.293   2.743
  758   2HD1  ILE  94          3HD1      ILE  94  -8.016   2.355   1.993
  759   3HD1  ILE  94          2HD1      ILE  94  -7.626   3.775   2.964
  760    H    ALA  95           H        ALA  95  -9.565   8.215   2.427
  761    HA   ALA  95           HA       ALA  95 -12.208   9.076   1.713
  762   1HB   ALA  95          1HB       ALA  95 -10.124  10.719   3.186
  763   2HB   ALA  95          3HB       ALA  95 -11.874  10.785   3.389
  764   3HB   ALA  95          2HB       ALA  95 -10.976   9.370   3.934
  765    H    ASP  96           H        ASP  96  -8.996  10.439   0.878
  766    HA   ASP  96           HA       ASP  96 -10.062  12.753  -0.538
  767   1HB   ASP  96          1HB       ASP  96  -7.435  11.283  -0.401
  768   2HB   ASP  96          2HB       ASP  96  -7.668  12.498  -1.659
  769    H    LEU  97           H        LEU  97  -9.014   9.473  -1.581
  770    HA   LEU  97           HA       LEU  97  -9.510   9.860  -4.402
  771   1HB   LEU  97          1HB       LEU  97  -8.195   7.989  -3.413
  772   2HB   LEU  97          2HB       LEU  97  -9.673   7.337  -2.707
  773    HG   LEU  97           HG       LEU  97 -10.490   7.530  -5.263
  774   1HD1  LEU  97          2HD1      LEU  97  -8.061   8.403  -5.734
  775   2HD1  LEU  97          1HD1      LEU  97  -7.623   6.698  -5.629
  776   3HD1  LEU  97          3HD1      LEU  97  -8.787   7.237  -6.840
  777   1HD2  LEU  97          3HD2      LEU  97  -8.819   5.317  -4.028
  778   2HD2  LEU  97          2HD2      LEU  97 -10.574   5.484  -3.953
  779   3HD2  LEU  97          1HD2      LEU  97  -9.787   5.124  -5.490
  780    H    SER  98           H        SER  98 -11.658   8.890  -1.694
  781    HA   SER  98           HA       SER  98 -13.933   8.617  -3.616
  782   1HB   SER  98          1HB       SER  98 -13.529   7.914  -0.690
  783   2HB   SER  98          2HB       SER  98 -15.063   7.704  -1.532
  784    HG   SER  98           HG       SER  98 -14.172   6.171  -2.791
  785    H    SER  99           H        SER  99 -13.555  11.193  -3.758
  786    HA   SER  99           HA       SER  99 -15.447  12.419  -1.789
  787   1HB   SER  99          1HB       SER  99 -13.397  13.131  -0.924
  788   2HB   SER  99          2HB       SER  99 -12.622  13.146  -2.505
  789    HG   SER  99           HG       SER  99 -13.500  15.071  -2.930
  790    H    LYS 100           H        LYS 100 -16.308  14.581  -2.668
  791    HA   LYS 100           HA       LYS 100 -16.152  14.760  -5.651
  792   1HB   LYS 100          1HB       LYS 100 -18.541  14.387  -3.846
  793   2HB   LYS 100          2HB       LYS 100 -18.721  15.152  -5.425
  794   1HG   LYS 100          1HG       LYS 100 -18.068  13.216  -6.581
  795   2HG   LYS 100          2HG       LYS 100 -17.266  12.530  -5.168
  796   1HD   LYS 100          1HD       LYS 100 -19.665  12.559  -4.117
  797   2HD   LYS 100          2HD       LYS 100 -20.204  12.662  -5.794
  798   1HE   LYS 100          1HE       LYS 100 -18.395  10.654  -6.031
  799   2HE   LYS 100          2HE       LYS 100 -18.937  10.386  -4.361
  800   1HZ   LYS 100          2HZ       LYS 100 -21.230  10.531  -5.120
  801   2HZ   LYS 100          1HZ       LYS 100 -20.708  10.755  -6.721
  802   3HZ   LYS 100          3HZ       LYS 100 -20.413   9.283  -5.934
  803    H    ALA 101           H        ALA 101 -17.678  16.902  -6.200
  804    HA   ALA 101           HA       ALA 101 -16.772  19.038  -4.292
  805   1HB   ALA 101          2HB       ALA 101 -16.922  20.329  -6.631
  806   2HB   ALA 101          3HB       ALA 101 -16.694  18.697  -7.262
  807   3HB   ALA 101          1HB       ALA 101 -15.488  19.404  -6.187
  808    H    ALA 102           H        ALA 102 -18.634  19.775  -3.231
  809    HA   ALA 102           HA       ALA 102 -20.994  20.455  -4.939
  810   1HB   ALA 102          2HB       ALA 102 -21.639  18.379  -4.037
  811   2HB   ALA 102          3HB       ALA 102 -22.310  19.522  -2.874
  812   3HB   ALA 102          1HB       ALA 102 -20.804  18.678  -2.512
  813    H    GLY 103           H        GLY 103 -19.118  22.378  -4.039
  814   1HA   GLY 103          2HA       GLY 103 -18.793  24.008  -2.252
  815   2HA   GLY 103          1HA       GLY 103 -20.379  23.572  -1.614
  816    H    THR 104           H        THR 104 -19.264  26.269  -2.511
  817    HA   THR 104           HA       THR 104 -21.249  26.862  -4.682
  818    HB   THR 104           HB       THR 104 -20.659  28.490  -2.188
  819    HG1  THR 104           HG1      THR 104 -22.483  27.629  -1.369
  820   1HG2  THR 104          2HG2      THR 104 -22.811  28.731  -4.308
  821   2HG2  THR 104          1HG2      THR 104 -22.674  29.741  -2.868
  822   3HG2  THR 104          3HG2      THR 104 -21.431  29.811  -4.118
  823    HA   PRO 105           HA       PRO 105 -17.190  28.594  -5.910
  824   1HB   PRO 105          1HB       PRO 105 -17.625  28.419  -8.605
  825   2HB   PRO 105          2HB       PRO 105 -17.030  27.059  -7.634
  826   1HG   PRO 105          1HG       PRO 105 -19.774  27.607  -8.643
  827   2HG   PRO 105          2HG       PRO 105 -18.906  26.070  -8.504
  828   1HD   PRO 105          1HD       PRO 105 -20.822  26.893  -6.740
  829   2HD   PRO 105          2HD       PRO 105 -19.500  25.784  -6.316
  830    H    LYS 106           H        LYS 106 -16.714  30.678  -7.098
  831    HA   LYS 106           HA       LYS 106 -17.221  32.936  -7.548
  832   1HB   LYS 106          1HB       LYS 106 -18.263  31.552  -9.451
  833   2HB   LYS 106          2HB       LYS 106 -19.807  31.805  -8.634
  834   1HG   LYS 106          1HG       LYS 106 -19.873  34.038  -9.152
  835   2HG   LYS 106          2HG       LYS 106 -18.121  34.218  -9.055
  836   1HD   LYS 106          1HD       LYS 106 -18.236  32.610 -11.196
  837   2HD   LYS 106          2HD       LYS 106 -19.816  33.378 -11.359
  838   1HE   LYS 106          1HE       LYS 106 -18.593  34.986 -12.467
  839   2HE   LYS 106          2HE       LYS 106 -18.261  35.558 -10.818
  840   1HZ   LYS 106          2HZ       LYS 106 -16.331  34.113 -10.734
  841   2HZ   LYS 106          1HZ       LYS 106 -16.638  33.566 -12.314
  842   3HZ   LYS 106          3HZ       LYS 106 -16.200  35.182 -12.047
  843    H    LYS 107           H        LYS 107 -17.532  33.751  -5.366
  844    HA   LYS 107           HA       LYS 107 -20.399  33.855  -4.474
  845   1HB   LYS 107          1HB       LYS 107 -18.339  32.611  -3.237
  846   2HB   LYS 107          2HB       LYS 107 -18.154  34.228  -2.555
  847   1HG   LYS 107          1HG       LYS 107 -20.714  34.097  -2.122
  848   2HG   LYS 107          2HG       LYS 107 -20.509  32.360  -2.352
  849   1HD   LYS 107          1HD       LYS 107 -18.476  32.767  -0.659
  850   2HD   LYS 107          2HD       LYS 107 -19.499  34.114  -0.160
  851   1HE   LYS 107          1HE       LYS 107 -21.410  32.295  -0.152
  852   2HE   LYS 107          2HE       LYS 107 -20.052  31.164   0.005
  853   1HZ   LYS 107          2HZ       LYS 107 -19.190  32.607   1.805
  854   2HZ   LYS 107          1HZ       LYS 107 -20.624  33.513   1.731
  855   3HZ   LYS 107          3HZ       LYS 107 -20.677  31.881   2.188
  856    H    LYS 108           H        LYS 108 -21.155  35.929  -3.710
  857    HA   LYS 108           HA       LYS 108 -19.249  38.211  -4.139
  858   1HB   LYS 108          1HB       LYS 108 -22.017  37.612  -5.070
  859   2HB   LYS 108          2HB       LYS 108 -21.669  39.289  -4.644
  860   1HG   LYS 108          1HG       LYS 108 -19.951  39.464  -6.261
  861   2HG   LYS 108          2HG       LYS 108 -19.831  37.715  -6.447
  862   1HD   LYS 108          1HD       LYS 108 -21.013  38.586  -8.372
  863   2HD   LYS 108          2HD       LYS 108 -22.175  37.723  -7.364
  864   1HE   LYS 108          1HE       LYS 108 -23.300  39.748  -7.844
  865   2HE   LYS 108          2HE       LYS 108 -22.566  40.084  -6.264
  866   1HZ   LYS 108          2HZ       LYS 108 -21.221  40.632  -8.852
  867   2HZ   LYS 108          1HZ       LYS 108 -22.098  41.804  -7.990
  868   3HZ   LYS 108          3HZ       LYS 108 -20.710  41.111  -7.305
  869    H    ALA 109           H        ALA 109 -19.352  39.902  -2.549
  870    HA   ALA 109           HA       ALA 109 -21.165  39.352  -0.217
  871   1HB   ALA 109          1HB       ALA 109 -18.475  40.735  -0.157
  872   2HB   ALA 109          2HB       ALA 109 -18.620  38.980  -0.047
  873   3HB   ALA 109          3HB       ALA 109 -19.351  40.004   1.188
  874    H    VAL 110           H        VAL 110 -21.646  41.436   1.075
  875    HA   VAL 110           HA       VAL 110 -21.900  43.763  -0.806
  876    HB   VAL 110           HB       VAL 110 -23.633  42.854   1.521
  877   1HG1  VAL 110          2HG1      VAL 110 -23.681  45.246  -0.295
  878   2HG1  VAL 110          1HG1      VAL 110 -25.204  44.578   0.291
  879   3HG1  VAL 110          3HG1      VAL 110 -23.995  45.156   1.438
  880   1HG2  VAL 110          2HG2      VAL 110 -23.767  41.391  -0.481
  881   2HG2  VAL 110          1HG2      VAL 110 -25.268  42.282  -0.230
  882   3HG2  VAL 110          3HG2      VAL 110 -24.132  42.802  -1.475
  883    H    VAL 111           H        VAL 111 -20.082  45.039  -0.169
  884    HA   VAL 111           HA       VAL 111 -19.949  45.748   2.747
  885    HB   VAL 111           HB       VAL 111 -17.749  45.526   0.661
  886   1HG1  VAL 111          3HG1      VAL 111 -17.785  46.379   3.554
  887   2HG1  VAL 111          2HG1      VAL 111 -16.332  45.688   2.833
  888   3HG1  VAL 111          1HG1      VAL 111 -17.018  47.176   2.181
  889   1HG2  VAL 111          2HG2      VAL 111 -18.603  43.764   2.972
  890   2HG2  VAL 111          1HG2      VAL 111 -18.458  43.319   1.271
  891   3HG2  VAL 111          3HG2      VAL 111 -17.010  43.646   2.224
  892    H    GLN 112           H        GLN 112 -20.868  47.823   2.869
  893    HA   GLN 112           HA       GLN 112 -20.039  49.805   0.770
  894   1HB   GLN 112          1HB       GLN 112 -22.521  48.909   1.239
  895   2HB   GLN 112          2HB       GLN 112 -22.465  50.163   2.479
  896   1HG   GLN 112          1HG       GLN 112 -22.127  51.881   0.901
  897   2HG   GLN 112          2HG       GLN 112 -21.611  50.750  -0.351
  898   1HE2  GLN 112          1HE2      GLN 112 -23.979  52.772  -0.244
  899   2HE2  GLN 112          2HE2      GLN 112 -25.321  51.822  -0.662
  900    H    ALA 113           H        ALA 113 -18.820  51.535   1.564
  901    HA   ALA 113           HA       ALA 113 -19.073  52.196   4.478
  902   1HB   ALA 113          1HB       ALA 113 -17.078  50.745   3.813
  903   2HB   ALA 113          2HB       ALA 113 -16.676  52.250   4.638
  904   3HB   ALA 113          3HB       ALA 113 -16.495  52.128   2.888
  905    H    LYS 114           H        LYS 114 -19.493  54.394   4.744
  906    HA   LYS 114           HA       LYS 114 -18.603  56.242   2.550
  907   1HB   LYS 114          1HB       LYS 114 -20.722  57.473   2.974
  908   2HB   LYS 114          2HB       LYS 114 -21.023  55.811   2.475
  909   1HG   LYS 114          1HG       LYS 114 -21.867  55.208   4.515
  910   2HG   LYS 114          2HG       LYS 114 -20.760  56.254   5.401
  911   1HD   LYS 114          1HD       LYS 114 -22.134  58.209   4.385
  912   2HD   LYS 114          2HD       LYS 114 -23.353  56.980   4.051
  913   1HE   LYS 114          1HE       LYS 114 -23.862  56.688   6.280
  914   2HE   LYS 114          2HE       LYS 114 -22.198  57.011   6.805
  915   1HZ   LYS 114          3HZ       LYS 114 -23.979  59.070   5.621
  916   2HZ   LYS 114          2HZ       LYS 114 -23.792  58.848   7.295
  917   3HZ   LYS 114          1HZ       LYS 114 -22.465  59.316   6.343
  918    H    LEU 115           H        LEU 115 -17.912  58.377   3.271
  919    HA   LEU 115           HA       LEU 115 -17.539  58.619   6.241
  920   1HB   LEU 115          1HB       LEU 115 -15.610  58.136   4.325
  921   2HB   LEU 115          2HB       LEU 115 -15.547  59.892   4.474
  922    HG   LEU 115           HG       LEU 115 -15.466  59.531   7.006
  923   1HD1  LEU 115          3HD1      LEU 115 -16.200  57.043   6.593
  924   2HD1  LEU 115          2HD1      LEU 115 -14.478  56.775   6.327
  925   3HD1  LEU 115          1HD1      LEU 115 -15.042  57.403   7.875
  926   1HD2  LEU 115          2HD2      LEU 115 -13.343  58.952   5.002
  927   2HD2  LEU 115          1HD2      LEU 115 -13.395  60.188   6.259
  928   3HD2  LEU 115          3HD2      LEU 115 -12.977  58.526   6.675
  929    H    THR 116           H        THR 116 -17.678  60.824   7.068
  930    HA   THR 116           HA       THR 116 -18.832  62.789   5.113
  931    HB   THR 116           HB       THR 116 -19.791  63.600   7.484
  932    HG1  THR 116           HG1      THR 116 -18.792  62.068   8.725
  933   1HG2  THR 116          1HG2      THR 116 -20.813  61.276   5.834
  934   2HG2  THR 116          3HG2      THR 116 -21.774  62.129   7.042
  935   3HG2  THR 116          2HG2      THR 116 -21.199  62.983   5.610
  936    H    THR 117           H        THR 117 -17.879  64.872   5.090
  937    HA   THR 117           HA       THR 117 -16.242  66.517   5.515
  938    HB   THR 117           HB       THR 117 -16.468  65.536   8.369
  939    HG1  THR 117           HG1      THR 117 -18.403  66.550   8.491
  940   1HG2  THR 117          2HG2      THR 117 -15.738  68.071   6.970
  941   2HG2  THR 117          1HG2      THR 117 -16.574  68.195   8.519
  942   3HG2  THR 117          3HG2      THR 117 -15.033  67.342   8.414

  No H/Q in entry =         942
  Start of MODEL    7
    1    H1   MET   1           HN2      MET   1 -17.655 -13.412 -15.169
    2    H2   MET   1           H        MET   1 -16.177 -12.574 -15.178
    3    HA   MET   1           HA       MET   1 -16.891 -12.850 -12.902
    4   1HB   MET   1          1HB       MET   1 -17.307 -15.608 -14.009
    5   2HB   MET   1          2HB       MET   1 -16.980 -15.431 -12.284
    6   1HG   MET   1          1HG       MET   1 -18.935 -14.215 -11.902
    7   2HG   MET   1          2HG       MET   1 -19.055 -13.691 -13.581
    8   1HE   MET   1          2HE       MET   1 -18.960 -16.305 -11.121
    9   2HE   MET   1          1HE       MET   1 -20.372 -17.318 -11.404
   10   3HE   MET   1          3HE       MET   1 -18.823 -17.725 -12.153
   11    H    ALA   2           H        ALA   2 -14.820 -12.156 -12.230
   12    HA   ALA   2           HA       ALA   2 -12.594 -14.160 -12.449
   13   1HB   ALA   2          1HB       ALA   2 -12.211 -11.191 -12.170
   14   2HB   ALA   2          3HB       ALA   2 -11.165 -12.375 -12.956
   15   3HB   ALA   2          2HB       ALA   2 -12.661 -11.862 -13.738
   16    H    GLU   3           H        GLU   3 -10.999 -14.048 -10.601
   17    HA   GLU   3           HA       GLU   3 -12.268 -13.015  -8.081
   18   1HB   GLU   3          1HB       GLU   3 -11.059 -15.630  -8.881
   19   2HB   GLU   3          2HB       GLU   3 -10.803 -15.093  -7.221
   20   1HG   GLU   3          1HG       GLU   3 -13.567 -14.927  -8.357
   21   2HG   GLU   3          2HG       GLU   3 -12.954 -16.506  -7.867
   22    H    GLN   4           H        GLN   4 -10.945 -11.538  -7.001
   23    HA   GLN   4           HA       GLN   4  -7.989 -11.722  -7.461
   24   1HB   GLN   4          1HB       GLN   4  -8.007  -9.236  -7.624
   25   2HB   GLN   4          2HB       GLN   4  -8.979  -9.983  -8.891
   26   1HG   GLN   4          1HG       GLN   4 -11.025  -9.490  -7.726
   27   2HG   GLN   4          2HG       GLN   4 -10.149  -8.998  -6.276
   28   1HE2  GLN   4          1HE2      GLN   4  -9.971  -6.735  -6.079
   29   2HE2  GLN   4          2HE2      GLN   4  -9.924  -5.658  -7.390
   30    H    ARG   5           H        ARG   5  -6.711 -10.708  -5.665
   31    HA   ARG   5           HA       ARG   5  -8.256 -10.217  -3.156
   32   1HB   ARG   5          1HB       ARG   5  -7.315 -12.657  -3.660
   33   2HB   ARG   5          2HB       ARG   5  -5.806 -11.940  -3.096
   34   1HG   ARG   5          1HG       ARG   5  -7.436 -11.033  -1.163
   35   2HG   ARG   5          2HG       ARG   5  -8.311 -12.503  -1.590
   36   1HD   ARG   5          1HD       ARG   5  -5.757 -13.464  -1.500
   37   2HD   ARG   5          2HD       ARG   5  -5.689 -12.209  -0.247
   38    HE   ARG   5           HE       ARG   5  -7.784 -13.280   0.710
   39   1HH1  ARG   5          1HH1      ARG   5  -7.071 -15.084  -1.965
   40   2HH1  ARG   5          2HH1      ARG   5  -6.927 -16.606  -1.149
   41   1HH2  ARG   5          1HH2      ARG   5  -6.997 -15.213   2.025
   42   2HH2  ARG   5          2HH2      ARG   5  -6.886 -16.679   1.109
   43    H    PHE   6           H        PHE   6  -7.300  -8.563  -1.901
   44    HA   PHE   6           HA       PHE   6  -4.626  -7.563  -2.836
   45   1HB   PHE   6          1HB       PHE   6  -7.245  -6.341  -2.252
   46   2HB   PHE   6          2HB       PHE   6  -5.893  -5.498  -1.499
   47    HD1  PHE   6           HD1      PHE   6  -3.986  -4.676  -2.912
   48    HD2  PHE   6           HD2      PHE   6  -7.594  -6.265  -4.618
   49    HE1  PHE   6           HE1      PHE   6  -3.422  -3.625  -5.081
   50    HE2  PHE   6           HE2      PHE   6  -7.025  -5.218  -6.792
   51    HZ   PHE   6           HZ       PHE   6  -4.939  -3.896  -7.025
   52    H    CYS   7           H        CYS   7  -3.046  -7.170  -1.212
   53    HA   CYS   7           HA       CYS   7  -3.875  -7.658   1.635
   54   1HB   CYS   7          1HB       CYS   7  -1.456  -8.665   0.097
   55   2HB   CYS   7          2HB       CYS   7  -1.688  -8.874   1.832
   56    HG   CYS   7           HG       CYS   7  -4.101 -10.041   0.851
   57    H    VAL   8           H        VAL   8  -2.205  -6.639   3.197
   58    HA   VAL   8           HA       VAL   8  -0.762  -4.355   1.894
   59    HB   VAL   8           HB       VAL   8  -1.543  -2.954   3.789
   60   1HG1  VAL   8          2HG1      VAL   8  -2.911  -3.592   1.565
   61   2HG1  VAL   8          1HG1      VAL   8  -4.059  -4.176   2.769
   62   3HG1  VAL   8          3HG1      VAL   8  -3.550  -2.487   2.780
   63   1HG2  VAL   8          2HG2      VAL   8  -1.816  -4.893   5.387
   64   2HG2  VAL   8          1HG2      VAL   8  -3.183  -3.783   5.359
   65   3HG2  VAL   8          3HG2      VAL   8  -3.286  -5.327   4.516
   66    H    ASP   9           H        ASP   9   1.321  -3.948   2.732
   67    HA   ASP   9           HA       ASP   9   2.115  -5.281   5.276
   68   1HB   ASP   9          1HB       ASP   9   2.982  -5.916   2.489
   69   2HB   ASP   9          2HB       ASP   9   4.214  -5.968   3.750
   70    H    TYR  10           H        TYR  10   2.806  -3.408   6.369
   71    HA   TYR  10           HA       TYR  10   3.915  -1.063   5.149
   72   1HB   TYR  10          1HB       TYR  10   3.868  -2.273   7.890
   73   2HB   TYR  10          2HB       TYR  10   4.981  -0.935   7.606
   74    HD1  TYR  10           HD1      TYR  10   1.693  -1.754   8.559
   75    HD2  TYR  10           HD2      TYR  10   3.910   1.094   6.223
   76    HE1  TYR  10           HE1      TYR  10  -0.184  -0.143   8.735
   77    HE2  TYR  10           HE2      TYR  10   2.031   2.702   6.401
   78    HH   TYR  10           HH       TYR  10  -0.800   2.171   6.903
   79    H    ALA  11           H        ALA  11   6.156  -0.339   4.989
   80    HA   ALA  11           HA       ALA  11   8.099  -2.620   4.795
   81   1HB   ALA  11          2HB       ALA  11   7.305  -0.978   2.852
   82   2HB   ALA  11          3HB       ALA  11   8.980  -1.521   2.946
   83   3HB   ALA  11          1HB       ALA  11   8.533   0.074   3.555
   84    H    LYS  12           H        LYS  12   9.993  -2.533   6.059
   85    HA   LYS  12           HA       LYS  12  10.416  -0.029   7.665
   86   1HB   LYS  12          1HB       LYS  12   9.619  -2.369   8.645
   87   2HB   LYS  12          2HB       LYS  12  11.338  -2.746   8.538
   88   1HG   LYS  12          1HG       LYS  12  11.377  -1.781  10.616
   89   2HG   LYS  12          2HG       LYS  12  11.489  -0.296   9.671
   90   1HD   LYS  12          1HD       LYS  12   9.237   0.236   9.989
   91   2HD   LYS  12          2HD       LYS  12   8.788  -1.436  10.326
   92   1HE   LYS  12          1HE       LYS  12  10.544  -0.976  12.368
   93   2HE   LYS  12          2HE       LYS  12   9.824   0.634  12.172
   94   1HZ   LYS  12          3HZ       LYS  12   8.292  -1.908  12.353
   95   2HZ   LYS  12          2HZ       LYS  12   8.483  -0.800  13.626
   96   3HZ   LYS  12          1HZ       LYS  12   7.635  -0.350  12.226
   97    H    ARG  13           H        ARG  13  12.235  -2.978   6.579
   98    HA   ARG  13           HA       ARG  13  14.531  -1.156   5.927
   99   1HB   ARG  13          1HB       ARG  13  14.365  -3.778   7.416
  100   2HB   ARG  13          2HB       ARG  13  15.875  -3.260   6.666
  101   1HG   ARG  13          1HG       ARG  13  15.400  -0.999   7.918
  102   2HG   ARG  13          2HG       ARG  13  14.363  -2.001   8.935
  103   1HD   ARG  13          1HD       ARG  13  17.131  -2.997   8.358
  104   2HD   ARG  13          2HD       ARG  13  16.935  -1.690   9.543
  105    HE   ARG  13           HE       ARG  13  15.381  -4.246   9.731
  106   1HH1  ARG  13          1HH1      ARG  13  14.259  -3.671  11.859
  107   2HH1  ARG  13          2HH1      ARG  13  15.364  -3.307  13.144
  108   1HH2  ARG  13          1HH2      ARG  13  18.092  -2.901  11.043
  109   2HH2  ARG  13          2HH2      ARG  13  17.533  -2.873  12.682
  110    H    GLY  14           H        GLY  14  15.034  -1.317   3.738
  111   1HA   GLY  14          2HA       GLY  14  14.134  -3.755   2.282
  112   2HA   GLY  14          1HA       GLY  14  15.819  -3.249   2.139
  113    H    THR  15           H        THR  15  14.989  -3.146  -0.268
  114    HA   THR  15           HA       THR  15  13.544  -0.585  -0.803
  115    HB   THR  15           HB       THR  15  16.210  -1.432  -1.984
  116    HG1  THR  15           HG1      THR  15  17.069   0.126  -0.675
  117   1HG2  THR  15          1HG2      THR  15  14.252   0.710  -2.578
  118   2HG2  THR  15          3HG2      THR  15  15.939   1.219  -2.501
  119   3HG2  THR  15          2HG2      THR  15  15.450  -0.045  -3.629
  120    H    ALA  16           H        ALA  16  12.127  -0.802  -2.577
  121    HA   ALA  16           HA       ALA  16  12.623  -3.009  -4.513
  122   1HB   ALA  16          2HB       ALA  16   9.882  -2.639  -3.357
  123   2HB   ALA  16          1HB       ALA  16  10.627  -4.101  -4.006
  124   3HB   ALA  16          3HB       ALA  16  11.088  -3.510  -2.408
  125    H    GLY  17           H        GLY  17  12.019  -2.441  -6.616
  126   1HA   GLY  17          2HA       GLY  17  11.349  -1.011  -8.346
  127   2HA   GLY  17          1HA       GLY  17  11.269   0.288  -7.154
  128    H    CYS  18           H        CYS  18   9.230   1.153  -7.066
  129    HA   CYS  18           HA       CYS  18   6.880  -0.407  -6.451
  130   1HB   CYS  18          1HB       CYS  18   7.035   1.935  -5.888
  131   2HB   CYS  18          2HB       CYS  18   7.353   2.380  -7.557
  132    H    LYS  19           H        LYS  19   5.509  -1.571  -7.819
  133    HA   LYS  19           HA       LYS  19   6.163  -2.003 -10.597
  134   1HB   LYS  19          1HB       LYS  19   3.957  -2.713  -8.727
  135   2HB   LYS  19          2HB       LYS  19   3.534  -2.731 -10.438
  136   1HG   LYS  19          1HG       LYS  19   4.334  -4.932  -9.895
  137   2HG   LYS  19          2HG       LYS  19   5.600  -4.141 -10.835
  138   1HD   LYS  19          1HD       LYS  19   6.550  -3.403  -8.533
  139   2HD   LYS  19          2HD       LYS  19   5.516  -4.668  -7.869
  140   1HE   LYS  19          1HE       LYS  19   6.605  -6.354  -9.277
  141   2HE   LYS  19          2HE       LYS  19   7.602  -5.098 -10.040
  142   1HZ   LYS  19          2HZ       LYS  19   8.389  -4.485  -7.797
  143   2HZ   LYS  19          1HZ       LYS  19   7.552  -5.818  -7.157
  144   3HZ   LYS  19          3HZ       LYS  19   8.836  -6.064  -8.238
  145    H    LYS  20           H        LYS  20   5.179  -1.104 -12.535
  146    HA   LYS  20           HA       LYS  20   4.250   0.664 -13.811
  147   1HB   LYS  20          1HB       LYS  20   2.348   0.193 -11.510
  148   2HB   LYS  20          2HB       LYS  20   2.006   1.449 -12.702
  149   1HG   LYS  20          1HG       LYS  20   0.966  -0.314 -13.756
  150   2HG   LYS  20          2HG       LYS  20   2.595  -0.546 -14.394
  151   1HD   LYS  20          1HD       LYS  20   3.027  -2.360 -13.019
  152   2HD   LYS  20          2HD       LYS  20   1.901  -1.816 -11.774
  153   1HE   LYS  20          1HE       LYS  20   0.804  -3.677 -12.783
  154   2HE   LYS  20          2HE       LYS  20   0.053  -2.268 -13.557
  155   1HZ   LYS  20          2HZ       LYS  20   1.795  -2.419 -15.292
  156   2HZ   LYS  20          1HZ       LYS  20   2.316  -3.883 -14.603
  157   3HZ   LYS  20          3HZ       LYS  20   0.760  -3.766 -15.267
  158    H    CYS  21           H        CYS  21   6.421   1.521 -12.231
  159    HA   CYS  21           HA       CYS  21   5.750   4.354 -11.762
  160   1HB   CYS  21          1HB       CYS  21   4.905   3.247  -9.759
  161   2HB   CYS  21          2HB       CYS  21   6.423   2.389  -9.551
  162    H    LYS  22           H        LYS  22   7.712   5.659 -11.505
  163    HA   LYS  22           HA       LYS  22  10.232   4.189 -12.209
  164   1HB   LYS  22          1HB       LYS  22   9.047   6.880 -12.746
  165   2HB   LYS  22          2HB       LYS  22  10.802   6.807 -12.582
  166   1HG   LYS  22          1HG       LYS  22   9.413   4.791 -14.318
  167   2HG   LYS  22          2HG       LYS  22   9.688   6.419 -14.941
  168   1HD   LYS  22          1HD       LYS  22  12.002   6.197 -14.895
  169   2HD   LYS  22          2HD       LYS  22  11.961   4.974 -13.623
  170   1HE   LYS  22          1HE       LYS  22  11.257   3.266 -15.147
  171   2HE   LYS  22          2HE       LYS  22  10.889   4.456 -16.413
  172   1HZ   LYS  22          2HZ       LYS  22  13.580   4.094 -15.211
  173   2HZ   LYS  22          1HZ       LYS  22  13.100   3.375 -16.672
  174   3HZ   LYS  22          3HZ       LYS  22  13.177   5.064 -16.546
  175    H    GLU  23           H        GLU  23   9.401   3.989  -9.516
  176    HA   GLU  23           HA       GLU  23  11.480   5.624  -8.141
  177   1HB   GLU  23          1HB       GLU  23   8.912   6.404  -8.174
  178   2HB   GLU  23          2HB       GLU  23   8.814   5.253  -6.848
  179   1HG   GLU  23          1HG       GLU  23  10.100   6.536  -5.456
  180   2HG   GLU  23          2HG       GLU  23  11.121   7.118  -6.772
  181    H    LYS  24           H        LYS  24  11.300   4.724  -5.596
  182    HA   LYS  24           HA       LYS  24  11.093   1.730  -5.701
  183   1HB   LYS  24          1HB       LYS  24  13.405   3.540  -5.207
  184   2HB   LYS  24          2HB       LYS  24  13.263   2.153  -4.125
  185   1HG   LYS  24          1HG       LYS  24  13.406   0.602  -5.899
  186   2HG   LYS  24          2HG       LYS  24  13.022   1.822  -7.113
  187   1HD   LYS  24          1HD       LYS  24  15.450   2.313  -5.467
  188   2HD   LYS  24          2HD       LYS  24  15.545   0.998  -6.639
  189   1HE   LYS  24          1HE       LYS  24  14.796   2.552  -8.431
  190   2HE   LYS  24          2HE       LYS  24  14.775   3.875  -7.248
  191   1HZ   LYS  24          1HZ       LYS  24  17.116   3.270  -6.713
  192   2HZ   LYS  24          3HZ       LYS  24  17.105   2.215  -8.041
  193   3HZ   LYS  24          2HZ       LYS  24  16.905   3.884  -8.283
  194    H    ILE  25           H        ILE  25  10.716   0.782  -3.562
  195    HA   ILE  25           HA       ILE  25   9.504   2.740  -1.644
  196    HB   ILE  25           HB       ILE  25   9.214  -0.282  -1.834
  197   1HG1  ILE  25          1HG1      ILE  25   7.274   1.841  -2.806
  198   2HG1  ILE  25          2HG1      ILE  25   8.404   1.008  -3.875
  199   1HG2  ILE  25          2HG2      ILE  25   7.929   1.902  -0.232
  200   2HG2  ILE  25          1HG2      ILE  25   7.016   0.441  -0.605
  201   3HG2  ILE  25          3HG2      ILE  25   8.518   0.332   0.313
  202   1HD1  ILE  25          2HD1      ILE  25   6.491  -0.497  -2.085
  203   2HD1  ILE  25          1HD1      ILE  25   6.047   0.011  -3.714
  204   3HD1  ILE  25          3HD1      ILE  25   7.389  -1.107  -3.475
  205    H    VAL  26           H        VAL  26  10.824   3.252   0.115
  206    HA   VAL  26           HA       VAL  26  12.484   1.048   1.276
  207    HB   VAL  26           HB       VAL  26  14.331   2.738   1.499
  208   1HG1  VAL  26          2HG1      VAL  26  13.295   2.143  -1.285
  209   2HG1  VAL  26          1HG1      VAL  26  14.922   2.724  -0.936
  210   3HG1  VAL  26          3HG1      VAL  26  14.400   1.153  -0.333
  211   1HG2  VAL  26          3HG2      VAL  26  12.332   4.580   0.887
  212   2HG2  VAL  26          2HG2      VAL  26  14.061   4.912   0.918
  213   3HG2  VAL  26          1HG2      VAL  26  13.272   4.492  -0.601
  214    H    LYS  27           H        LYS  27  10.932   0.937   3.052
  215    HA   LYS  27           HA       LYS  27  10.170   1.488   5.210
  216   1HB   LYS  27          1HB       LYS  27  12.705   1.847   5.339
  217   2HB   LYS  27          2HB       LYS  27  12.366   3.570   5.165
  218   1HG   LYS  27          1HG       LYS  27  11.031   3.582   7.178
  219   2HG   LYS  27          2HG       LYS  27  11.116   1.825   7.302
  220   1HD   LYS  27          1HD       LYS  27  13.285   1.843   8.076
  221   2HD   LYS  27          2HD       LYS  27  13.700   3.311   7.190
  222   1HE   LYS  27          1HE       LYS  27  11.706   3.474   9.440
  223   2HE   LYS  27          2HE       LYS  27  13.443   3.443   9.804
  224   1HZ   LYS  27          2HZ       LYS  27  12.130   5.267   7.858
  225   2HZ   LYS  27          1HZ       LYS  27  12.649   5.712   9.413
  226   3HZ   LYS  27          3HZ       LYS  27  13.784   5.243   8.244
  227    H    GLY  28           H        GLY  28   8.751   3.002   6.264
  228   1HA   GLY  28          2HA       GLY  28   8.514   5.745   5.351
  229   2HA   GLY  28          1HA       GLY  28   7.427   4.930   6.469
  230    H    VAL  29           H        VAL  29   7.318   2.815   3.946
  231    HA   VAL  29           HA       VAL  29   5.133   4.349   2.589
  232    HB   VAL  29           HB       VAL  29   7.242   2.467   1.486
  233   1HG1  VAL  29          2HG1      VAL  29   5.010   2.158   0.392
  234   2HG1  VAL  29          1HG1      VAL  29   5.006   3.876  -0.008
  235   3HG1  VAL  29          3HG1      VAL  29   6.225   2.810  -0.707
  236   1HG2  VAL  29          3HG2      VAL  29   6.769   5.430   1.381
  237   2HG2  VAL  29          2HG2      VAL  29   8.277   4.553   1.637
  238   3HG2  VAL  29          1HG2      VAL  29   7.568   4.637   0.022
  239    H    CYS  30           H        CYS  30   3.166   3.214   2.467
  240    HA   CYS  30           HA       CYS  30   3.073   0.494   3.671
  241   1HB   CYS  30          1HB       CYS  30   1.421   2.503   4.024
  242   2HB   CYS  30          2HB       CYS  30   0.747   2.007   2.472
  243    HG   CYS  30           HG       CYS  30   0.265   0.594   5.087
  244    H    ARG  31           H        ARG  31   3.314  -1.293   2.319
  245    HA   ARG  31           HA       ARG  31   2.881  -0.877  -0.613
  246   1HB   ARG  31          1HB       ARG  31   4.245  -3.086   0.964
  247   2HB   ARG  31          2HB       ARG  31   4.231  -2.952  -0.795
  248   1HG   ARG  31          1HG       ARG  31   5.276  -0.650  -0.509
  249   2HG   ARG  31          2HG       ARG  31   5.513  -1.060   1.190
  250   1HD   ARG  31          1HD       ARG  31   6.551  -2.752  -1.112
  251   2HD   ARG  31          2HD       ARG  31   7.533  -1.576  -0.215
  252    HE   ARG  31           HE       ARG  31   6.938  -2.905   1.863
  253   1HH1  ARG  31          1HH1      ARG  31   5.159  -4.902   1.560
  254   2HH1  ARG  31          2HH1      ARG  31   5.978  -6.259   0.863
  255   1HH2  ARG  31          1HH2      ARG  31   8.669  -4.389  -0.272
  256   2HH2  ARG  31          2HH2      ARG  31   7.965  -5.969  -0.174
  257    H    ILE  32           H        ILE  32   1.115  -1.807  -1.632
  258    HA   ILE  32           HA       ILE  32  -0.521  -3.755  -0.050
  259    HB   ILE  32           HB       ILE  32  -1.316  -2.304  -2.598
  260   1HG1  ILE  32          1HG1      ILE  32  -1.763  -1.322   0.249
  261   2HG1  ILE  32          2HG1      ILE  32  -0.569  -0.637  -0.852
  262   1HG2  ILE  32          3HG2      ILE  32  -2.577  -4.302  -1.421
  263   2HG2  ILE  32          2HG2      ILE  32  -3.132  -3.031  -0.331
  264   3HG2  ILE  32          1HG2      ILE  32  -3.480  -2.927  -2.057
  265   1HD1  ILE  32          2HD1      ILE  32  -3.521  -0.818  -1.507
  266   2HD1  ILE  32          1HD1      ILE  32  -2.773   0.610  -0.788
  267   3HD1  ILE  32          3HD1      ILE  32  -2.280   0.070  -2.394
  268    H    GLY  33           H        GLY  33  -0.574  -5.904  -0.778
  269   1HA   GLY  33          2HA       GLY  33   0.553  -7.643  -2.036
  270   2HA   GLY  33          1HA       GLY  33   0.838  -6.479  -3.328
  271    H    LYS  34           H        LYS  34  -0.357  -7.061  -5.115
  272    HA   LYS  34           HA       LYS  34  -3.229  -7.795  -4.671
  273   1HB   LYS  34          1HB       LYS  34  -2.692  -5.769  -6.019
  274   2HB   LYS  34          2HB       LYS  34  -1.768  -6.777  -7.133
  275   1HG   LYS  34          1HG       LYS  34  -3.882  -8.147  -7.472
  276   2HG   LYS  34          2HG       LYS  34  -4.742  -6.888  -6.585
  277   1HD   LYS  34          1HD       LYS  34  -3.628  -5.250  -8.272
  278   2HD   LYS  34          2HD       LYS  34  -3.349  -6.694  -9.248
  279   1HE   LYS  34          1HE       LYS  34  -5.903  -7.159  -8.802
  280   2HE   LYS  34          2HE       LYS  34  -5.959  -5.415  -8.475
  281   1HZ   LYS  34          1HZ       LYS  34  -4.812  -5.030 -10.577
  282   2HZ   LYS  34          3HZ       LYS  34  -4.815  -6.695 -10.903
  283   3HZ   LYS  34          2HZ       LYS  34  -6.282  -5.842 -10.831
  284    H    VAL  35           H        VAL  35  -3.577 -10.026  -4.825
  285    HA   VAL  35           HA       VAL  35  -1.730 -11.601  -6.588
  286    HB   VAL  35           HB       VAL  35  -3.595 -12.437  -4.336
  287   1HG1  VAL  35          2HG1      VAL  35  -3.109 -14.178  -6.099
  288   2HG1  VAL  35          1HG1      VAL  35  -1.398 -14.018  -5.700
  289   3HG1  VAL  35          3HG1      VAL  35  -2.536 -14.605  -4.486
  290   1HG2  VAL  35          2HG2      VAL  35  -0.597 -11.994  -4.455
  291   2HG2  VAL  35          1HG2      VAL  35  -1.760 -11.117  -3.461
  292   3HG2  VAL  35          3HG2      VAL  35  -1.412 -12.813  -3.124
  293    H    VAL  36           H        VAL  36  -2.650 -11.888  -8.634
  294    HA   VAL  36           HA       VAL  36  -5.591 -12.481  -8.745
  295    HB   VAL  36           HB       VAL  36  -3.743 -11.122 -10.737
  296   1HG1  VAL  36          3HG1      VAL  36  -6.623 -11.981 -10.843
  297   2HG1  VAL  36          2HG1      VAL  36  -6.102 -10.552 -11.735
  298   3HG1  VAL  36          1HG1      VAL  36  -5.377 -12.122 -12.082
  299   1HG2  VAL  36          1HG2      VAL  36  -4.721 -10.016  -8.473
  300   2HG2  VAL  36          3HG2      VAL  36  -4.526  -9.103  -9.969
  301   3HG2  VAL  36          2HG2      VAL  36  -6.103  -9.761  -9.537
  302    HA   PRO  37           HA       PRO  37  -3.740 -16.326 -10.288
  303   1HB   PRO  37          1HB       PRO  37  -6.053 -17.786 -10.336
  304   2HB   PRO  37          2HB       PRO  37  -5.116 -17.511  -8.854
  305   1HG   PRO  37          1HG       PRO  37  -7.591 -16.163  -9.806
  306   2HG   PRO  37          2HG       PRO  37  -7.125 -16.642  -8.166
  307   1HD   PRO  37          1HD       PRO  37  -6.954 -14.083  -9.095
  308   2HD   PRO  37          2HD       PRO  37  -5.908 -14.738  -7.815
  309    H    ASN  38           H        ASN  38  -3.694 -17.246 -12.425
  310    HA   ASN  38           HA       ASN  38  -5.390 -15.803 -14.430
  311   1HB   ASN  38          1HB       ASN  38  -2.711 -17.183 -14.433
  312   2HB   ASN  38          2HB       ASN  38  -3.565 -16.922 -15.955
  313   1HD2  ASN  38          2HD2      ASN  38  -2.267 -15.188 -16.826
  314   2HD2  ASN  38          1HD2      ASN  38  -2.098 -13.692 -16.041
  315    HA   PRO  39           HA       PRO  39  -7.577 -19.488 -15.445
  316   1HB   PRO  39          1HB       PRO  39  -7.798 -19.358 -18.171
  317   2HB   PRO  39          2HB       PRO  39  -8.718 -18.307 -17.075
  318   1HG   PRO  39          1HG       PRO  39  -6.260 -17.716 -18.644
  319   2HG   PRO  39          2HG       PRO  39  -7.662 -16.688 -18.312
  320   1HD   PRO  39          1HD       PRO  39  -5.283 -16.468 -16.994
  321   2HD   PRO  39          2HD       PRO  39  -6.846 -16.008 -16.285
  322    H    PHE  40           H        PHE  40  -5.352 -20.610 -14.787
  323    HA   PHE  40           HA       PHE  40  -4.617 -22.434 -17.012
  324   1HB   PHE  40          1HB       PHE  40  -3.118 -20.461 -17.169
  325   2HB   PHE  40          2HB       PHE  40  -2.625 -20.713 -15.496
  326    HD1  PHE  40           HD1      PHE  40  -2.068 -21.639 -18.930
  327    HD2  PHE  40           HD2      PHE  40  -1.543 -22.951 -14.874
  328    HE1  PHE  40           HE1      PHE  40  -0.346 -23.262 -19.677
  329    HE2  PHE  40           HE2      PHE  40   0.176 -24.572 -15.620
  330    HZ   PHE  40           HZ       PHE  40   0.776 -24.729 -18.022
  331    H    SER  41           H        SER  41  -3.494 -21.525 -13.686
  332    HA   SER  41           HA       SER  41  -3.548 -24.443 -12.992
  333   1HB   SER  41          1HB       SER  41  -1.371 -23.376 -12.798
  334   2HB   SER  41          2HB       SER  41  -2.059 -22.048 -11.868
  335    HG   SER  41           HG       SER  41  -0.985 -23.912 -10.728
  336    H    GLU  42           H        GLU  42  -4.412 -25.009 -10.814
  337    HA   GLU  42           HA       GLU  42  -6.615 -23.155 -10.005
  338   1HB   GLU  42          1HB       GLU  42  -6.022 -26.095  -9.731
  339   2HB   GLU  42          2HB       GLU  42  -7.214 -25.340  -8.673
  340   1HG   GLU  42          1HG       GLU  42  -8.084 -24.331 -10.986
  341   2HG   GLU  42          2HG       GLU  42  -7.310 -25.781 -11.626
  342    H    SER  43           H        SER  43  -3.921 -25.058  -8.533
  343    HA   SER  43           HA       SER  43  -4.341 -23.684  -5.934
  344   1HB   SER  43          1HB       SER  43  -3.484 -26.177  -6.632
  345   2HB   SER  43          2HB       SER  43  -1.936 -25.365  -6.408
  346    HG   SER  43           HG       SER  43  -2.516 -24.866  -4.331
  347    H    GLY  44           H        GLY  44  -1.882 -23.761  -8.562
  348   1HA   GLY  44          2HA       GLY  44   0.253 -22.529  -8.349
  349   2HA   GLY  44          1HA       GLY  44  -0.566 -21.417  -7.249
  350    H    GLY  45           H        GLY  45   0.773 -20.332  -9.452
  351   1HA   GLY  45          2HA       GLY  45  -1.226 -19.921 -11.591
  352   2HA   GLY  45          1HA       GLY  45   0.432 -19.317 -11.591
  353    H    ASP  46           H        ASP  46   0.430 -18.014  -9.034
  354    HA   ASP  46           HA       ASP  46  -1.629 -15.871  -9.479
  355   1HB   ASP  46          1HB       ASP  46  -0.487 -17.198  -7.023
  356   2HB   ASP  46          2HB       ASP  46  -1.207 -15.591  -6.916
  357    H    MET  47           H        MET  47  -0.842 -13.700  -9.438
  358    HA   MET  47           HA       MET  47   2.138 -13.415  -9.183
  359   1HB   MET  47          1HB       MET  47   0.036 -12.272 -11.003
  360   2HB   MET  47          2HB       MET  47   1.515 -11.355 -10.713
  361   1HG   MET  47          1HG       MET  47   1.671 -14.267 -11.452
  362   2HG   MET  47          2HG       MET  47   1.450 -13.047 -12.707
  363   1HE   MET  47          3HE       MET  47   3.623 -15.153 -12.295
  364   2HE   MET  47          2HE       MET  47   5.234 -14.575 -11.880
  365   3HE   MET  47          1HE       MET  47   4.082 -14.943 -10.600
  366    H    LYS  48           H        LYS  48   2.824 -12.017  -7.546
  367    HA   LYS  48           HA       LYS  48   0.789 -10.117  -6.413
  368   1HB   LYS  48          1HB       LYS  48   1.325 -12.085  -4.992
  369   2HB   LYS  48          2HB       LYS  48   3.032 -11.644  -5.046
  370   1HG   LYS  48          1HG       LYS  48   2.146  -9.313  -4.176
  371   2HG   LYS  48          2HG       LYS  48   0.767 -10.272  -3.636
  372   1HD   LYS  48          1HD       LYS  48   3.480 -11.347  -3.033
  373   2HD   LYS  48          2HD       LYS  48   2.951  -9.940  -2.110
  374   1HE   LYS  48          1HE       LYS  48   0.830 -11.172  -1.549
  375   2HE   LYS  48          2HE       LYS  48   1.518 -12.609  -2.331
  376   1HZ   LYS  48          2HZ       LYS  48   3.500 -12.306  -0.891
  377   2HZ   LYS  48          1HZ       LYS  48   2.661 -11.095  -0.045
  378   3HZ   LYS  48          3HZ       LYS  48   2.089 -12.691  -0.027
  379    H    GLU  49           H        GLU  49   1.491  -7.949  -6.254
  380    HA   GLU  49           HA       GLU  49   4.420  -7.408  -6.520
  381   1HB   GLU  49          1HB       GLU  49   2.112  -6.429  -8.209
  382   2HB   GLU  49          2HB       GLU  49   3.632  -5.540  -8.130
  383   1HG   GLU  49          1HG       GLU  49   4.127  -6.917  -9.909
  384   2HG   GLU  49          2HG       GLU  49   4.632  -7.982  -8.596
  385    H    TRP  50           H        TRP  50   5.015  -5.256  -5.637
  386    HA   TRP  50           HA       TRP  50   3.042  -4.319  -3.594
  387   1HB   TRP  50          1HB       TRP  50   6.010  -3.820  -4.004
  388   2HB   TRP  50          2HB       TRP  50   5.069  -3.186  -2.654
  389    HD1  TRP  50           HD1      TRP  50   7.303  -5.882  -3.321
  390    HE1  TRP  50           HE1      TRP  50   6.884  -7.914  -1.793
  391    HE3  TRP  50           HE3      TRP  50   2.658  -4.707  -1.544
  392    HZ2  TRP  50           HZ2      TRP  50   4.846  -8.911  -0.047
  393    HZ3  TRP  50           HZ3      TRP  50   1.507  -6.211   0.051
  394    HH2  TRP  50           HH2      TRP  50   2.593  -8.310   0.801
  395    H    TYR  51           H        TYR  51   2.836  -1.891  -3.286
  396    HA   TYR  51           HA       TYR  51   3.424  -0.307  -5.748
  397   1HB   TYR  51          1HB       TYR  51   0.739  -0.741  -4.407
  398   2HB   TYR  51          2HB       TYR  51   1.038   0.509  -5.611
  399    HD1  TYR  51           HD1      TYR  51   0.624  -3.086  -5.022
  400    HD2  TYR  51           HD2      TYR  51   1.527  -0.074  -7.955
  401    HE1  TYR  51           HE1      TYR  51   0.198  -4.725  -6.827
  402    HE2  TYR  51           HE2      TYR  51   1.104  -1.715  -9.761
  403    HH   TYR  51           HH       TYR  51  -0.513  -4.122  -9.723
  404    H    HIS  52           H        HIS  52   2.792   2.097  -5.294
  405    HA   HIS  52           HA       HIS  52   3.815   2.852  -2.587
  406   1HB   HIS  52          1HB       HIS  52   3.544   4.069  -5.284
  407   2HB   HIS  52          2HB       HIS  52   3.378   5.189  -3.944
  408    HD2  HIS  52           HD2      HIS  52   5.747   4.286  -1.958
  409    HE1  HIS  52           HE1      HIS  52   8.311   4.178  -5.324
  410    HE2  HIS  52           HE2      HIS  52   8.190   4.248  -2.814
  411    H    ILE  53           H        ILE  53   2.485   5.190  -1.996
  412    HA   ILE  53           HA       ILE  53  -0.258   4.232  -1.422
  413    HB   ILE  53           HB       ILE  53   1.218   6.809  -0.761
  414   1HG1  ILE  53          1HG1      ILE  53   2.164   4.746   0.255
  415   2HG1  ILE  53          2HG1      ILE  53   1.460   5.810   1.470
  416   1HG2  ILE  53          3HG2      ILE  53  -1.544   6.376  -0.701
  417   2HG2  ILE  53          2HG2      ILE  53  -1.038   6.084   0.961
  418   3HG2  ILE  53          1HG2      ILE  53  -0.662   7.617   0.188
  419   1HD1  ILE  53          3HD1      ILE  53  -0.666   4.169   0.644
  420   2HD1  ILE  53          2HD1      ILE  53   0.721   3.085   0.777
  421   3HD1  ILE  53          1HD1      ILE  53   0.224   4.056   2.163
  422    H    LYS  54           H        LYS  54   1.231   6.984  -3.235
  423    HA   LYS  54           HA       LYS  54  -1.391   7.780  -4.312
  424   1HB   LYS  54          1HB       LYS  54   1.457   8.621  -4.937
  425   2HB   LYS  54          2HB       LYS  54   0.030   9.392  -5.629
  426   1HG   LYS  54          1HG       LYS  54  -0.619  10.325  -3.603
  427   2HG   LYS  54          2HG       LYS  54   0.206   9.089  -2.652
  428   1HD   LYS  54          1HD       LYS  54   1.788  10.985  -4.372
  429   2HD   LYS  54          2HD       LYS  54   1.251  11.477  -2.766
  430   1HE   LYS  54          1HE       LYS  54   2.270   9.029  -2.176
  431   2HE   LYS  54          2HE       LYS  54   3.321   9.489  -3.530
  432   1HZ   LYS  54          1HZ       LYS  54   3.693  11.630  -2.475
  433   2HZ   LYS  54          3HZ       LYS  54   2.697  11.193  -1.174
  434   3HZ   LYS  54          2HZ       LYS  54   4.163  10.373  -1.432
  435    H    CYS  55           H        CYS  55   1.381   5.857  -5.479
  436    HA   CYS  55           HA       CYS  55   0.611   5.767  -8.248
  437   1HB   CYS  55          1HB       CYS  55   2.043   3.709  -6.533
  438   2HB   CYS  55          2HB       CYS  55   2.008   3.693  -8.294
  439    H    MET  56           H        MET  56  -0.116   3.429  -5.605
  440    HA   MET  56           HA       MET  56  -1.844   1.794  -7.269
  441   1HB   MET  56          1HB       MET  56  -0.702   1.204  -5.031
  442   2HB   MET  56          2HB       MET  56  -2.019   2.081  -4.256
  443   1HG   MET  56          1HG       MET  56  -2.628  -0.261  -4.331
  444   2HG   MET  56          2HG       MET  56  -3.638   0.601  -5.491
  445   1HE   MET  56          3HE       MET  56  -4.268  -0.298  -7.247
  446   2HE   MET  56          2HE       MET  56  -3.101   0.444  -8.339
  447   3HE   MET  56          1HE       MET  56  -3.431  -1.282  -8.455
  448    H    PHE  57           H        PHE  57  -2.510   4.467  -4.970
  449    HA   PHE  57           HA       PHE  57  -5.397   4.316  -5.325
  450   1HB   PHE  57          1HB       PHE  57  -3.435   6.209  -4.100
  451   2HB   PHE  57          2HB       PHE  57  -5.029   6.850  -4.490
  452    HD1  PHE  57           HD1      PHE  57  -7.050   5.977  -3.406
  453    HD2  PHE  57           HD2      PHE  57  -3.168   4.444  -2.404
  454    HE1  PHE  57           HE1      PHE  57  -7.992   4.886  -1.397
  455    HE2  PHE  57           HE2      PHE  57  -4.101   3.361  -0.396
  456    HZ   PHE  57           HZ       PHE  57  -6.523   3.577   0.112
  457    H    GLU  58           H        GLU  58  -2.778   5.975  -7.098
  458    HA   GLU  58           HA       GLU  58  -4.431   7.782  -8.610
  459   1HB   GLU  58          1HB       GLU  58  -1.950   7.879  -8.526
  460   2HB   GLU  58          2HB       GLU  58  -1.866   6.354  -9.408
  461   1HG   GLU  58          1HG       GLU  58  -3.017   7.386 -11.324
  462   2HG   GLU  58          2HG       GLU  58  -3.133   8.909 -10.441
  463    H    LYS  59           H        LYS  59  -3.578   4.335  -9.125
  464    HA   LYS  59           HA       LYS  59  -4.690   4.033 -11.747
  465   1HB   LYS  59          1HB       LYS  59  -3.358   2.387 -10.188
  466   2HB   LYS  59          2HB       LYS  59  -4.960   1.908  -9.625
  467   1HG   LYS  59          1HG       LYS  59  -4.643   0.424 -11.393
  468   2HG   LYS  59          2HG       LYS  59  -5.491   1.743 -12.201
  469   1HD   LYS  59          1HD       LYS  59  -3.447   2.637 -13.081
  470   2HD   LYS  59          2HD       LYS  59  -2.472   1.574 -12.066
  471   1HE   LYS  59          1HE       LYS  59  -4.425   0.450 -14.086
  472   2HE   LYS  59          2HE       LYS  59  -2.754   0.854 -14.527
  473   1HZ   LYS  59          3HZ       LYS  59  -2.056  -0.450 -12.530
  474   2HZ   LYS  59          2HZ       LYS  59  -3.658  -1.000 -12.392
  475   3HZ   LYS  59          1HZ       LYS  59  -2.741  -1.383 -13.771
  476    H    LEU  60           H        LEU  60  -6.281   3.902  -8.537
  477    HA   LEU  60           HA       LEU  60  -8.878   3.052  -9.407
  478   1HB   LEU  60          1HB       LEU  60  -7.745   4.587  -7.099
  479   2HB   LEU  60          2HB       LEU  60  -9.490   4.682  -7.343
  480    HG   LEU  60           HG       LEU  60  -9.561   2.178  -7.418
  481   1HD1  LEU  60          1HD1      LEU  60  -7.178   1.881  -8.086
  482   2HD1  LEU  60          3HD1      LEU  60  -6.685   2.426  -6.483
  483   3HD1  LEU  60          2HD1      LEU  60  -7.599   0.928  -6.664
  484   1HD2  LEU  60          1HD2      LEU  60  -8.418   3.528  -4.955
  485   2HD2  LEU  60          3HD2      LEU  60 -10.120   3.260  -5.333
  486   3HD2  LEU  60          2HD2      LEU  60  -9.076   1.892  -4.947
  487    H    GLU  61           H        GLU  61  -7.441   6.345  -9.250
  488    HA   GLU  61           HA       GLU  61  -9.761   7.818 -10.068
  489   1HB   GLU  61          1HB       GLU  61  -7.291   8.515  -9.337
  490   2HB   GLU  61          2HB       GLU  61  -7.037   8.565 -11.082
  491   1HG   GLU  61          1HG       GLU  61  -8.786  10.185 -11.376
  492   2HG   GLU  61          2HG       GLU  61  -9.330   9.987  -9.709
  493    H    ARG  62           H        ARG  62  -7.386   5.954 -11.981
  494    HA   ARG  62           HA       ARG  62  -8.860   6.681 -14.483
  495   1HB   ARG  62          1HB       ARG  62  -6.104   5.754 -13.752
  496   2HB   ARG  62          2HB       ARG  62  -6.719   5.334 -15.352
  497   1HG   ARG  62          1HG       ARG  62  -6.873   8.159 -14.301
  498   2HG   ARG  62          2HG       ARG  62  -5.440   7.563 -15.139
  499   1HD   ARG  62          1HD       ARG  62  -8.170   7.204 -16.374
  500   2HD   ARG  62          2HD       ARG  62  -7.282   8.729 -16.571
  501    HE   ARG  62           HE       ARG  62  -6.046   6.090 -17.274
  502   1HH1  ARG  62          1HH1      ARG  62  -3.941   7.273 -18.061
  503   2HH1  ARG  62          2HH1      ARG  62  -4.248   8.296 -19.424
  504   1HH2  ARG  62          1HH2      ARG  62  -7.684   8.332 -18.958
  505   2HH2  ARG  62          2HH2      ARG  62  -6.368   8.896 -19.932
  506    H    ALA  63           H        ALA  63  -9.890   4.665 -12.418
  507    HA   ALA  63           HA       ALA  63  -9.673   2.149 -14.036
  508   1HB   ALA  63          1HB       ALA  63  -9.160   2.482 -11.445
  509   2HB   ALA  63          2HB       ALA  63  -9.954   1.016 -12.020
  510   3HB   ALA  63          3HB       ALA  63 -10.910   2.314 -11.308
  511    H    ARG  64           H        ARG  64 -11.814   0.842 -14.077
  512    HA   ARG  64           HA       ARG  64 -13.969   2.604 -15.035
  513   1HB   ARG  64          1HB       ARG  64 -13.439  -0.347 -14.874
  514   2HB   ARG  64          2HB       ARG  64 -15.094   0.196 -15.149
  515   1HG   ARG  64          1HG       ARG  64 -14.404   0.148 -17.339
  516   2HG   ARG  64          2HG       ARG  64 -13.835   1.768 -16.934
  517   1HD   ARG  64          1HD       ARG  64 -11.591   0.983 -16.560
  518   2HD   ARG  64          2HD       ARG  64 -12.111  -0.714 -16.636
  519    HE   ARG  64           HE       ARG  64 -12.534  -0.431 -19.021
  520   1HH1  ARG  64          1HH1      ARG  64 -13.233   1.918 -20.033
  521   2HH1  ARG  64          2HH1      ARG  64 -11.809   2.857 -20.332
  522   1HH2  ARG  64          1HH2      ARG  64  -9.789   0.936 -18.269
  523   2HH2  ARG  64          2HH2      ARG  64  -9.859   2.300 -19.334
  524    H    ALA  65           H        ALA  65 -16.199   2.568 -14.140
  525    HA   ALA  65           HA       ALA  65 -16.179   2.544 -11.183
  526   1HB   ALA  65          3HB       ALA  65 -18.135   3.324 -13.347
  527   2HB   ALA  65          2HB       ALA  65 -18.643   3.251 -11.659
  528   3HB   ALA  65          1HB       ALA  65 -17.357   4.354 -12.145
  529    H    THR  66           H        THR  66 -17.586   0.549 -13.807
  530    HA   THR  66           HA       THR  66 -19.490  -0.977 -12.394
  531    HB   THR  66           HB       THR  66 -17.597  -2.422 -14.205
  532    HG1  THR  66           HG1      THR  66 -18.218  -1.228 -15.944
  533   1HG2  THR  66          2HG2      THR  66 -20.567  -2.180 -13.791
  534   2HG2  THR  66          1HG2      THR  66 -19.927  -2.856 -15.289
  535   3HG2  THR  66          3HG2      THR  66 -19.557  -3.625 -13.746
  536    H    THR  67           H        THR  67 -15.918  -1.347 -12.313
  537    HA   THR  67           HA       THR  67 -16.263  -3.511 -10.261
  538    HB   THR  67           HB       THR  67 -13.687  -2.808 -11.650
  539    HG1  THR  67           HG1      THR  67 -14.309  -3.980 -13.408
  540   1HG2  THR  67          2HG2      THR  67 -13.849  -4.527  -9.810
  541   2HG2  THR  67          1HG2      THR  67 -14.894  -5.472 -10.871
  542   3HG2  THR  67          3HG2      THR  67 -13.223  -5.152 -11.336
  543    H    LYS  68           H        LYS  68 -15.124  -3.278  -8.225
  544    HA   LYS  68           HA       LYS  68 -14.087  -0.506  -7.713
  545   1HB   LYS  68          1HB       LYS  68 -16.251  -1.711  -6.634
  546   2HB   LYS  68          2HB       LYS  68 -15.017  -2.283  -5.511
  547   1HG   LYS  68          1HG       LYS  68 -15.461  -0.288  -4.475
  548   2HG   LYS  68          2HG       LYS  68 -14.306   0.319  -5.661
  549   1HD   LYS  68          1HD       LYS  68 -15.967   1.230  -7.016
  550   2HD   LYS  68          2HD       LYS  68 -17.204   0.127  -6.413
  551   1HE   LYS  68          1HE       LYS  68 -16.571   1.443  -4.111
  552   2HE   LYS  68          2HE       LYS  68 -16.311   2.727  -5.309
  553   1HZ   LYS  68          3HZ       LYS  68 -18.465   2.216  -6.277
  554   2HZ   LYS  68          2HZ       LYS  68 -18.721   0.995  -5.125
  555   3HZ   LYS  68          1HZ       LYS  68 -18.641   2.621  -4.640
  556    H    LYS  69           H        LYS  69 -12.020  -0.327  -6.751
  557    HA   LYS  69           HA       LYS  69 -10.616  -2.910  -6.140
  558   1HB   LYS  69          1HB       LYS  69 -10.083  -1.027  -8.076
  559   2HB   LYS  69          2HB       LYS  69  -9.037  -0.490  -6.761
  560   1HG   LYS  69          1HG       LYS  69  -7.798  -2.466  -6.760
  561   2HG   LYS  69          2HG       LYS  69  -9.101  -3.401  -7.495
  562   1HD   LYS  69          1HD       LYS  69  -7.958  -1.151  -9.089
  563   2HD   LYS  69          2HD       LYS  69  -6.972  -2.603  -8.910
  564   1HE   LYS  69          1HE       LYS  69  -8.182  -3.447 -10.646
  565   2HE   LYS  69          2HE       LYS  69  -9.520  -3.605  -9.491
  566   1HZ   LYS  69          1HZ       LYS  69  -8.902  -1.074 -10.909
  567   2HZ   LYS  69          3HZ       LYS  69 -10.010  -2.210 -11.508
  568   3HZ   LYS  69          2HZ       LYS  69 -10.297  -1.451 -10.015
  569    H    ILE  70           H        ILE  70  -9.862  -3.094  -4.013
  570    HA   ILE  70           HA       ILE  70  -9.394  -2.495  -1.781
  571    HB   ILE  70           HB       ILE  70  -8.595   0.085  -3.176
  572   1HG1  ILE  70          1HG1      ILE  70  -6.928  -2.366  -2.514
  573   2HG1  ILE  70          2HG1      ILE  70  -7.557  -1.997  -4.120
  574   1HG2  ILE  70          2HG2      ILE  70  -8.768  -0.346  -0.481
  575   2HG2  ILE  70          1HG2      ILE  70  -7.122  -0.891  -0.800
  576   3HG2  ILE  70          3HG2      ILE  70  -7.607   0.748  -1.231
  577   1HD1  ILE  70          3HD1      ILE  70  -6.034   0.154  -2.724
  578   2HD1  ILE  70          2HD1      ILE  70  -5.112  -1.213  -3.349
  579   3HD1  ILE  70          1HD1      ILE  70  -6.099  -0.242  -4.442
  580    H    GLU  71           H        GLU  71 -11.484  -2.400  -0.791
  581    HA   GLU  71           HA       GLU  71 -12.917   0.232  -0.970
  582   1HB   GLU  71          1HB       GLU  71 -13.724  -2.635  -0.503
  583   2HB   GLU  71          2HB       GLU  71 -14.786  -1.324   0.012
  584   1HG   GLU  71          1HG       GLU  71 -14.951  -0.466  -2.227
  585   2HG   GLU  71          2HG       GLU  71 -13.670  -1.538  -2.794
  586    H    ASP  72           H        ASP  72 -13.305   1.403   0.957
  587    HA   ASP  72           HA       ASP  72 -12.989   2.048   3.202
  588   1HB   ASP  72          1HB       ASP  72 -13.736  -0.862   3.221
  589   2HB   ASP  72          2HB       ASP  72 -13.330  -0.075   4.746
  590    H    LEU  73           H        LEU  73 -11.657   1.196   5.348
  591    HA   LEU  73           HA       LEU  73  -8.874   0.778   4.343
  592   1HB   LEU  73          1HB       LEU  73  -9.444   2.727   5.781
  593   2HB   LEU  73          2HB       LEU  73  -9.918   1.616   7.067
  594    HG   LEU  73           HG       LEU  73  -7.543   0.610   6.778
  595   1HD1  LEU  73          3HD1      LEU  73  -7.310   2.116   4.632
  596   2HD1  LEU  73          2HD1      LEU  73  -6.857   3.363   5.795
  597   3HD1  LEU  73          1HD1      LEU  73  -5.916   1.876   5.685
  598   1HD2  LEU  73          1HD2      LEU  73  -8.352   3.178   8.073
  599   2HD2  LEU  73          3HD2      LEU  73  -7.808   1.673   8.813
  600   3HD2  LEU  73          2HD2      LEU  73  -6.637   2.767   8.075
  601    H    THR  74           H        THR  74 -11.305  -0.813   6.441
  602    HA   THR  74           HA       THR  74  -9.272  -2.866   7.206
  603    HB   THR  74           HB       THR  74 -11.641  -3.520   8.461
  604    HG1  THR  74           HG1      THR  74 -12.689  -1.680   8.957
  605   1HG2  THR  74          1HG2      THR  74  -9.202  -1.985   9.145
  606   2HG2  THR  74          3HG2      THR  74 -10.564  -1.784  10.247
  607   3HG2  THR  74          2HG2      THR  74  -9.908  -3.393   9.940
  608    H    GLU  75           H        GLU  75 -10.080  -2.905   4.437
  609    HA   GLU  75           HA       GLU  75 -11.765  -5.389   4.372
  610   1HB   GLU  75          1HB       GLU  75 -12.395  -2.959   3.349
  611   2HB   GLU  75          2HB       GLU  75 -11.512  -3.638   1.982
  612   1HG   GLU  75          1HG       GLU  75 -13.521  -5.393   3.318
  613   2HG   GLU  75          2HG       GLU  75 -14.133  -4.073   2.320
  614    H    LEU  76           H        LEU  76  -8.780  -5.251   4.647
  615    HA   LEU  76           HA       LEU  76  -8.093  -6.800   2.198
  616   1HB   LEU  76          1HB       LEU  76  -6.725  -4.314   3.258
  617   2HB   LEU  76          2HB       LEU  76  -5.917  -5.434   2.162
  618    HG   LEU  76           HG       LEU  76  -8.533  -4.004   1.590
  619   1HD1  LEU  76          3HD1      LEU  76  -6.074  -2.862   1.576
  620   2HD1  LEU  76          2HD1      LEU  76  -6.098  -3.547  -0.050
  621   3HD1  LEU  76          1HD1      LEU  76  -7.353  -2.412   0.449
  622   1HD2  LEU  76          2HD2      LEU  76  -6.901  -6.064   0.129
  623   2HD2  LEU  76          1HD2      LEU  76  -8.651  -5.962   0.314
  624   3HD2  LEU  76          3HD2      LEU  76  -7.818  -4.872  -0.793
  625    H    GLU  77           H        GLU  77  -6.264  -8.279   2.583
  626    HA   GLU  77           HA       GLU  77  -5.994  -9.033   5.435
  627   1HB   GLU  77          1HB       GLU  77  -6.313 -10.690   3.596
  628   2HB   GLU  77          2HB       GLU  77  -4.756 -10.207   2.921
  629   1HG   GLU  77          1HG       GLU  77  -3.698 -10.823   5.124
  630   2HG   GLU  77          2HG       GLU  77  -5.254 -11.485   5.623
  631    H    GLY  78           H        GLY  78  -4.424  -8.014   6.696
  632   1HA   GLY  78          2HA       GLY  78  -2.048  -6.874   5.346
  633   2HA   GLY  78          1HA       GLY  78  -1.752  -8.128   6.546
  634    H    TRP  79           H        TRP  79  -4.225  -5.512   6.672
  635    HA   TRP  79           HA       TRP  79  -2.748  -3.775   8.422
  636   1HB   TRP  79          1HB       TRP  79  -4.940  -2.747   8.879
  637   2HB   TRP  79          2HB       TRP  79  -4.770  -3.111   7.164
  638    HD1  TRP  79           HD1      TRP  79  -6.492  -4.699   6.100
  639    HE1  TRP  79           HE1      TRP  79  -8.517  -6.026   6.984
  640    HE3  TRP  79           HE3      TRP  79  -5.823  -4.082  11.123
  641    HZ2  TRP  79           HZ2      TRP  79  -9.699  -6.730   9.492
  642    HZ3  TRP  79           HZ3      TRP  79  -7.412  -5.088  12.736
  643    HH2  TRP  79           HH2      TRP  79  -9.349  -6.409  11.927
  644    H    GLU  80           H        GLU  80  -4.553  -6.735   9.170
  645    HA   GLU  80           HA       GLU  80  -5.101  -6.371  11.920
  646   1HB   GLU  80          1HB       GLU  80  -5.486  -8.379  10.261
  647   2HB   GLU  80          2HB       GLU  80  -3.950  -8.961  10.904
  648   1HG   GLU  80          1HG       GLU  80  -4.801  -9.276  13.038
  649   2HG   GLU  80          2HG       GLU  80  -6.046  -8.042  12.835
  650    H    GLU  81           H        GLU  81  -1.908  -6.909  10.394
  651    HA   GLU  81           HA       GLU  81  -0.714  -7.067  13.142
  652   1HB   GLU  81          1HB       GLU  81  -0.455  -8.932  11.407
  653   2HB   GLU  81          2HB       GLU  81   0.569  -7.811  10.508
  654   1HG   GLU  81          1HG       GLU  81   2.229  -7.803  12.143
  655   2HG   GLU  81          2HG       GLU  81   1.111  -8.273  13.424
  656    H    LEU  82           H        LEU  82  -1.424  -4.465  11.615
  657    HA   LEU  82           HA       LEU  82   1.354  -3.387  11.311
  658   1HB   LEU  82          1HB       LEU  82  -1.304  -2.272  10.351
  659   2HB   LEU  82          2HB       LEU  82   0.292  -1.679   9.913
  660    HG   LEU  82           HG       LEU  82  -0.959  -4.333   9.162
  661   1HD1  LEU  82          2HD1      LEU  82  -1.119  -1.906   7.922
  662   2HD1  LEU  82          1HD1      LEU  82   0.317  -2.578   7.151
  663   3HD1  LEU  82          3HD1      LEU  82  -1.213  -3.451   7.079
  664   1HD2  LEU  82          3HD2      LEU  82   1.891  -3.554   9.364
  665   2HD2  LEU  82          2HD2      LEU  82   1.167  -5.160   9.295
  666   3HD2  LEU  82          1HD2      LEU  82   1.432  -4.251   7.808
  667    H    GLU  83           H        GLU  83   0.815  -0.653  11.712
  668    HA   GLU  83           HA       GLU  83   0.227  -0.628  14.640
  669   1HB   GLU  83          1HB       GLU  83   1.758   1.060  12.690
  670   2HB   GLU  83          2HB       GLU  83   1.179   1.815  14.174
  671   1HG   GLU  83          1HG       GLU  83   2.289   0.044  15.500
  672   2HG   GLU  83          2HG       GLU  83   2.894  -0.681  14.010
  673    H    ASP  84           H        ASP  84  -1.096   1.254  15.494
  674    HA   ASP  84           HA       ASP  84  -3.526   1.598  13.858
  675   1HB   ASP  84          1HB       ASP  84  -2.702   2.608  16.601
  676   2HB   ASP  84          2HB       ASP  84  -4.312   2.820  15.912
  677    H    ASN  85           H        ASN  85  -0.887   3.706  15.056
  678    HA   ASN  85           HA       ASN  85  -1.980   6.194  14.105
  679   1HB   ASN  85          1HB       ASN  85   0.162   5.544  15.576
  680   2HB   ASN  85          2HB       ASN  85   0.973   5.698  14.017
  681   1HD2  ASN  85          2HD2      ASN  85  -1.266   7.541  16.198
  682   2HD2  ASN  85          1HD2      ASN  85  -0.704   9.064  15.703
  683    H    GLU  86           H        GLU  86   0.363   3.961  12.529
  684    HA   GLU  86           HA       GLU  86   0.504   5.400  10.037
  685   1HB   GLU  86          1HB       GLU  86   0.806   2.428  10.612
  686   2HB   GLU  86          2HB       GLU  86   1.368   3.239   9.149
  687   1HG   GLU  86          1HG       GLU  86   2.576   4.815  10.936
  688   2HG   GLU  86          2HG       GLU  86   2.468   3.357  11.923
  689    H    LYS  87           H        LYS  87  -1.665   2.773  11.144
  690    HA   LYS  87           HA       LYS  87  -3.083   2.376   8.690
  691   1HB   LYS  87          1HB       LYS  87  -3.234   0.929  10.719
  692   2HB   LYS  87          2HB       LYS  87  -4.125   2.210  11.539
  693   1HG   LYS  87          1HG       LYS  87  -6.044   1.824  10.355
  694   2HG   LYS  87          2HG       LYS  87  -5.172   1.391   8.884
  695   1HD   LYS  87          1HD       LYS  87  -5.109  -0.820   9.419
  696   2HD   LYS  87          2HD       LYS  87  -4.788  -0.497  11.123
  697   1HE   LYS  87          1HE       LYS  87  -7.499   0.277  10.204
  698   2HE   LYS  87          2HE       LYS  87  -7.170  -1.467  10.221
  699   1HZ   LYS  87          2HZ       LYS  87  -6.467   0.343  12.465
  700   2HZ   LYS  87          1HZ       LYS  87  -7.927  -0.523  12.401
  701   3HZ   LYS  87          3HZ       LYS  87  -6.450  -1.356  12.460
  702    H    GLU  88           H        GLU  88  -3.499   4.851  11.233
  703    HA   GLU  88           HA       GLU  88  -6.012   5.893  10.216
  704   1HB   GLU  88          1HB       GLU  88  -5.077   6.274  12.514
  705   2HB   GLU  88          2HB       GLU  88  -3.831   7.300  11.804
  706   1HG   GLU  88          1HG       GLU  88  -6.586   7.982  10.981
  707   2HG   GLU  88          2HG       GLU  88  -6.262   8.209  12.700
  708    H    GLN  89           H        GLN  89  -2.579   6.640   9.485
  709    HA   GLN  89           HA       GLN  89  -3.154   8.996   7.884
  710   1HB   GLN  89          1HB       GLN  89  -0.818   7.064   8.002
  711   2HB   GLN  89          2HB       GLN  89  -0.808   8.517   7.001
  712   1HG   GLN  89          1HG       GLN  89  -1.492   8.702   9.926
  713   2HG   GLN  89          2HG       GLN  89   0.195   8.649   9.410
  714   1HE2  GLN  89          1HE2      GLN  89   0.581  10.931  10.010
  715   2HE2  GLN  89          2HE2      GLN  89  -0.104  12.194   9.105
  716    H    ILE  90           H        ILE  90  -2.738   5.528   7.043
  717    HA   ILE  90           HA       ILE  90  -2.964   5.942   4.185
  718    HB   ILE  90           HB       ILE  90  -2.062   3.877   5.209
  719   1HG1  ILE  90          1HG1      ILE  90  -4.498   2.910   3.779
  720   2HG1  ILE  90          2HG1      ILE  90  -3.453   4.046   2.925
  721   1HG2  ILE  90          3HG2      ILE  90  -4.890   3.624   6.220
  722   2HG2  ILE  90          2HG2      ILE  90  -3.869   2.206   6.009
  723   3HG2  ILE  90          1HG2      ILE  90  -3.382   3.485   7.116
  724   1HD1  ILE  90          2HD1      ILE  90  -1.500   2.540   3.555
  725   2HD1  ILE  90          1HD1      ILE  90  -2.695   1.356   4.082
  726   3HD1  ILE  90          3HD1      ILE  90  -2.637   1.857   2.392
  727    H    THR  91           H        THR  91  -5.434   5.646   6.750
  728    HA   THR  91           HA       THR  91  -7.686   5.178   4.993
  729    HB   THR  91           HB       THR  91  -7.978   6.819   7.482
  730    HG1  THR  91           HG1      THR  91  -7.445   5.116   8.766
  731   1HG2  THR  91          2HG2      THR  91  -9.442   4.713   5.985
  732   2HG2  THR  91          1HG2      THR  91  -9.612   4.687   7.741
  733   3HG2  THR  91          3HG2      THR  91 -10.062   6.130   6.832
  734    H    GLN  92           H        GLN  92  -6.117   8.169   6.185
  735    HA   GLN  92           HA       GLN  92  -7.956  10.090   5.174
  736   1HB   GLN  92          1HB       GLN  92  -5.039   9.996   5.803
  737   2HB   GLN  92          2HB       GLN  92  -5.581  11.344   4.800
  738   1HG   GLN  92          1HG       GLN  92  -5.783  12.111   7.048
  739   2HG   GLN  92          2HG       GLN  92  -7.425  11.704   6.543
  740   1HE2  GLN  92          1HE2      GLN  92  -8.385   9.674   7.422
  741   2HE2  GLN  92          2HE2      GLN  92  -7.705   8.933   8.790
  742    H    HIS  93           H        HIS  93  -5.405   8.271   3.430
  743    HA   HIS  93           HA       HIS  93  -5.423   9.737   0.976
  744   1HB   HIS  93          1HB       HIS  93  -4.365   7.261   1.946
  745   2HB   HIS  93          2HB       HIS  93  -5.235   6.886   0.464
  746    HD1  HIS  93           HD1      HIS  93  -3.969   7.293  -1.645
  747    HD2  HIS  93           HD2      HIS  93  -2.453   9.539   1.516
  748    HE1  HIS  93           HE1      HIS  93  -1.911   8.476  -2.527
  749    H    ILE  94           H        ILE  94  -7.508   6.951   1.947
  750    HA   ILE  94           HA       ILE  94  -9.041   6.914  -0.499
  751    HB   ILE  94           HB       ILE  94  -9.726   6.043   2.334
  752   1HG1  ILE  94          1HG1      ILE  94  -9.090   4.170   0.098
  753   2HG1  ILE  94          2HG1      ILE  94  -7.753   5.087   0.791
  754   1HG2  ILE  94          2HG2      ILE  94 -11.732   6.377   0.819
  755   2HG2  ILE  94          1HG2      ILE  94 -11.037   5.166  -0.258
  756   3HG2  ILE  94          3HG2      ILE  94 -11.511   4.720   1.381
  757   1HD1  ILE  94          3HD1      ILE  94  -8.376   4.278   3.043
  758   2HD1  ILE  94          2HD1      ILE  94  -9.690   3.338   2.333
  759   3HD1  ILE  94          1HD1      ILE  94  -8.014   2.941   1.951
  760    H    ALA  95           H        ALA  95  -9.466   8.745   2.547
  761    HA   ALA  95           HA       ALA  95 -12.057   9.841   1.919
  762   1HB   ALA  95          3HB       ALA  95 -11.121  11.737   3.492
  763   2HB   ALA  95          1HB       ALA  95  -9.748  10.646   3.681
  764   3HB   ALA  95          2HB       ALA  95 -11.364  10.120   4.153
  765    H    ASP  96           H        ASP  96  -8.744  10.967   1.140
  766    HA   ASP  96           HA       ASP  96  -9.647  13.438  -0.136
  767   1HB   ASP  96          1HB       ASP  96  -7.090  11.827  -0.091
  768   2HB   ASP  96          2HB       ASP  96  -7.245  13.233  -1.145
  769    H    LEU  97           H        LEU  97  -8.926  10.125  -1.310
  770    HA   LEU  97           HA       LEU  97  -9.321  10.867  -4.132
  771   1HB   LEU  97          1HB       LEU  97  -7.812   9.035  -3.368
  772   2HB   LEU  97          2HB       LEU  97  -9.216   8.152  -2.768
  773    HG   LEU  97           HG       LEU  97 -10.100   8.514  -5.237
  774   1HD1  LEU  97          2HD1      LEU  97  -7.084   8.672  -5.525
  775   2HD1  LEU  97          1HD1      LEU  97  -8.211   8.412  -6.856
  776   3HD1  LEU  97          3HD1      LEU  97  -8.238   9.931  -5.961
  777   1HD2  LEU  97          3HD2      LEU  97  -9.134   6.397  -3.855
  778   2HD2  LEU  97          2HD2      LEU  97  -9.623   6.288  -5.547
  779   3HD2  LEU  97          1HD2      LEU  97  -7.921   6.490  -5.132
  780    H    SER  98           H        SER  98 -11.362   9.514  -1.519
  781    HA   SER  98           HA       SER  98 -13.569   8.996  -3.452
  782   1HB   SER  98          1HB       SER  98 -13.307   8.608  -0.450
  783   2HB   SER  98          2HB       SER  98 -14.685   8.081  -1.413
  784    HG   SER  98           HG       SER  98 -12.979   6.482  -1.010
  785    H    SER  99           H        SER  99 -12.796  11.199  -0.716
  786    HA   SER  99           HA       SER  99 -15.312  12.712  -1.341
  787   1HB   SER  99          1HB       SER  99 -13.806  11.987   1.086
  788   2HB   SER  99          2HB       SER  99 -14.317  13.672   1.047
  789    HG   SER  99           HG       SER  99 -16.418  13.015   0.807
  790    H    LYS 100           H        LYS 100 -14.396  13.999  -3.106
  791    HA   LYS 100           HA       LYS 100 -12.274  15.932  -2.218
  792   1HB   LYS 100          1HB       LYS 100 -11.556  14.229  -3.893
  793   2HB   LYS 100          2HB       LYS 100 -12.833  14.786  -4.975
  794   1HG   LYS 100          1HG       LYS 100 -11.807  16.877  -5.313
  795   2HG   LYS 100          2HG       LYS 100 -10.806  16.722  -3.869
  796   1HD   LYS 100          1HD       LYS 100 -10.518  14.800  -6.176
  797   2HD   LYS 100          2HD       LYS 100  -9.665  16.345  -6.162
  798   1HE   LYS 100          1HE       LYS 100  -9.035  15.512  -3.677
  799   2HE   LYS 100          2HE       LYS 100  -9.226  13.934  -4.464
  800   1HZ   LYS 100          1HZ       LYS 100  -7.684  16.169  -5.658
  801   2HZ   LYS 100          3HZ       LYS 100  -6.967  14.963  -4.707
  802   3HZ   LYS 100          2HZ       LYS 100  -7.726  14.549  -6.170
  803    H    ALA 101           H        ALA 101 -12.468  18.116  -3.316
  804    HA   ALA 101           HA       ALA 101 -15.294  18.705  -4.147
  805   1HB   ALA 101          2HB       ALA 101 -14.612  20.992  -3.018
  806   2HB   ALA 101          1HB       ALA 101 -15.098  19.632  -2.006
  807   3HB   ALA 101          3HB       ALA 101 -13.388  20.006  -2.219
  808    H    ALA 102           H        ALA 102 -15.468  20.616  -5.640
  809    HA   ALA 102           HA       ALA 102 -12.909  21.374  -6.984
  810   1HB   ALA 102          2HB       ALA 102 -15.386  20.105  -8.172
  811   2HB   ALA 102          3HB       ALA 102 -13.720  19.537  -8.279
  812   3HB   ALA 102          1HB       ALA 102 -14.217  20.979  -9.163
  813    H    GLY 103           H        GLY 103 -12.925  23.628  -6.785
  814   1HA   GLY 103          2HA       GLY 103 -15.474  25.023  -7.489
  815   2HA   GLY 103          1HA       GLY 103 -13.863  25.708  -7.717
  816    H    THR 104           H        THR 104 -16.100  24.572  -5.124
  817    HA   THR 104           HA       THR 104 -14.870  26.653  -3.341
  818    HB   THR 104           HB       THR 104 -17.251  26.651  -2.371
  819    HG1  THR 104           HG1      THR 104 -18.795  25.670  -3.550
  820   1HG2  THR 104          2HG2      THR 104 -16.152  28.222  -4.197
  821   2HG2  THR 104          1HG2      THR 104 -17.334  27.451  -5.255
  822   3HG2  THR 104          3HG2      THR 104 -17.873  28.341  -3.830
  823    HA   PRO 105           HA       PRO 105 -14.118  23.337  -0.519
  824   1HB   PRO 105          1HB       PRO 105 -14.192  24.656   1.876
  825   2HB   PRO 105          2HB       PRO 105 -12.843  24.807   0.734
  826   1HG   PRO 105          1HG       PRO 105 -15.114  26.661   1.237
  827   2HG   PRO 105          2HG       PRO 105 -13.416  27.022   0.886
  828   1HD   PRO 105          1HD       PRO 105 -15.418  27.194  -0.964
  829   2HD   PRO 105          2HD       PRO 105 -13.717  26.877  -1.373
  830    H    LYS 106           H        LYS 106 -16.066  22.040  -0.706
  831    HA   LYS 106           HA       LYS 106 -18.202  22.707   1.298
  832   1HB   LYS 106          1HB       LYS 106 -18.473  22.841  -1.380
  833   2HB   LYS 106          2HB       LYS 106 -18.812  21.125  -1.155
  834   1HG   LYS 106          1HG       LYS 106 -20.714  21.523   0.116
  835   2HG   LYS 106          2HG       LYS 106 -20.147  23.104   0.655
  836   1HD   LYS 106          1HD       LYS 106 -20.367  23.825  -1.810
  837   2HD   LYS 106          2HD       LYS 106 -21.312  22.352  -2.027
  838   1HE   LYS 106          1HE       LYS 106 -22.062  24.050   0.304
  839   2HE   LYS 106          2HE       LYS 106 -22.459  24.686  -1.306
  840   1HZ   LYS 106          2HZ       LYS 106 -23.050  21.917  -0.405
  841   2HZ   LYS 106          1HZ       LYS 106 -24.187  23.180  -0.409
  842   3HZ   LYS 106          3HZ       LYS 106 -23.523  22.632  -1.871
  843    H    LYS 107           H        LYS 107 -18.989  20.900   2.530
  844    HA   LYS 107           HA       LYS 107 -17.555  18.305   2.056
  845   1HB   LYS 107          1HB       LYS 107 -18.063  20.010   4.453
  846   2HB   LYS 107          2HB       LYS 107 -18.102  18.262   4.689
  847   1HG   LYS 107          1HG       LYS 107 -15.867  18.157   3.493
  848   2HG   LYS 107          2HG       LYS 107 -15.822  19.918   3.583
  849   1HD   LYS 107          1HD       LYS 107 -15.480  19.933   5.855
  850   2HD   LYS 107          2HD       LYS 107 -16.419  18.462   6.111
  851   1HE   LYS 107          1HE       LYS 107 -14.618  17.060   5.595
  852   2HE   LYS 107          2HE       LYS 107 -13.800  18.305   4.630
  853   1HZ   LYS 107          3HZ       LYS 107 -13.525  19.612   6.671
  854   2HZ   LYS 107          2HZ       LYS 107 -14.213  18.349   7.574
  855   3HZ   LYS 107          1HZ       LYS 107 -12.732  18.117   6.774
  856    H    LYS 108           H        LYS 108 -18.909  16.487   1.882
  857    HA   LYS 108           HA       LYS 108 -21.809  16.894   2.549
  858   1HB   LYS 108          1HB       LYS 108 -20.783  16.565   0.105
  859   2HB   LYS 108          2HB       LYS 108 -20.838  14.865   0.572
  860   1HG   LYS 108          1HG       LYS 108 -22.944  15.248  -0.435
  861   2HG   LYS 108          2HG       LYS 108 -23.274  15.341   1.295
  862   1HD   LYS 108          1HD       LYS 108 -23.119  17.793   1.210
  863   2HD   LYS 108          2HD       LYS 108 -22.750  17.719  -0.513
  864   1HE   LYS 108          1HE       LYS 108 -25.273  16.468   0.589
  865   2HE   LYS 108          2HE       LYS 108 -25.214  18.179   0.122
  866   1HZ   LYS 108          3HZ       LYS 108 -24.258  17.467  -2.024
  867   2HZ   LYS 108          2HZ       LYS 108 -24.511  15.847  -1.580
  868   3HZ   LYS 108          1HZ       LYS 108 -25.835  16.891  -1.789
  869    H    ALA 109           H        ALA 109 -22.702  15.378   3.989
  870    HA   ALA 109           HA       ALA 109 -20.979  13.028   4.714
  871   1HB   ALA 109          2HB       ALA 109 -21.599  15.099   6.286
  872   2HB   ALA 109          3HB       ALA 109 -21.504  13.461   6.932
  873   3HB   ALA 109          1HB       ALA 109 -23.072  14.160   6.528
  874    H    VAL 110           H        VAL 110 -22.299  11.086   5.503
  875    HA   VAL 110           HA       VAL 110 -24.946  10.951   4.088
  876    HB   VAL 110           HB       VAL 110 -22.806   8.832   4.497
  877   1HG1  VAL 110          3HG1      VAL 110 -25.575   8.792   3.331
  878   2HG1  VAL 110          2HG1      VAL 110 -24.339   7.721   2.668
  879   3HG1  VAL 110          1HG1      VAL 110 -24.787   7.603   4.370
  880   1HG2  VAL 110          1HG2      VAL 110 -22.212  10.604   2.849
  881   2HG2  VAL 110          3HG2      VAL 110 -22.457   9.038   2.076
  882   3HG2  VAL 110          2HG2      VAL 110 -23.712  10.274   1.983
  883    H    VAL 111           H        VAL 111 -26.582  10.791   5.637
  884    HA   VAL 111           HA       VAL 111 -26.095   8.996   7.981
  885    HB   VAL 111           HB       VAL 111 -25.671  11.347   8.607
  886   1HG1  VAL 111          3HG1      VAL 111 -28.487  11.777   7.568
  887   2HG1  VAL 111          2HG1      VAL 111 -27.595  12.959   8.526
  888   3HG1  VAL 111          1HG1      VAL 111 -27.004  12.489   6.932
  889   1HG2  VAL 111          3HG2      VAL 111 -27.955   9.789   9.695
  890   2HG2  VAL 111          2HG2      VAL 111 -26.512  10.389  10.509
  891   3HG2  VAL 111          1HG2      VAL 111 -27.865  11.476  10.199
  892    H    GLN 112           H        GLN 112 -27.972   7.794   8.593
  893    HA   GLN 112           HA       GLN 112 -30.490   8.403   7.079
  894   1HB   GLN 112          1HB       GLN 112 -28.792   6.380   6.492
  895   2HB   GLN 112          2HB       GLN 112 -29.771   5.587   7.726
  896   1HG   GLN 112          1HG       GLN 112 -31.679   5.637   6.446
  897   2HG   GLN 112          2HG       GLN 112 -31.227   7.142   5.645
  898   1HE2  GLN 112          1HE2      GLN 112 -29.712   6.998   3.779
  899   2HE2  GLN 112          2HE2      GLN 112 -29.448   5.509   3.008
  900    H    ALA 113           H        ALA 113 -31.857   9.106   8.766
  901    HA   ALA 113           HA       ALA 113 -31.974   7.367  11.213
  902   1HB   ALA 113          2HB       ALA 113 -32.004  10.337  10.757
  903   2HB   ALA 113          1HB       ALA 113 -32.831   9.676  12.168
  904   3HB   ALA 113          3HB       ALA 113 -31.101   9.405  11.952
  905    H    LYS 114           H        LYS 114 -34.079   6.696  11.846
  906    HA   LYS 114           HA       LYS 114 -36.344   7.687  10.139
  907   1HB   LYS 114          1HB       LYS 114 -35.390   5.286   9.898
  908   2HB   LYS 114          2HB       LYS 114 -36.146   4.978  11.462
  909   1HG   LYS 114          1HG       LYS 114 -37.822   6.313   9.393
  910   2HG   LYS 114          2HG       LYS 114 -37.457   4.606   9.146
  911   1HD   LYS 114          1HD       LYS 114 -38.347   5.480  11.866
  912   2HD   LYS 114          2HD       LYS 114 -39.559   5.353  10.591
  913   1HE   LYS 114          1HE       LYS 114 -37.613   3.092  11.023
  914   2HE   LYS 114          2HE       LYS 114 -39.063   3.229  12.037
  915   1HZ   LYS 114          1HZ       LYS 114 -39.044   3.296   9.065
  916   2HZ   LYS 114          3HZ       LYS 114 -39.497   1.956  10.002
  917   3HZ   LYS 114          2HZ       LYS 114 -40.418   3.383  10.060
  918    H    LEU 115           H        LEU 115 -37.392   9.155  11.561
  919    HA   LEU 115           HA       LEU 115 -38.135   8.066  14.259
  920   1HB   LEU 115          1HB       LEU 115 -36.949  10.641  13.330
  921   2HB   LEU 115          2HB       LEU 115 -38.127  10.735  14.640
  922    HG   LEU 115           HG       LEU 115 -35.892   8.720  14.749
  923   1HD1  LEU 115          1HD1      LEU 115 -34.839  10.919  14.352
  924   2HD1  LEU 115          3HD1      LEU 115 -35.773  11.607  15.680
  925   3HD1  LEU 115          2HD1      LEU 115 -34.554  10.373  16.004
  926   1HD2  LEU 115          3HD2      LEU 115 -37.710  10.121  16.719
  927   2HD2  LEU 115          2HD2      LEU 115 -37.560   8.390  16.416
  928   3HD2  LEU 115          1HD2      LEU 115 -36.264   9.257  17.239
  929    H    THR 116           H        THR 116 -40.353   8.274  14.791
  930    HA   THR 116           HA       THR 116 -42.062   9.762  12.819
  931    HB   THR 116           HB       THR 116 -43.734   7.895  13.618
  932    HG1  THR 116           HG1      THR 116 -42.511   7.000  15.223
  933   1HG2  THR 116          3HG2      THR 116 -41.397   7.576  11.745
  934   2HG2  THR 116          2HG2      THR 116 -42.589   6.291  11.932
  935   3HG2  THR 116          1HG2      THR 116 -43.089   7.881  11.353
  936    H    THR 117           H        THR 117 -42.799  11.602  13.923
  937    HA   THR 117           HA       THR 117 -43.828  11.187  16.712
  938    HB   THR 117           HB       THR 117 -42.439  13.661  15.648
  939    HG1  THR 117           HG1      THR 117 -40.588  12.864  16.561
  940   1HG2  THR 117          1HG2      THR 117 -43.252  12.657  18.379
  941   2HG2  THR 117          3HG2      THR 117 -42.074  13.951  18.165
  942   3HG2  THR 117          2HG2      THR 117 -43.726  14.159  17.588

  No H/Q in entry =         942
  Start of MODEL    8
    1    H1   MET   1           H        MET   1 -16.372 -14.677  -2.472
    2    H2   MET   1           HN2      MET   1 -16.016 -16.336  -2.392
    3    HA   MET   1           HA       MET   1 -16.193 -16.405  -4.883
    4   1HB   MET   1          1HB       MET   1 -16.361 -13.439  -4.273
    5   2HB   MET   1          2HB       MET   1 -16.000 -14.074  -5.880
    6   1HG   MET   1          1HG       MET   1 -18.151 -15.469  -5.618
    7   2HG   MET   1          2HG       MET   1 -18.533 -14.399  -4.270
    8   1HE   MET   1          2HE       MET   1 -18.091 -11.821  -4.491
    9   2HE   MET   1          1HE       MET   1 -19.132 -11.009  -5.657
   10   3HE   MET   1          3HE       MET   1 -19.804 -12.224  -4.563
   11    H    ALA   2           H        ALA   2 -14.115 -16.102  -6.097
   12    HA   ALA   2           HA       ALA   2 -11.858 -15.018  -4.468
   13   1HB   ALA   2          3HB       ALA   2 -12.477 -17.634  -4.376
   14   2HB   ALA   2          1HB       ALA   2 -10.806 -17.072  -4.333
   15   3HB   ALA   2          2HB       ALA   2 -11.506 -17.643  -5.848
   16    H    GLU   3           H        GLU   3 -12.071 -13.315  -6.261
   17    HA   GLU   3           HA       GLU   3 -10.862 -14.292  -8.831
   18   1HB   GLU   3          1HB       GLU   3 -12.697 -11.951  -8.215
   19   2HB   GLU   3          2HB       GLU   3 -12.050 -12.330  -9.812
   20   1HG   GLU   3          1HG       GLU   3 -13.129 -14.589  -9.650
   21   2HG   GLU   3          2HG       GLU   3 -13.884 -14.071  -8.141
   22    H    GLN   4           H        GLN   4 -11.116 -11.257  -6.859
   23    HA   GLN   4           HA       GLN   4  -8.258 -10.694  -7.593
   24   1HB   GLN   4          1HB       GLN   4 -10.575  -8.858  -6.890
   25   2HB   GLN   4          2HB       GLN   4  -8.945  -8.318  -7.294
   26   1HG   GLN   4          1HG       GLN   4 -10.705  -9.972  -9.128
   27   2HG   GLN   4          2HG       GLN   4 -10.509  -8.223  -9.244
   28   1HE2  GLN   4          1HE2      GLN   4  -8.631  -7.436 -10.353
   29   2HE2  GLN   4          2HE2      GLN   4  -7.396  -8.453 -10.923
   30    H    ARG   5           H        ARG   5  -6.831 -10.756  -5.843
   31    HA   ARG   5           HA       ARG   5  -7.994 -10.359  -3.102
   32   1HB   ARG   5          1HB       ARG   5  -6.291 -12.441  -4.345
   33   2HB   ARG   5          2HB       ARG   5  -5.772 -11.911  -2.744
   34   1HG   ARG   5          1HG       ARG   5  -7.776 -12.585  -1.728
   35   2HG   ARG   5          2HG       ARG   5  -8.661 -12.582  -3.255
   36   1HD   ARG   5          1HD       ARG   5  -8.299 -14.890  -2.815
   37   2HD   ARG   5          2HD       ARG   5  -7.000 -14.479  -3.952
   38    HE   ARG   5           HE       ARG   5  -5.439 -14.444  -2.108
   39   1HH1  ARG   5          1HH1      ARG   5  -6.623 -17.009  -1.384
   40   2HH1  ARG   5          2HH1      ARG   5  -7.128 -16.777   0.256
   41   1HH2  ARG   5          1HH2      ARG   5  -6.982 -13.317   0.090
   42   2HH2  ARG   5          2HH2      ARG   5  -7.331 -14.686   1.091
   43    H    PHE   6           H        PHE   6  -7.081  -8.604  -2.035
   44    HA   PHE   6           HA       PHE   6  -4.392  -7.649  -2.976
   45   1HB   PHE   6          1HB       PHE   6  -6.990  -6.396  -2.493
   46   2HB   PHE   6          2HB       PHE   6  -5.710  -5.600  -1.583
   47    HD1  PHE   6           HD1      PHE   6  -7.119  -6.221  -4.878
   48    HD2  PHE   6           HD2      PHE   6  -3.703  -4.684  -2.777
   49    HE1  PHE   6           HE1      PHE   6  -6.383  -5.044  -6.933
   50    HE2  PHE   6           HE2      PHE   6  -2.969  -3.509  -4.828
   51    HZ   PHE   6           HZ       PHE   6  -4.307  -3.688  -6.908
   52    H    CYS   7           H        CYS   7  -2.781  -7.443  -1.371
   53    HA   CYS   7           HA       CYS   7  -3.629  -7.854   1.488
   54   1HB   CYS   7          1HB       CYS   7  -2.534  -9.820   0.331
   55   2HB   CYS   7          2HB       CYS   7  -1.101  -8.817   0.103
   56    HG   CYS   7           HG       CYS   7  -0.458  -9.349   2.427
   57    H    VAL   8           H        VAL   8  -2.250  -6.654   3.058
   58    HA   VAL   8           HA       VAL   8  -0.499  -4.581   1.767
   59    HB   VAL   8           HB       VAL   8  -1.406  -2.995   3.491
   60   1HG1  VAL   8          2HG1      VAL   8  -2.972  -4.227   1.296
   61   2HG1  VAL   8          1HG1      VAL   8  -3.881  -3.212   2.415
   62   3HG1  VAL   8          3HG1      VAL   8  -2.503  -2.545   1.542
   63   1HG2  VAL   8          2HG2      VAL   8  -2.287  -5.207   4.795
   64   2HG2  VAL   8          1HG2      VAL   8  -2.968  -3.604   5.047
   65   3HG2  VAL   8          3HG2      VAL   8  -3.762  -4.740   3.956
   66    H    ASP   9           H        ASP   9   1.441  -4.097   2.906
   67    HA   ASP   9           HA       ASP   9   1.829  -5.147   5.644
   68   1HB   ASP   9          1HB       ASP   9   2.794  -6.435   3.142
   69   2HB   ASP   9          2HB       ASP   9   3.947  -6.357   4.475
   70    H    TYR  10           H        TYR  10   3.422  -3.934   6.722
   71    HA   TYR  10           HA       TYR  10   4.441  -1.491   5.682
   72   1HB   TYR  10          1HB       TYR  10   5.059  -3.306   7.962
   73   2HB   TYR  10          2HB       TYR  10   6.325  -2.159   7.536
   74    HD1  TYR  10           HD1      TYR  10   4.943   0.239   6.707
   75    HD2  TYR  10           HD2      TYR  10   3.909  -2.528   9.831
   76    HE1  TYR  10           HE1      TYR  10   3.728   2.042   7.907
   77    HE2  TYR  10           HE2      TYR  10   2.707  -0.724  11.024
   78    HH   TYR  10           HH       TYR  10   3.037   2.088  10.919
   79    H    ALA  11           H        ALA  11   6.626  -0.890   4.949
   80    HA   ALA  11           HA       ALA  11   7.864  -3.018   3.279
   81   1HB   ALA  11          2HB       ALA  11   8.450  -0.052   3.613
   82   2HB   ALA  11          3HB       ALA  11   7.459  -0.775   2.346
   83   3HB   ALA  11          1HB       ALA  11   9.191  -1.097   2.400
   84    H    LYS  12           H        LYS  12  10.129  -3.653   3.517
   85    HA   LYS  12           HA       LYS  12  11.170  -3.208   6.294
   86   1HB   LYS  12          1HB       LYS  12  10.710  -5.486   4.772
   87   2HB   LYS  12          2HB       LYS  12  12.448  -5.247   4.600
   88   1HG   LYS  12          1HG       LYS  12  12.522  -4.971   7.141
   89   2HG   LYS  12          2HG       LYS  12  10.866  -5.579   7.156
   90   1HD   LYS  12          1HD       LYS  12  11.920  -7.495   5.644
   91   2HD   LYS  12          2HD       LYS  12  13.403  -7.007   6.464
   92   1HE   LYS  12          1HE       LYS  12  10.830  -7.726   7.911
   93   2HE   LYS  12          2HE       LYS  12  12.199  -8.834   7.688
   94   1HZ   LYS  12          3HZ       LYS  12  13.640  -7.131   8.695
   95   2HZ   LYS  12          2HZ       LYS  12  12.272  -6.176   9.015
   96   3HZ   LYS  12          1HZ       LYS  12  12.454  -7.685   9.773
   97    H    ARG  13           H        ARG  13  13.889  -3.883   5.835
   98    HA   ARG  13           HA       ARG  13  14.821  -1.400   4.494
   99   1HB   ARG  13          1HB       ARG  13  16.020  -3.510   6.287
  100   2HB   ARG  13          2HB       ARG  13  17.068  -2.383   5.425
  101   1HG   ARG  13          1HG       ARG  13  15.265  -0.636   6.420
  102   2HG   ARG  13          2HG       ARG  13  15.185  -1.879   7.669
  103   1HD   ARG  13          1HD       ARG  13  17.914  -1.647   7.252
  104   2HD   ARG  13          2HD       ARG  13  17.347   0.026   7.085
  105    HE   ARG  13           HE       ARG  13  16.133  -0.346   9.291
  106   1HH1  ARG  13          1HH1      ARG  13  18.594   0.128  10.408
  107   2HH1  ARG  13          2HH1      ARG  13  19.132  -1.360  11.110
  108   1HH2  ARG  13          1HH2      ARG  13  16.918  -3.324   9.303
  109   2HH2  ARG  13          2HH2      ARG  13  18.184  -3.314  10.486
  110    H    GLY  14           H        GLY  14  13.890  -2.748   2.402
  111   1HA   GLY  14          2HA       GLY  14  14.696  -4.715   0.947
  112   2HA   GLY  14          1HA       GLY  14  16.303  -4.028   1.188
  113    H    THR  15           H        THR  15  15.260  -4.296  -1.436
  114    HA   THR  15           HA       THR  15  14.719  -1.427  -2.150
  115    HB   THR  15           HB       THR  15  15.900  -2.259  -4.327
  116    HG1  THR  15           HG1      THR  15  15.957  -4.418  -3.955
  117   1HG2  THR  15          1HG2      THR  15  16.784  -0.860  -2.239
  118   2HG2  THR  15          3HG2      THR  15  17.779  -2.297  -2.006
  119   3HG2  THR  15          2HG2      THR  15  17.879  -1.391  -3.516
  120    H    ALA  16           H        ALA  16  12.521  -1.320  -2.729
  121    HA   ALA  16           HA       ALA  16  11.500  -3.492  -4.528
  122   1HB   ALA  16          2HB       ALA  16   9.306  -2.418  -3.225
  123   2HB   ALA  16          3HB       ALA  16  10.555  -2.379  -1.983
  124   3HB   ALA  16          1HB       ALA  16  10.132  -3.905  -2.760
  125    H    GLY  17           H        GLY  17  11.711  -2.367  -6.527
  126   1HA   GLY  17          2HA       GLY  17  11.193  -0.766  -8.157
  127   2HA   GLY  17          1HA       GLY  17  11.087   0.416  -6.849
  128    H    CYS  18           H        CYS  18   9.061   1.322  -6.672
  129    HA   CYS  18           HA       CYS  18   6.637  -0.198  -6.413
  130   1HB   CYS  18          1HB       CYS  18   6.855   2.068  -5.585
  131   2HB   CYS  18          2HB       CYS  18   7.229   2.678  -7.190
  132    H    LYS  19           H        LYS  19   5.355  -1.192  -7.975
  133    HA   LYS  19           HA       LYS  19   6.116  -1.286 -10.755
  134   1HB   LYS  19          1HB       LYS  19   4.521  -2.783  -9.214
  135   2HB   LYS  19          2HB       LYS  19   3.273  -1.752  -9.912
  136   1HG   LYS  19          1HG       LYS  19   3.465  -3.650 -11.363
  137   2HG   LYS  19          2HG       LYS  19   4.256  -2.309 -12.193
  138   1HD   LYS  19          1HD       LYS  19   6.368  -3.264 -10.818
  139   2HD   LYS  19          2HD       LYS  19   5.444  -4.758 -10.991
  140   1HE   LYS  19          1HE       LYS  19   5.527  -4.678 -13.354
  141   2HE   LYS  19          2HE       LYS  19   5.946  -2.954 -13.367
  142   1HZ   LYS  19          1HZ       LYS  19   7.635  -5.125 -12.239
  143   2HZ   LYS  19          3HZ       LYS  19   7.908  -4.349 -13.721
  144   3HZ   LYS  19          2HZ       LYS  19   8.028  -3.473 -12.270
  145    H    LYS  20           H        LYS  20   5.175  -0.164 -12.612
  146    HA   LYS  20           HA       LYS  20   4.302   1.754 -13.694
  147   1HB   LYS  20          1HB       LYS  20   2.335   1.175 -11.457
  148   2HB   LYS  20          2HB       LYS  20   2.040   2.435 -12.658
  149   1HG   LYS  20          1HG       LYS  20   2.724  -0.395 -13.465
  150   2HG   LYS  20          2HG       LYS  20   1.062   0.105 -13.153
  151   1HD   LYS  20          1HD       LYS  20   1.180   1.800 -14.877
  152   2HD   LYS  20          2HD       LYS  20   2.905   1.507 -15.109
  153   1HE   LYS  20          1HE       LYS  20   2.500  -0.684 -16.020
  154   2HE   LYS  20          2HE       LYS  20   0.791  -0.630 -15.543
  155   1HZ   LYS  20          1HZ       LYS  20   0.555   1.375 -16.939
  156   2HZ   LYS  20          3HZ       LYS  20   2.147   1.166 -17.485
  157   3HZ   LYS  20          2HZ       LYS  20   0.967  -0.004 -17.842
  158    H    CYS  21           H        CYS  21   6.445   2.325 -11.902
  159    HA   CYS  21           HA       CYS  21   5.870   5.131 -11.203
  160   1HB   CYS  21          1HB       CYS  21   4.852   3.920  -9.361
  161   2HB   CYS  21          2HB       CYS  21   6.284   2.925  -9.165
  162    H    LYS  22           H        LYS  22   7.871   6.306 -10.705
  163    HA   LYS  22           HA       LYS  22  10.356   4.791 -11.435
  164   1HB   LYS  22          1HB       LYS  22   9.497   7.696 -11.495
  165   2HB   LYS  22          2HB       LYS  22  11.191   7.239 -11.667
  166   1HG   LYS  22          1HG       LYS  22  10.633   7.156 -13.888
  167   2HG   LYS  22          2HG       LYS  22  10.093   5.536 -13.450
  168   1HD   LYS  22          1HD       LYS  22   8.204   6.388 -14.531
  169   2HD   LYS  22          2HD       LYS  22   7.844   6.746 -12.841
  170   1HE   LYS  22          1HE       LYS  22   7.465   8.852 -13.730
  171   2HE   LYS  22          2HE       LYS  22   9.217   8.991 -13.482
  172   1HZ   LYS  22          3HZ       LYS  22   9.516   8.026 -15.722
  173   2HZ   LYS  22          2HZ       LYS  22   7.834   8.101 -15.957
  174   3HZ   LYS  22          1HZ       LYS  22   8.732   9.529 -15.755
  175    H    GLU  23           H        GLU  23   9.428   4.278  -8.841
  176    HA   GLU  23           HA       GLU  23  11.480   5.660  -7.185
  177   1HB   GLU  23          1HB       GLU  23   8.928   6.521  -7.227
  178   2HB   GLU  23          2HB       GLU  23   8.766   5.241  -6.030
  179   1HG   GLU  23          1HG       GLU  23  10.059   6.334  -4.485
  180   2HG   GLU  23          2HG       GLU  23  11.113   7.033  -5.714
  181    H    LYS  24           H        LYS  24  11.153   4.479  -4.780
  182    HA   LYS  24           HA       LYS  24  10.751   1.538  -5.190
  183   1HB   LYS  24          1HB       LYS  24  13.245   3.068  -4.517
  184   2HB   LYS  24          2HB       LYS  24  13.012   1.475  -3.797
  185   1HG   LYS  24          1HG       LYS  24  13.008   0.392  -5.875
  186   2HG   LYS  24          2HG       LYS  24  12.605   1.869  -6.752
  187   1HD   LYS  24          1HD       LYS  24  14.934   2.677  -5.744
  188   2HD   LYS  24          2HD       LYS  24  15.251   0.942  -5.713
  189   1HE   LYS  24          1HE       LYS  24  15.229   0.759  -8.022
  190   2HE   LYS  24          2HE       LYS  24  14.081   2.099  -8.218
  191   1HZ   LYS  24          2HZ       LYS  24  15.811   3.624  -7.448
  192   2HZ   LYS  24          1HZ       LYS  24  16.914   2.336  -7.346
  193   3HZ   LYS  24          3HZ       LYS  24  16.297   2.805  -8.855
  194    H    ILE  25           H        ILE  25  10.450   0.403  -3.120
  195    HA   ILE  25           HA       ILE  25   9.584   2.251  -0.922
  196    HB   ILE  25           HB       ILE  25   8.787  -0.622  -1.521
  197   1HG1  ILE  25          1HG1      ILE  25   7.054   1.812  -1.966
  198   2HG1  ILE  25          2HG1      ILE  25   8.125   1.229  -3.239
  199   1HG2  ILE  25          3HG2      ILE  25   8.546   0.773   0.829
  200   2HG2  ILE  25          2HG2      ILE  25   7.017   1.150   0.036
  201   3HG2  ILE  25          1HG2      ILE  25   7.469  -0.529   0.326
  202   1HD1  ILE  25          1HD1      ILE  25   6.206  -0.621  -1.827
  203   2HD1  ILE  25          3HD1      ILE  25   5.713   0.322  -3.232
  204   3HD1  ILE  25          2HD1      ILE  25   7.014  -0.858  -3.375
  205    H    VAL  26           H        VAL  26  11.182   2.319   0.691
  206    HA   VAL  26           HA       VAL  26  12.416  -0.295   1.488
  207    HB   VAL  26           HB       VAL  26  13.781   2.399   1.143
  208   1HG1  VAL  26          3HG1      VAL  26  14.597  -0.208   2.336
  209   2HG1  VAL  26          2HG1      VAL  26  15.791   0.622   1.338
  210   3HG1  VAL  26          1HG1      VAL  26  15.109   1.428   2.751
  211   1HG2  VAL  26          2HG2      VAL  26  13.457   0.002  -0.597
  212   2HG2  VAL  26          1HG2      VAL  26  13.663   1.695  -1.045
  213   3HG2  VAL  26          3HG2      VAL  26  15.060   0.735  -0.554
  214    H    LYS  27           H        LYS  27  10.970  -0.347   3.356
  215    HA   LYS  27           HA       LYS  27  10.423   0.068   5.604
  216   1HB   LYS  27          1HB       LYS  27  13.129   0.310   5.328
  217   2HB   LYS  27          2HB       LYS  27  12.725   1.893   5.992
  218   1HG   LYS  27          1HG       LYS  27  11.437  -0.462   7.278
  219   2HG   LYS  27          2HG       LYS  27  13.166  -0.252   7.557
  220   1HD   LYS  27          1HD       LYS  27  12.371   2.284   7.957
  221   2HD   LYS  27          2HD       LYS  27  10.886   1.456   8.424
  222   1HE   LYS  27          1HE       LYS  27  13.618   0.707   9.520
  223   2HE   LYS  27          2HE       LYS  27  12.491   1.802  10.346
  224   1HZ   LYS  27          3HZ       LYS  27  10.785   0.078  10.198
  225   2HZ   LYS  27          2HZ       LYS  27  11.901  -0.979   9.473
  226   3HZ   LYS  27          1HZ       LYS  27  12.129  -0.466  11.078
  227    H    GLY  28           H        GLY  28   8.965   1.526   6.548
  228   1HA   GLY  28          2HA       GLY  28   9.248   4.406   5.868
  229   2HA   GLY  28          1HA       GLY  28   8.282   3.758   7.189
  230    H    VAL  29           H        VAL  29   8.001   2.256   3.984
  231    HA   VAL  29           HA       VAL  29   5.407   3.708   3.602
  232    HB   VAL  29           HB       VAL  29   7.244   2.311   1.628
  233   1HG1  VAL  29          1HG1      VAL  29   4.528   2.820   1.379
  234   2HG1  VAL  29          3HG1      VAL  29   5.263   4.221   0.600
  235   3HG1  VAL  29          2HG1      VAL  29   5.653   2.594   0.044
  236   1HG2  VAL  29          3HG2      VAL  29   6.781   5.245   2.240
  237   2HG2  VAL  29          2HG2      VAL  29   8.288   4.347   2.423
  238   3HG2  VAL  29          1HG2      VAL  29   7.641   4.663   0.812
  239    H    CYS  30           H        CYS  30   3.517   2.445   3.478
  240    HA   CYS  30           HA       CYS  30   3.718  -0.413   4.162
  241   1HB   CYS  30          1HB       CYS  30   1.897   1.095   4.977
  242   2HB   CYS  30          2HB       CYS  30   1.331   1.277   3.316
  243    HG   CYS  30           HG       CYS  30  -0.014  -0.682   4.479
  244    H    ARG  31           H        ARG  31   3.477  -2.172   2.698
  245    HA   ARG  31           HA       ARG  31   3.376  -1.408  -0.202
  246   1HB   ARG  31          1HB       ARG  31   4.408  -3.877   1.233
  247   2HB   ARG  31          2HB       ARG  31   4.510  -3.601  -0.506
  248   1HG   ARG  31          1HG       ARG  31   5.648  -1.330   0.269
  249   2HG   ARG  31          2HG       ARG  31   6.012  -2.276   1.714
  250   1HD   ARG  31          1HD       ARG  31   6.689  -3.124  -1.129
  251   2HD   ARG  31          2HD       ARG  31   7.845  -2.469   0.047
  252    HE   ARG  31           HE       ARG  31   6.356  -5.040   0.413
  253   1HH1  ARG  31          1HH1      ARG  31   9.412  -3.842   0.057
  254   2HH1  ARG  31          2HH1      ARG  31  10.064  -4.510   1.517
  255   1HH2  ARG  31          1HH2      ARG  31   6.978  -5.491   2.760
  256   2HH2  ARG  31          2HH2      ARG  31   8.686  -5.445   3.045
  257    H    ILE  32           H        ILE  32   1.719  -2.242  -1.519
  258    HA   ILE  32           HA       ILE  32  -0.252  -4.050  -0.169
  259    HB   ILE  32           HB       ILE  32  -0.821  -2.507  -2.702
  260   1HG1  ILE  32          1HG1      ILE  32  -1.100  -1.337   0.098
  261   2HG1  ILE  32          2HG1      ILE  32   0.146  -0.852  -1.050
  262   1HG2  ILE  32          1HG2      ILE  32  -2.290  -4.268  -1.335
  263   2HG2  ILE  32          3HG2      ILE  32  -2.713  -2.821  -0.421
  264   3HG2  ILE  32          2HG2      ILE  32  -3.017  -2.888  -2.156
  265   1HD1  ILE  32          2HD1      ILE  32  -2.619  -0.816  -2.108
  266   2HD1  ILE  32          1HD1      ILE  32  -2.276   0.379  -0.854
  267   3HD1  ILE  32          3HD1      ILE  32  -1.311   0.347  -2.332
  268    H    GLY  33           H        GLY  33  -0.282  -6.162  -0.957
  269   1HA   GLY  33          2HA       GLY  33   0.815  -7.872  -2.296
  270   2HA   GLY  33          1HA       GLY  33   1.091  -6.666  -3.551
  271    H    LYS  34           H        LYS  34  -0.194  -7.043  -5.324
  272    HA   LYS  34           HA       LYS  34  -3.054  -7.811  -4.850
  273   1HB   LYS  34          1HB       LYS  34  -2.531  -5.735  -6.124
  274   2HB   LYS  34          2HB       LYS  34  -1.628  -6.694  -7.293
  275   1HG   LYS  34          1HG       LYS  34  -3.657  -7.961  -7.853
  276   2HG   LYS  34          2HG       LYS  34  -4.572  -7.044  -6.657
  277   1HD   LYS  34          1HD       LYS  34  -5.069  -5.671  -8.402
  278   2HD   LYS  34          2HD       LYS  34  -3.450  -5.024  -8.137
  279   1HE   LYS  34          1HE       LYS  34  -4.118  -7.306 -10.036
  280   2HE   LYS  34          2HE       LYS  34  -3.777  -5.633 -10.521
  281   1HZ   LYS  34          2HZ       LYS  34  -1.663  -5.833  -9.231
  282   2HZ   LYS  34          1HZ       LYS  34  -1.968  -7.499  -9.087
  283   3HZ   LYS  34          3HZ       LYS  34  -1.731  -6.810 -10.619
  284    H    VAL  35           H        VAL  35  -3.318 -10.067  -5.010
  285    HA   VAL  35           HA       VAL  35  -1.506 -11.569  -6.853
  286    HB   VAL  35           HB       VAL  35  -3.547 -12.509  -4.802
  287   1HG1  VAL  35          1HG1      VAL  35  -2.591 -13.988  -6.840
  288   2HG1  VAL  35          3HG1      VAL  35  -1.259 -14.191  -5.704
  289   3HG1  VAL  35          2HG1      VAL  35  -2.891 -14.669  -5.241
  290   1HG2  VAL  35          3HG2      VAL  35  -0.559 -12.031  -4.667
  291   2HG2  VAL  35          2HG2      VAL  35  -1.812 -11.347  -3.631
  292   3HG2  VAL  35          1HG2      VAL  35  -1.406 -13.059  -3.511
  293    H    VAL  36           H        VAL  36  -2.324 -11.531  -8.968
  294    HA   VAL  36           HA       VAL  36  -5.219 -12.247  -9.290
  295    HB   VAL  36           HB       VAL  36  -4.741  -9.884  -9.822
  296   1HG1  VAL  36          2HG1      VAL  36  -2.680 -11.098 -11.677
  297   2HG1  VAL  36          1HG1      VAL  36  -3.276  -9.451 -11.863
  298   3HG1  VAL  36          3HG1      VAL  36  -2.418  -9.915 -10.396
  299   1HG2  VAL  36          3HG2      VAL  36  -5.280 -11.692 -12.191
  300   2HG2  VAL  36          2HG2      VAL  36  -6.467 -10.913 -11.146
  301   3HG2  VAL  36          1HG2      VAL  36  -5.486  -9.941 -12.241
  302    HA   PRO  37           HA       PRO  37  -3.528 -15.606 -11.646
  303   1HB   PRO  37          1HB       PRO  37  -5.766 -16.374 -13.018
  304   2HB   PRO  37          2HB       PRO  37  -5.527 -16.721 -11.293
  305   1HG   PRO  37          1HG       PRO  37  -7.178 -14.618 -12.590
  306   2HG   PRO  37          2HG       PRO  37  -7.500 -15.572 -11.134
  307   1HD   PRO  37          1HD       PRO  37  -6.622 -12.978 -11.107
  308   2HD   PRO  37          2HD       PRO  37  -6.352 -14.134  -9.787
  309    H    ASN  38           H        ASN  38  -2.807 -16.024 -13.842
  310    HA   ASN  38           HA       ASN  38  -3.167 -13.687 -15.681
  311   1HB   ASN  38          1HB       ASN  38  -1.055 -15.699 -15.087
  312   2HB   ASN  38          2HB       ASN  38  -1.170 -15.164 -16.763
  313   1HD2  ASN  38          2HD2      ASN  38  -0.393 -14.093 -13.460
  314   2HD2  ASN  38          1HD2      ASN  38   0.198 -12.569 -13.917
  315    HA   PRO  39           HA       PRO  39  -5.450 -16.096 -18.571
  316   1HB   PRO  39          1HB       PRO  39  -4.438 -15.320 -20.993
  317   2HB   PRO  39          2HB       PRO  39  -5.485 -14.281 -20.005
  318   1HG   PRO  39          1HG       PRO  39  -2.524 -14.237 -20.314
  319   2HG   PRO  39          2HG       PRO  39  -3.666 -12.891 -20.187
  320   1HD   PRO  39          1HD       PRO  39  -2.126 -13.743 -18.111
  321   2HD   PRO  39          2HD       PRO  39  -3.714 -12.973 -17.898
  322    H    PHE  40           H        PHE  40  -1.904 -16.106 -19.226
  323    HA   PHE  40           HA       PHE  40  -2.095 -19.054 -19.679
  324   1HB   PHE  40          1HB       PHE  40  -2.127 -17.530 -21.794
  325   2HB   PHE  40          2HB       PHE  40  -0.424 -17.253 -21.429
  326    HD1  PHE  40           HD1      PHE  40  -2.722 -20.226 -21.325
  327    HD2  PHE  40           HD2      PHE  40   1.002 -18.582 -22.696
  328    HE1  PHE  40           HE1      PHE  40  -2.143 -22.403 -22.360
  329    HE2  PHE  40           HE2      PHE  40   1.582 -20.760 -23.731
  330    HZ   PHE  40           HZ       PHE  40   0.009 -22.670 -23.563
  331    H    SER  41           H        SER  41  -0.773 -19.815 -17.998
  332    HA   SER  41           HA       SER  41   1.913 -18.510 -17.694
  333   1HB   SER  41          1HB       SER  41   0.292 -19.745 -15.461
  334   2HB   SER  41          2HB       SER  41   1.653 -18.635 -15.331
  335    HG   SER  41           HG       SER  41   0.369 -17.001 -16.118
  336    H    GLU  42           H        GLU  42   3.630 -19.991 -17.772
  337    HA   GLU  42           HA       GLU  42   2.901 -22.893 -17.911
  338   1HB   GLU  42          1HB       GLU  42   4.261 -21.428 -19.661
  339   2HB   GLU  42          2HB       GLU  42   5.607 -21.783 -18.578
  340   1HG   GLU  42          1HG       GLU  42   5.753 -23.635 -19.942
  341   2HG   GLU  42          2HG       GLU  42   4.600 -24.255 -18.761
  342    H    SER  43           H        SER  43   5.367 -20.725 -16.393
  343    HA   SER  43           HA       SER  43   6.236 -22.940 -14.615
  344   1HB   SER  43          1HB       SER  43   8.043 -21.514 -14.091
  345   2HB   SER  43          2HB       SER  43   7.677 -21.085 -15.759
  346    HG   SER  43           HG       SER  43   7.880 -19.258 -14.352
  347    H    GLY  44           H        GLY  44   4.522 -19.787 -14.309
  348   1HA   GLY  44          2HA       GLY  44   4.070 -18.947 -11.968
  349   2HA   GLY  44          1HA       GLY  44   3.775 -20.630 -11.532
  350    H    GLY  45           H        GLY  45   1.784 -18.648 -11.104
  351   1HA   GLY  45          2HA       GLY  45  -0.608 -19.569 -11.721
  352   2HA   GLY  45          1HA       GLY  45  -0.149 -19.030 -13.337
  353    H    ASP  46           H        ASP  46  -0.022 -17.677  -9.975
  354    HA   ASP  46           HA       ASP  46  -1.323 -15.198 -11.060
  355   1HB   ASP  46          1HB       ASP  46  -1.124 -16.380  -8.267
  356   2HB   ASP  46          2HB       ASP  46  -1.953 -14.873  -8.657
  357    H    MET  47           H        MET  47  -0.334 -13.139 -10.604
  358    HA   MET  47           HA       MET  47   2.465 -13.313  -9.527
  359   1HB   MET  47          1HB       MET  47   1.137 -11.555 -11.609
  360   2HB   MET  47          2HB       MET  47   2.770 -11.270 -11.006
  361   1HG   MET  47          1HG       MET  47   3.366 -13.610 -11.690
  362   2HG   MET  47          2HG       MET  47   1.773 -13.750 -12.433
  363   1HE   MET  47          3HE       MET  47   3.904 -14.501 -13.960
  364   2HE   MET  47          2HE       MET  47   2.612 -14.073 -15.077
  365   3HE   MET  47          1HE       MET  47   4.252 -13.502 -15.378
  366    H    LYS  48           H        LYS  48   3.098 -11.754  -7.946
  367    HA   LYS  48           HA       LYS  48   0.919  -9.930  -6.970
  368   1HB   LYS  48          1HB       LYS  48   1.379 -11.909  -5.535
  369   2HB   LYS  48          2HB       LYS  48   3.069 -11.421  -5.427
  370   1HG   LYS  48          1HG       LYS  48   2.055  -9.133  -4.605
  371   2HG   LYS  48          2HG       LYS  48   0.645 -10.121  -4.225
  372   1HD   LYS  48          1HD       LYS  48   3.275 -11.205  -3.364
  373   2HD   LYS  48          2HD       LYS  48   2.698  -9.780  -2.499
  374   1HE   LYS  48          1HE       LYS  48   0.513 -10.965  -2.112
  375   2HE   LYS  48          2HE       LYS  48   1.231 -12.420  -2.830
  376   1HZ   LYS  48          3HZ       LYS  48   2.357 -10.898  -0.537
  377   2HZ   LYS  48          2HZ       LYS  48   1.533 -12.380  -0.418
  378   3HZ   LYS  48          1HZ       LYS  48   3.027 -12.297  -1.226
  379    H    GLU  49           H        GLU  49   1.536  -7.745  -6.943
  380    HA   GLU  49           HA       GLU  49   4.481  -7.150  -7.005
  381   1HB   GLU  49          1HB       GLU  49   2.131  -6.161  -8.595
  382   2HB   GLU  49          2HB       GLU  49   3.509  -5.089  -8.346
  383   1HG   GLU  49          1HG       GLU  49   4.130  -6.176 -10.313
  384   2HG   GLU  49          2HG       GLU  49   4.910  -7.187  -9.096
  385    H    TRP  50           H        TRP  50   5.044  -5.008  -6.009
  386    HA   TRP  50           HA       TRP  50   3.118  -4.300  -3.822
  387   1HB   TRP  50          1HB       TRP  50   6.101  -3.885  -4.206
  388   2HB   TRP  50          2HB       TRP  50   5.200  -3.278  -2.819
  389    HD1  TRP  50           HD1      TRP  50   7.212  -6.108  -3.777
  390    HE1  TRP  50           HE1      TRP  50   6.742  -8.166  -2.301
  391    HE3  TRP  50           HE3      TRP  50   2.834  -4.643  -1.587
  392    HZ2  TRP  50           HZ2      TRP  50   4.768  -9.074  -0.438
  393    HZ3  TRP  50           HZ3      TRP  50   1.685  -6.121   0.036
  394    HH2  TRP  50           HH2      TRP  50   2.644  -8.333   0.612
  395    H    TYR  51           H        TYR  51   2.185  -2.236  -3.800
  396    HA   TYR  51           HA       TYR  51   3.160  -0.292  -5.867
  397   1HB   TYR  51          1HB       TYR  51   0.432  -0.803  -4.647
  398   2HB   TYR  51          2HB       TYR  51   0.782   0.520  -5.759
  399    HD1  TYR  51           HD1      TYR  51   1.388   0.070  -8.113
  400    HD2  TYR  51           HD2      TYR  51   0.299  -3.084  -5.402
  401    HE1  TYR  51           HE1      TYR  51   1.040  -1.465 -10.030
  402    HE2  TYR  51           HE2      TYR  51  -0.043  -4.618  -7.315
  403    HH   TYR  51           HH       TYR  51  -0.545  -3.761 -10.287
  404    H    HIS  52           H        HIS  52   2.515   2.057  -5.210
  405    HA   HIS  52           HA       HIS  52   3.457   2.537  -2.412
  406   1HB   HIS  52          1HB       HIS  52   3.390   3.956  -5.005
  407   2HB   HIS  52          2HB       HIS  52   3.086   4.993  -3.617
  408    HD2  HIS  52           HD2      HIS  52   5.256   3.775  -1.491
  409    HE1  HIS  52           HE1      HIS  52   8.138   4.145  -4.566
  410    HE2  HIS  52           HE2      HIS  52   7.773   3.856  -2.097
  411    H    ILE  53           H        ILE  53   2.147   4.850  -1.674
  412    HA   ILE  53           HA       ILE  53  -0.642   3.895  -1.334
  413    HB   ILE  53           HB       ILE  53   0.797   6.372  -0.309
  414   1HG1  ILE  53          1HG1      ILE  53   1.804   4.258   0.489
  415   2HG1  ILE  53          2HG1      ILE  53   0.982   5.097   1.802
  416   1HG2  ILE  53          2HG2      ILE  53  -1.983   5.660  -0.296
  417   2HG2  ILE  53          1HG2      ILE  53  -1.378   5.523   1.357
  418   3HG2  ILE  53          3HG2      ILE  53  -1.203   7.041   0.479
  419   1HD1  ILE  53          3HD1      ILE  53  -1.020   3.504   0.704
  420   2HD1  ILE  53          2HD1      ILE  53   0.412   2.476   0.632
  421   3HD1  ILE  53          1HD1      ILE  53  -0.112   3.150   2.175
  422    H    LYS  54           H        LYS  54   1.042   6.742  -2.764
  423    HA   LYS  54           HA       LYS  54  -1.514   7.720  -3.882
  424   1HB   LYS  54          1HB       LYS  54  -0.159   9.597  -4.673
  425   2HB   LYS  54          2HB       LYS  54   0.266   9.239  -3.002
  426   1HG   LYS  54          1HG       LYS  54   1.981   7.614  -4.510
  427   2HG   LYS  54          2HG       LYS  54   1.932   9.135  -5.399
  428   1HD   LYS  54          1HD       LYS  54   2.606  10.383  -3.448
  429   2HD   LYS  54          2HD       LYS  54   2.430   8.965  -2.416
  430   1HE   LYS  54          1HE       LYS  54   4.695   8.766  -2.780
  431   2HE   LYS  54          2HE       LYS  54   4.174   8.009  -4.299
  432   1HZ   LYS  54          1HZ       LYS  54   4.525  10.937  -3.964
  433   2HZ   LYS  54          3HZ       LYS  54   5.736   9.923  -4.583
  434   3HZ   LYS  54          2HZ       LYS  54   4.262  10.087  -5.412
  435    H    CYS  55           H        CYS  55   1.139   5.678  -5.007
  436    HA   CYS  55           HA       CYS  55   0.580   6.130  -7.852
  437   1HB   CYS  55          1HB       CYS  55   2.048   3.848  -6.482
  438   2HB   CYS  55          2HB       CYS  55   2.164   4.280  -8.184
  439    H    MET  56           H        MET  56  -0.257   3.609  -5.450
  440    HA   MET  56           HA       MET  56  -1.758   2.026  -7.407
  441   1HB   MET  56          1HB       MET  56  -0.694   1.559  -4.915
  442   2HB   MET  56          2HB       MET  56  -2.407   1.726  -4.531
  443   1HG   MET  56          1HG       MET  56  -1.469  -0.027  -6.802
  444   2HG   MET  56          2HG       MET  56  -1.565  -0.634  -5.149
  445   1HE   MET  56          2HE       MET  56  -2.975   0.621  -8.177
  446   2HE   MET  56          1HE       MET  56  -3.700  -0.981  -8.294
  447   3HE   MET  56          3HE       MET  56  -4.728   0.451  -8.138
  448    H    PHE  57           H        PHE  57  -2.613   4.481  -4.938
  449    HA   PHE  57           HA       PHE  57  -5.483   4.185  -5.386
  450   1HB   PHE  57          1HB       PHE  57  -3.673   6.063  -3.926
  451   2HB   PHE  57          2HB       PHE  57  -5.293   6.641  -4.308
  452    HD1  PHE  57           HD1      PHE  57  -3.362   4.058  -2.478
  453    HD2  PHE  57           HD2      PHE  57  -7.262   5.650  -3.307
  454    HE1  PHE  57           HE1      PHE  57  -4.300   2.704  -0.634
  455    HE2  PHE  57           HE2      PHE  57  -8.204   4.299  -1.463
  456    HZ   PHE  57           HZ       PHE  57  -6.725   2.824  -0.123
  457    H    GLU  58           H        GLU  58  -2.904   6.118  -6.923
  458    HA   GLU  58           HA       GLU  58  -4.604   7.972  -8.323
  459   1HB   GLU  58          1HB       GLU  58  -2.135   8.173  -8.172
  460   2HB   GLU  58          2HB       GLU  58  -1.958   6.729  -9.167
  461   1HG   GLU  58          1HG       GLU  58  -2.588   7.815 -11.101
  462   2HG   GLU  58          2HG       GLU  58  -3.647   8.940 -10.248
  463    H    LYS  59           H        LYS  59  -3.609   4.612  -9.086
  464    HA   LYS  59           HA       LYS  59  -4.642   4.492 -11.760
  465   1HB   LYS  59          1HB       LYS  59  -4.102   2.535  -9.553
  466   2HB   LYS  59          2HB       LYS  59  -5.031   1.974 -10.945
  467   1HG   LYS  59          1HG       LYS  59  -2.552   3.539 -11.496
  468   2HG   LYS  59          2HG       LYS  59  -2.355   1.885 -10.914
  469   1HD   LYS  59          1HD       LYS  59  -4.200   2.577 -13.208
  470   2HD   LYS  59          2HD       LYS  59  -2.500   2.173 -13.454
  471   1HE   LYS  59          1HE       LYS  59  -2.900   0.014 -12.207
  472   2HE   LYS  59          2HE       LYS  59  -4.632   0.405 -12.209
  473   1HZ   LYS  59          3HZ       LYS  59  -2.935   0.354 -14.647
  474   2HZ   LYS  59          2HZ       LYS  59  -3.920  -0.940 -14.155
  475   3HZ   LYS  59          1HZ       LYS  59  -4.619   0.549 -14.580
  476    H    LEU  60           H        LEU  60  -6.290   3.998  -8.615
  477    HA   LEU  60           HA       LEU  60  -8.835   3.144  -9.637
  478   1HB   LEU  60          1HB       LEU  60  -7.820   4.484  -7.152
  479   2HB   LEU  60          2HB       LEU  60  -9.563   4.490  -7.425
  480    HG   LEU  60           HG       LEU  60  -9.470   2.010  -7.753
  481   1HD1  LEU  60          3HD1      LEU  60  -6.606   2.401  -6.830
  482   2HD1  LEU  60          2HD1      LEU  60  -7.412   0.842  -6.999
  483   3HD1  LEU  60          1HD1      LEU  60  -7.113   1.840  -8.422
  484   1HD2  LEU  60          1HD2      LEU  60  -8.700   3.386  -5.208
  485   2HD2  LEU  60          3HD2      LEU  60 -10.172   2.496  -5.598
  486   3HD2  LEU  60          2HD2      LEU  60  -8.684   1.623  -5.235
  487    H    GLU  61           H        GLU  61  -7.550   6.454  -9.046
  488    HA   GLU  61           HA       GLU  61  -9.907   7.912  -9.769
  489   1HB   GLU  61          1HB       GLU  61  -7.702   8.771  -8.776
  490   2HB   GLU  61          2HB       GLU  61  -7.062   8.735 -10.419
  491   1HG   GLU  61          1HG       GLU  61  -9.196  10.114 -11.021
  492   2HG   GLU  61          2HG       GLU  61  -9.262  10.452  -9.290
  493    H    ARG  62           H        ARG  62  -7.393   6.400 -11.809
  494    HA   ARG  62           HA       ARG  62  -8.824   7.373 -14.252
  495   1HB   ARG  62          1HB       ARG  62  -6.062   6.347 -13.610
  496   2HB   ARG  62          2HB       ARG  62  -6.643   6.337 -15.276
  497   1HG   ARG  62          1HG       ARG  62  -7.018   8.852 -13.715
  498   2HG   ARG  62          2HG       ARG  62  -5.380   8.460 -14.238
  499   1HD   ARG  62          1HD       ARG  62  -6.805   7.939 -16.529
  500   2HD   ARG  62          2HD       ARG  62  -7.698   9.317 -15.852
  501    HE   ARG  62           HE       ARG  62  -5.735  10.658 -16.068
  502   1HH1  ARG  62          1HH1      ARG  62  -3.341  10.164 -15.462
  503   2HH1  ARG  62          2HH1      ARG  62  -2.553   9.170 -16.642
  504   1HH2  ARG  62          1HH2      ARG  62  -5.509   8.142 -18.137
  505   2HH2  ARG  62          2HH2      ARG  62  -3.781   8.025 -18.156
  506    H    ALA  63           H        ALA  63  -9.810   5.065 -12.476
  507    HA   ALA  63           HA       ALA  63  -9.504   2.821 -14.444
  508   1HB   ALA  63          1HB       ALA  63  -8.815   2.678 -11.941
  509   2HB   ALA  63          2HB       ALA  63  -9.802   1.370 -12.593
  510   3HB   ALA  63          3HB       ALA  63 -10.548   2.634 -11.615
  511    H    ARG  64           H        ARG  64 -11.578   1.442 -14.642
  512    HA   ARG  64           HA       ARG  64 -13.830   3.165 -15.326
  513   1HB   ARG  64          1HB       ARG  64 -13.239   0.221 -15.313
  514   2HB   ARG  64          2HB       ARG  64 -14.918   0.735 -15.476
  515   1HG   ARG  64          1HG       ARG  64 -14.391   2.062 -17.429
  516   2HG   ARG  64          2HG       ARG  64 -12.664   1.778 -17.212
  517   1HD   ARG  64          1HD       ARG  64 -12.800  -0.441 -17.942
  518   2HD   ARG  64          2HD       ARG  64 -14.520  -0.575 -17.522
  519    HE   ARG  64           HE       ARG  64 -15.075   0.623 -19.528
  520   1HH1  ARG  64          1HH1      ARG  64 -13.456  -0.896 -21.192
  521   2HH1  ARG  64          2HH1      ARG  64 -12.232   0.170 -21.796
  522   1HH2  ARG  64          1HH2      ARG  64 -12.730   2.564 -19.337
  523   2HH2  ARG  64          2HH2      ARG  64 -11.821   2.129 -20.746
  524    H    ALA  65           H        ALA  65 -16.017   3.059 -14.335
  525    HA   ALA  65           HA       ALA  65 -15.864   2.938 -11.386
  526   1HB   ALA  65          2HB       ALA  65 -17.118   4.671 -12.760
  527   2HB   ALA  65          3HB       ALA  65 -18.071   3.916 -11.483
  528   3HB   ALA  65          1HB       ALA  65 -18.282   3.406 -13.159
  529    H    THR  66           H        THR  66 -17.347   0.979 -14.000
  530    HA   THR  66           HA       THR  66 -19.098  -0.661 -12.509
  531    HB   THR  66           HB       THR  66 -18.404  -2.439 -14.245
  532    HG1  THR  66           HG1      THR  66 -16.918  -1.837 -15.720
  533   1HG2  THR  66          3HG2      THR  66 -19.455   0.303 -14.770
  534   2HG2  THR  66          2HG2      THR  66 -19.089  -0.712 -16.166
  535   3HG2  THR  66          1HG2      THR  66 -20.251  -1.260 -14.956
  536    H    THR  67           H        THR  67 -15.520  -0.900 -12.713
  537    HA   THR  67           HA       THR  67 -15.637  -3.169 -10.752
  538    HB   THR  67           HB       THR  67 -13.252  -3.498 -11.589
  539    HG1  THR  67           HG1      THR  67 -12.611  -2.322 -13.314
  540   1HG2  THR  67          3HG2      THR  67 -15.726  -3.739 -13.251
  541   2HG2  THR  67          2HG2      THR  67 -14.174  -4.108 -14.005
  542   3HG2  THR  67          1HG2      THR  67 -14.696  -5.006 -12.580
  543    H    LYS  68           H        LYS  68 -14.998  -2.681  -8.647
  544    HA   LYS  68           HA       LYS  68 -13.379  -0.185  -8.240
  545   1HB   LYS  68          1HB       LYS  68 -15.904  -0.797  -7.367
  546   2HB   LYS  68          2HB       LYS  68 -14.932  -1.345  -6.001
  547   1HG   LYS  68          1HG       LYS  68 -14.358   1.339  -7.214
  548   2HG   LYS  68          2HG       LYS  68 -15.733   1.165  -6.123
  549   1HD   LYS  68          1HD       LYS  68 -14.407   0.746  -4.290
  550   2HD   LYS  68          2HD       LYS  68 -13.148  -0.035  -5.249
  551   1HE   LYS  68          1HE       LYS  68 -12.512   2.210  -6.168
  552   2HE   LYS  68          2HE       LYS  68 -13.689   2.950  -5.065
  553   1HZ   LYS  68          1HZ       LYS  68 -12.580   1.785  -3.221
  554   2HZ   LYS  68          3HZ       LYS  68 -11.398   1.217  -4.298
  555   3HZ   LYS  68          2HZ       LYS  68 -11.543   2.884  -4.001
  556    H    LYS  69           H        LYS  69 -11.529  -0.355  -6.852
  557    HA   LYS  69           HA       LYS  69 -10.916  -3.116  -5.843
  558   1HB   LYS  69          1HB       LYS  69  -9.143  -1.016  -7.132
  559   2HB   LYS  69          2HB       LYS  69  -8.546  -2.522  -6.433
  560   1HG   LYS  69          1HG       LYS  69  -9.385  -3.809  -8.138
  561   2HG   LYS  69          2HG       LYS  69 -10.777  -2.754  -8.389
  562   1HD   LYS  69          1HD       LYS  69  -9.533  -1.215  -9.672
  563   2HD   LYS  69          2HD       LYS  69  -7.990  -1.830  -9.076
  564   1HE   LYS  69          1HE       LYS  69  -8.343  -3.947 -10.296
  565   2HE   LYS  69          2HE       LYS  69  -9.902  -3.345 -10.891
  566   1HZ   LYS  69          2HZ       LYS  69  -7.339  -1.895 -11.260
  567   2HZ   LYS  69          1HZ       LYS  69  -7.989  -2.943 -12.427
  568   3HZ   LYS  69          3HZ       LYS  69  -8.836  -1.544 -11.981
  569    H    ILE  70           H        ILE  70  -9.766  -3.191  -3.791
  570    HA   ILE  70           HA       ILE  70  -9.278  -2.439  -1.612
  571    HB   ILE  70           HB       ILE  70  -8.531   0.027  -3.226
  572   1HG1  ILE  70          1HG1      ILE  70  -6.829  -2.335  -2.361
  573   2HG1  ILE  70          2HG1      ILE  70  -7.481  -2.123  -3.986
  574   1HG2  ILE  70          3HG2      ILE  70  -7.970  -0.869  -0.407
  575   2HG2  ILE  70          2HG2      ILE  70  -6.803   0.139  -1.262
  576   3HG2  ILE  70          1HG2      ILE  70  -8.442   0.727  -0.990
  577   1HD1  ILE  70          2HD1      ILE  70  -5.867   0.074  -2.714
  578   2HD1  ILE  70          1HD1      ILE  70  -5.054  -1.290  -3.482
  579   3HD1  ILE  70          3HD1      ILE  70  -6.130  -0.259  -4.426
  580    H    GLU  71           H        GLU  71 -11.393  -2.318  -0.641
  581    HA   GLU  71           HA       GLU  71 -12.739   0.362  -0.825
  582   1HB   GLU  71          1HB       GLU  71 -13.634  -2.477  -0.774
  583   2HB   GLU  71          2HB       GLU  71 -14.636  -1.330   0.116
  584   1HG   GLU  71          1HG       GLU  71 -13.744  -0.572  -2.636
  585   2HG   GLU  71          2HG       GLU  71 -15.031  -1.768  -2.480
  586    H    ASP  72           H        ASP  72 -12.921   1.509   1.128
  587    HA   ASP  72           HA       ASP  72 -12.609   2.001   3.415
  588   1HB   ASP  72          1HB       ASP  72 -13.651  -0.849   3.535
  589   2HB   ASP  72          2HB       ASP  72 -13.652   0.283   4.888
  590    H    LEU  73           H        LEU  73 -11.645   0.699   5.603
  591    HA   LEU  73           HA       LEU  73  -9.009  -0.412   4.688
  592   1HB   LEU  73          1HB       LEU  73  -8.998   1.851   5.729
  593   2HB   LEU  73          2HB       LEU  73  -9.740   1.168   7.175
  594    HG   LEU  73           HG       LEU  73  -7.788  -0.366   7.411
  595   1HD1  LEU  73          1HD1      LEU  73  -7.050   1.011   4.867
  596   2HD1  LEU  73          3HD1      LEU  73  -5.745   0.638   5.993
  597   3HD1  LEU  73          2HD1      LEU  73  -6.764  -0.656   5.365
  598   1HD2  LEU  73          2HD2      LEU  73  -7.312   2.621   7.312
  599   2HD2  LEU  73          1HD2      LEU  73  -7.717   1.637   8.718
  600   3HD2  LEU  73          3HD2      LEU  73  -6.126   1.496   7.972
  601    H    THR  74           H        THR  74  -9.961  -2.641   4.791
  602    HA   THR  74           HA       THR  74  -9.570  -3.884   7.389
  603    HB   THR  74           HB       THR  74 -12.255  -4.598   6.974
  604    HG1  THR  74           HG1      THR  74 -12.740  -2.931   5.676
  605   1HG2  THR  74          2HG2      THR  74 -10.754  -3.873   9.062
  606   2HG2  THR  74          1HG2      THR  74 -11.613  -2.351   8.827
  607   3HG2  THR  74          3HG2      THR  74 -12.516  -3.834   9.130
  608    H    GLU  75           H        GLU  75 -11.460  -4.363   4.335
  609    HA   GLU  75           HA       GLU  75 -11.306  -7.175   4.153
  610   1HB   GLU  75          1HB       GLU  75 -12.413  -5.383   2.613
  611   2HB   GLU  75          2HB       GLU  75 -10.878  -5.409   1.743
  612   1HG   GLU  75          1HG       GLU  75 -11.107  -7.703   1.182
  613   2HG   GLU  75          2HG       GLU  75 -12.385  -7.949   2.373
  614    H    LEU  76           H        LEU  76  -8.701  -4.818   3.474
  615    HA   LEU  76           HA       LEU  76  -6.965  -6.788   2.184
  616   1HB   LEU  76          1HB       LEU  76  -6.284  -4.125   3.487
  617   2HB   LEU  76          2HB       LEU  76  -5.268  -5.010   2.353
  618    HG   LEU  76           HG       LEU  76  -7.950  -3.706   1.789
  619   1HD1  LEU  76          2HD1      LEU  76  -5.621  -2.485   1.775
  620   2HD1  LEU  76          1HD1      LEU  76  -5.407  -3.327   0.239
  621   3HD1  LEU  76          3HD1      LEU  76  -6.758  -2.213   0.456
  622   1HD2  LEU  76          2HD2      LEU  76  -6.420  -5.800   0.275
  623   2HD2  LEU  76          1HD2      LEU  76  -8.163  -5.609   0.457
  624   3HD2  LEU  76          3HD2      LEU  76  -7.269  -4.548  -0.633
  625    H    GLU  77           H        GLU  77  -5.018  -7.749   3.143
  626    HA   GLU  77           HA       GLU  77  -5.368  -8.282   6.066
  627   1HB   GLU  77          1HB       GLU  77  -3.685  -9.609   3.911
  628   2HB   GLU  77          2HB       GLU  77  -3.883 -10.209   5.560
  629   1HG   GLU  77          1HG       GLU  77  -6.162  -9.777   3.610
  630   2HG   GLU  77          2HG       GLU  77  -5.401 -11.338   3.921
  631    H    GLY  78           H        GLY  78  -4.080  -7.087   7.475
  632   1HA   GLY  78          2HA       GLY  78  -1.528  -5.965   6.439
  633   2HA   GLY  78          1HA       GLY  78  -1.477  -6.975   7.878
  634    H    TRP  79           H        TRP  79  -4.026  -4.593   7.027
  635    HA   TRP  79           HA       TRP  79  -3.131  -2.364   8.511
  636   1HB   TRP  79          1HB       TRP  79  -5.538  -1.770   8.689
  637   2HB   TRP  79          2HB       TRP  79  -5.137  -2.367   7.081
  638    HD1  TRP  79           HD1      TRP  79  -6.305  -4.523   6.257
  639    HE1  TRP  79           HE1      TRP  79  -8.102  -6.082   7.249
  640    HE3  TRP  79           HE3      TRP  79  -6.427  -2.783  11.055
  641    HZ2  TRP  79           HZ2      TRP  79  -9.421  -6.529   9.747
  642    HZ3  TRP  79           HZ3      TRP  79  -7.964  -3.790  12.718
  643    HH2  TRP  79           HH2      TRP  79  -9.460  -5.658  12.070
  644    H    GLU  80           H        GLU  80  -4.694  -5.330   9.770
  645    HA   GLU  80           HA       GLU  80  -5.280  -4.479  12.422
  646   1HB   GLU  80          1HB       GLU  80  -5.586  -6.775  11.131
  647   2HB   GLU  80          2HB       GLU  80  -4.063  -7.181  11.922
  648   1HG   GLU  80          1HG       GLU  80  -4.982  -7.052  14.061
  649   2HG   GLU  80          2HG       GLU  80  -6.289  -5.986  13.544
  650    H    GLU  81           H        GLU  81  -2.127  -5.479  11.026
  651    HA   GLU  81           HA       GLU  81  -0.766  -5.353  13.638
  652   1HB   GLU  81          1HB       GLU  81   0.156  -5.633  10.761
  653   2HB   GLU  81          2HB       GLU  81   1.278  -5.610  12.122
  654   1HG   GLU  81          1HG       GLU  81  -1.068  -7.509  12.050
  655   2HG   GLU  81          2HG       GLU  81   0.475  -7.921  11.300
  656    H    LEU  82           H        LEU  82  -1.089  -3.208  10.779
  657    HA   LEU  82           HA       LEU  82   0.846  -1.248  11.304
  658   1HB   LEU  82          1HB       LEU  82  -1.852  -1.313  10.064
  659   2HB   LEU  82          2HB       LEU  82  -1.254   0.287  10.496
  660    HG   LEU  82           HG       LEU  82   0.857  -0.207   9.262
  661   1HD1  LEU  82          2HD1      LEU  82  -0.633  -2.771   8.685
  662   2HD1  LEU  82          1HD1      LEU  82   0.656  -2.191   7.632
  663   3HD1  LEU  82          3HD1      LEU  82   1.002  -2.576   9.318
  664   1HD2  LEU  82          3HD2      LEU  82  -1.295   0.835   8.243
  665   2HD2  LEU  82          2HD2      LEU  82  -0.047   0.268   7.133
  666   3HD2  LEU  82          1HD2      LEU  82  -1.482  -0.716   7.426
  667    H    GLU  83           H        GLU  83   0.341   1.090  12.194
  668    HA   GLU  83           HA       GLU  83  -0.880   0.757  14.910
  669   1HB   GLU  83          1HB       GLU  83   1.152   2.670  13.725
  670   2HB   GLU  83          2HB       GLU  83   0.514   2.835  15.361
  671   1HG   GLU  83          1HG       GLU  83   1.519   0.850  16.094
  672   2HG   GLU  83          2HG       GLU  83   1.676   0.212  14.457
  673    H    ASP  84           H        ASP  84  -2.105   2.699  15.765
  674    HA   ASP  84           HA       ASP  84  -4.258   3.504  14.116
  675   1HB   ASP  84          1HB       ASP  84  -3.737   3.763  16.708
  676   2HB   ASP  84          2HB       ASP  84  -3.220   5.377  16.221
  677    H    ASN  85           H        ASN  85  -1.135   5.190  14.615
  678    HA   ASN  85           HA       ASN  85  -1.801   7.573  13.144
  679   1HB   ASN  85          1HB       ASN  85   0.270   6.949  14.638
  680   2HB   ASN  85          2HB       ASN  85   0.955   6.354  13.125
  681   1HD2  ASN  85          2HD2      ASN  85   1.961   7.927  11.792
  682   2HD2  ASN  85          1HD2      ASN  85   1.748   9.601  11.978
  683    H    GLU  86           H        GLU  86  -0.086   4.610  12.033
  684    HA   GLU  86           HA       GLU  86   0.000   5.394   9.249
  685   1HB   GLU  86          1HB       GLU  86   1.382   3.591  10.281
  686   2HB   GLU  86          2HB       GLU  86  -0.074   2.615  10.478
  687   1HG   GLU  86          1HG       GLU  86   1.067   1.909   8.448
  688   2HG   GLU  86          2HG       GLU  86  -0.425   2.736   7.999
  689    H    LYS  87           H        LYS  87  -2.365   3.497  11.156
  690    HA   LYS  87           HA       LYS  87  -4.095   2.818   8.950
  691   1HB   LYS  87          1HB       LYS  87  -4.069   1.863  11.322
  692   2HB   LYS  87          2HB       LYS  87  -4.925   3.322  11.822
  693   1HG   LYS  87          1HG       LYS  87  -6.611   2.760   9.958
  694   2HG   LYS  87          2HG       LYS  87  -5.859   1.165   9.930
  695   1HD   LYS  87          1HD       LYS  87  -6.228   1.217  12.515
  696   2HD   LYS  87          2HD       LYS  87  -7.403   2.482  12.149
  697   1HE   LYS  87          1HE       LYS  87  -8.792   1.025  10.943
  698   2HE   LYS  87          2HE       LYS  87  -7.473  -0.118  10.622
  699   1HZ   LYS  87          2HZ       LYS  87  -7.346  -0.550  13.016
  700   2HZ   LYS  87          1HZ       LYS  87  -8.678   0.472  13.275
  701   3HZ   LYS  87          3HZ       LYS  87  -8.871  -0.961  12.389
  702    H    GLU  88           H        GLU  88  -4.007   5.655  11.141
  703    HA   GLU  88           HA       GLU  88  -6.440   6.889  10.205
  704   1HB   GLU  88          1HB       GLU  88  -3.924   7.786  11.575
  705   2HB   GLU  88          2HB       GLU  88  -5.007   9.024  10.940
  706   1HG   GLU  88          1HG       GLU  88  -6.839   7.501  12.159
  707   2HG   GLU  88          2HG       GLU  88  -5.449   7.073  13.156
  708    H    GLN  89           H        GLN  89  -3.048   7.126   9.033
  709    HA   GLN  89           HA       GLN  89  -3.564   9.136   7.024
  710   1HB   GLN  89          1HB       GLN  89  -1.309   8.452   7.869
  711   2HB   GLN  89          2HB       GLN  89  -1.493   6.911   7.029
  712   1HG   GLN  89          1HG       GLN  89  -1.822   8.224   4.891
  713   2HG   GLN  89          2HG       GLN  89  -1.359   9.671   5.789
  714   1HE2  GLN  89          1HE2      GLN  89   0.895   9.607   6.840
  715   2HE2  GLN  89          2HE2      GLN  89   2.094   8.674   6.085
  716    H    ILE  90           H        ILE  90  -3.769   5.564   6.936
  717    HA   ILE  90           HA       ILE  90  -4.240   5.354   4.088
  718    HB   ILE  90           HB       ILE  90  -5.098   3.578   6.410
  719   1HG1  ILE  90          1HG1      ILE  90  -2.652   3.874   6.232
  720   2HG1  ILE  90          2HG1      ILE  90  -3.113   2.239   5.770
  721   1HG2  ILE  90          1HG2      ILE  90  -5.172   3.177   3.420
  722   2HG2  ILE  90          3HG2      ILE  90  -5.065   1.807   4.524
  723   3HG2  ILE  90          2HG2      ILE  90  -6.452   2.894   4.597
  724   1HD1  ILE  90          1HD1      ILE  90  -3.260   3.633   3.371
  725   2HD1  ILE  90          3HD1      ILE  90  -1.852   4.339   4.165
  726   3HD1  ILE  90          2HD1      ILE  90  -1.923   2.601   3.879
  727    H    THR  91           H        THR  91  -6.471   5.729   6.890
  728    HA   THR  91           HA       THR  91  -8.914   5.557   5.366
  729    HB   THR  91           HB       THR  91  -9.884   6.766   7.346
  730    HG1  THR  91           HG1      THR  91  -8.512   7.486   8.918
  731   1HG2  THR  91          2HG2      THR  91  -9.179   4.256   7.272
  732   2HG2  THR  91          1HG2      THR  91  -7.884   4.759   8.358
  733   3HG2  THR  91          3HG2      THR  91  -9.568   4.979   8.833
  734    H    GLN  92           H        GLN  92  -6.953   8.401   6.355
  735    HA   GLN  92           HA       GLN  92  -8.616  10.359   5.017
  736   1HB   GLN  92          1HB       GLN  92  -6.548  10.509   6.731
  737   2HB   GLN  92          2HB       GLN  92  -5.652  10.750   5.231
  738   1HG   GLN  92          1HG       GLN  92  -6.237  12.941   5.643
  739   2HG   GLN  92          2HG       GLN  92  -7.676  12.440   4.753
  740   1HE2  GLN  92          1HE2      GLN  92  -9.508  13.286   5.826
  741   2HE2  GLN  92          2HE2      GLN  92  -9.711  13.284   7.511
  742    H    HIS  93           H        HIS  93  -5.761   8.457   3.953
  743    HA   HIS  93           HA       HIS  93  -5.452   9.674   1.365
  744   1HB   HIS  93          1HB       HIS  93  -3.804   8.159   2.446
  745   2HB   HIS  93          2HB       HIS  93  -4.931   6.814   2.277
  746    HD1  HIS  93           HD1      HIS  93  -2.667   9.053   0.273
  747    HD2  HIS  93           HD2      HIS  93  -5.097   5.724  -0.326
  748    HE1  HIS  93           HE1      HIS  93  -2.093   8.146  -2.020
  749    H    ILE  94           H        ILE  94  -7.447   6.855   2.415
  750    HA   ILE  94           HA       ILE  94  -8.513   6.384  -0.263
  751    HB   ILE  94           HB       ILE  94  -9.383   5.559   2.532
  752   1HG1  ILE  94          1HG1      ILE  94  -8.429   3.698   0.397
  753   2HG1  ILE  94          2HG1      ILE  94  -7.235   4.738   1.173
  754   1HG2  ILE  94          2HG2      ILE  94 -11.345   5.614   0.976
  755   2HG2  ILE  94          1HG2      ILE  94 -10.467   4.549  -0.121
  756   3HG2  ILE  94          3HG2      ILE  94 -10.928   3.977   1.482
  757   1HD1  ILE  94          1HD1      ILE  94  -9.172   2.954   2.672
  758   2HD1  ILE  94          3HD1      ILE  94  -7.506   2.513   2.292
  759   3HD1  ILE  94          2HD1      ILE  94  -7.835   3.878   3.360
  760    H    ALA  95           H        ALA  95  -9.615   8.277   2.571
  761    HA   ALA  95           HA       ALA  95 -12.186   9.023   1.511
  762   1HB   ALA  95          1HB       ALA  95 -11.850  11.021   3.097
  763   2HB   ALA  95          3HB       ALA  95 -11.720   9.423   3.833
  764   3HB   ALA  95          2HB       ALA  95 -10.262  10.339   3.450
  765    H    ASP  96           H        ASP  96  -8.929  10.476   1.121
  766    HA   ASP  96           HA       ASP  96  -9.748  12.836  -0.312
  767   1HB   ASP  96          1HB       ASP  96  -7.254  11.174  -0.097
  768   2HB   ASP  96          2HB       ASP  96  -7.328  12.411  -1.351
  769    H    LEU  97           H        LEU  97  -9.109   9.488  -1.436
  770    HA   LEU  97           HA       LEU  97  -9.599  10.259  -4.260
  771   1HB   LEU  97          1HB       LEU  97  -7.873   8.586  -3.599
  772   2HB   LEU  97          2HB       LEU  97  -9.147   7.552  -2.949
  773    HG   LEU  97           HG       LEU  97 -10.152   7.947  -5.412
  774   1HD1  LEU  97          1HD1      LEU  97  -7.157   8.306  -5.633
  775   2HD1  LEU  97          3HD1      LEU  97  -8.137   7.733  -6.984
  776   3HD1  LEU  97          2HD1      LEU  97  -8.427   9.332  -6.299
  777   1HD2  LEU  97          3HD2      LEU  97  -9.147   5.837  -4.038
  778   2HD2  LEU  97          2HD2      LEU  97  -9.668   5.724  -5.720
  779   3HD2  LEU  97          1HD2      LEU  97  -7.960   5.939  -5.338
  780    H    SER  98           H        SER  98 -11.326   8.583  -1.600
  781    HA   SER  98           HA       SER  98 -13.632   8.087  -3.444
  782   1HB   SER  98          1HB       SER  98 -13.155   7.174  -0.587
  783   2HB   SER  98          2HB       SER  98 -14.366   6.550  -1.703
  784    HG   SER  98           HG       SER  98 -12.794   5.609  -2.891
  785    H    SER  99           H        SER  99 -13.449  10.791  -2.992
  786    HA   SER  99           HA       SER  99 -15.602  11.286  -0.962
  787   1HB   SER  99          1HB       SER  99 -13.771  12.179   0.140
  788   2HB   SER  99          2HB       SER  99 -12.896  12.492  -1.357
  789    HG   SER  99           HG       SER  99 -14.993  13.961  -0.161
  790    H    LYS 100           H        LYS 100 -17.388  12.053  -2.108
  791    HA   LYS 100           HA       LYS 100 -16.855  13.781  -4.506
  792   1HB   LYS 100          1HB       LYS 100 -17.966  11.351  -4.532
  793   2HB   LYS 100          2HB       LYS 100 -19.408  12.271  -4.102
  794   1HG   LYS 100          1HG       LYS 100 -19.433  12.233  -6.469
  795   2HG   LYS 100          2HG       LYS 100 -18.775  13.821  -6.069
  796   1HD   LYS 100          1HD       LYS 100 -16.469  12.498  -6.139
  797   2HD   LYS 100          2HD       LYS 100 -17.387  11.424  -7.196
  798   1HE   LYS 100          1HE       LYS 100 -17.481  14.401  -7.658
  799   2HE   LYS 100          2HE       LYS 100 -16.125  13.444  -8.283
  800   1HZ   LYS 100          1HZ       LYS 100 -18.969  12.693  -8.671
  801   2HZ   LYS 100          3HZ       LYS 100 -18.085  13.586  -9.810
  802   3HZ   LYS 100          2HZ       LYS 100 -17.607  12.004  -9.417
  803    H    ALA 101           H        ALA 101 -17.110  15.875  -3.555
  804    HA   ALA 101           HA       ALA 101 -19.837  16.459  -2.488
  805   1HB   ALA 101          1HB       ALA 101 -17.229  16.511  -1.102
  806   2HB   ALA 101          3HB       ALA 101 -18.196  17.970  -0.886
  807   3HB   ALA 101          2HB       ALA 101 -18.855  16.399  -0.428
  808    H    ALA 102           H        ALA 102 -20.571  18.052  -3.919
  809    HA   ALA 102           HA       ALA 102 -18.605  20.171  -4.736
  810   1HB   ALA 102          1HB       ALA 102 -21.022  19.098  -6.228
  811   2HB   ALA 102          2HB       ALA 102 -19.367  18.556  -6.504
  812   3HB   ALA 102          3HB       ALA 102 -19.818  20.225  -6.854
  813    H    GLY 103           H        GLY 103 -19.432  21.284  -2.656
  814   1HA   GLY 103          2HA       GLY 103 -21.766  22.064  -1.731
  815   2HA   GLY 103          1HA       GLY 103 -21.892  22.826  -3.317
  816    H    THR 104           H        THR 104 -21.998  24.905  -2.010
  817    HA   THR 104           HA       THR 104 -19.237  25.807  -1.245
  818    HB   THR 104           HB       THR 104 -21.437  27.633  -2.171
  819    HG1  THR 104           HG1      THR 104 -21.023  27.132  -4.263
  820   1HG2  THR 104          1HG2      THR 104 -18.429  27.574  -2.538
  821   2HG2  THR 104          3HG2      THR 104 -19.499  28.844  -3.133
  822   3HG2  THR 104          2HG2      THR 104 -19.315  28.586  -1.398
  823    HA   PRO 105           HA       PRO 105 -21.789  26.205   2.546
  824   1HB   PRO 105          1HB       PRO 105 -19.709  25.916   4.301
  825   2HB   PRO 105          2HB       PRO 105 -20.563  24.537   3.581
  826   1HG   PRO 105          1HG       PRO 105 -17.944  25.737   2.838
  827   2HG   PRO 105          2HG       PRO 105 -18.435  24.036   2.885
  828   1HD   PRO 105          1HD       PRO 105 -18.263  25.491   0.585
  829   2HD   PRO 105          2HD       PRO 105 -19.365  24.112   0.796
  830    H    LYS 106           H        LYS 106 -20.967  27.679   4.676
  831    HA   LYS 106           HA       LYS 106 -19.954  30.235   3.464
  832   1HB   LYS 106          1HB       LYS 106 -21.905  29.657   5.718
  833   2HB   LYS 106          2HB       LYS 106 -21.375  31.276   5.257
  834   1HG   LYS 106          1HG       LYS 106 -22.129  30.414   2.837
  835   2HG   LYS 106          2HG       LYS 106 -23.185  29.393   3.816
  836   1HD   LYS 106          1HD       LYS 106 -24.029  31.395   4.993
  837   2HD   LYS 106          2HD       LYS 106 -22.985  32.414   4.001
  838   1HE   LYS 106          1HE       LYS 106 -24.228  31.100   2.017
  839   2HE   LYS 106          2HE       LYS 106 -25.501  30.990   3.250
  840   1HZ   LYS 106          2HZ       LYS 106 -25.272  33.368   3.644
  841   2HZ   LYS 106          1HZ       LYS 106 -24.083  33.473   2.434
  842   3HZ   LYS 106          3HZ       LYS 106 -25.678  33.069   2.022
  843    H    LYS 107           H        LYS 107 -20.185  28.585   6.688
  844    HA   LYS 107           HA       LYS 107 -17.511  29.783   7.347
  845   1HB   LYS 107          1HB       LYS 107 -19.930  30.056   8.603
  846   2HB   LYS 107          2HB       LYS 107 -19.245  28.690   9.486
  847   1HG   LYS 107          1HG       LYS 107 -18.264  30.354  10.715
  848   2HG   LYS 107          2HG       LYS 107 -17.078  30.306   9.410
  849   1HD   LYS 107          1HD       LYS 107 -19.522  32.090   9.342
  850   2HD   LYS 107          2HD       LYS 107 -17.965  32.621   9.977
  851   1HE   LYS 107          1HE       LYS 107 -16.929  31.967   7.760
  852   2HE   LYS 107          2HE       LYS 107 -18.574  31.711   7.146
  853   1HZ   LYS 107          2HZ       LYS 107 -17.694  34.207   8.492
  854   2HZ   LYS 107          1HZ       LYS 107 -17.698  34.011   6.805
  855   3HZ   LYS 107          3HZ       LYS 107 -19.155  33.940   7.669
  856    H    LYS 108           H        LYS 108 -16.828  28.148   9.519
  857    HA   LYS 108           HA       LYS 108 -16.630  25.431   8.250
  858   1HB   LYS 108          1HB       LYS 108 -14.716  27.335   9.464
  859   2HB   LYS 108          2HB       LYS 108 -14.502  25.658   9.965
  860   1HG   LYS 108          1HG       LYS 108 -13.162  26.043   7.975
  861   2HG   LYS 108          2HG       LYS 108 -14.513  24.991   7.548
  862   1HD   LYS 108          1HD       LYS 108 -15.726  26.813   6.557
  863   2HD   LYS 108          2HD       LYS 108 -14.588  27.998   7.202
  864   1HE   LYS 108          1HE       LYS 108 -13.971  27.703   4.901
  865   2HE   LYS 108          2HE       LYS 108 -12.787  26.756   5.823
  866   1HZ   LYS 108          2HZ       LYS 108 -14.203  24.806   5.561
  867   2HZ   LYS 108          1HZ       LYS 108 -15.305  25.711   4.636
  868   3HZ   LYS 108          3HZ       LYS 108 -13.741  25.421   4.046
  869    H    ALA 109           H        ALA 109 -16.109  26.881  11.530
  870    HA   ALA 109           HA       ALA 109 -17.709  24.598  12.648
  871   1HB   ALA 109          3HB       ALA 109 -15.167  25.982  13.390
  872   2HB   ALA 109          1HB       ALA 109 -15.578  24.270  13.488
  873   3HB   ALA 109          2HB       ALA 109 -16.182  25.393  14.707
  874    H    VAL 110           H        VAL 110 -19.464  25.162  13.988
  875    HA   VAL 110           HA       VAL 110 -19.694  28.045  14.793
  876    HB   VAL 110           HB       VAL 110 -21.826  26.172  13.702
  877   1HG1  VAL 110          1HG1      VAL 110 -21.900  28.986  14.787
  878   2HG1  VAL 110          3HG1      VAL 110 -23.104  28.428  13.626
  879   3HG1  VAL 110          2HG1      VAL 110 -22.947  27.625  15.188
  880   1HG2  VAL 110          3HG2      VAL 110 -20.458  28.609  12.514
  881   2HG2  VAL 110          2HG2      VAL 110 -20.296  26.944  11.954
  882   3HG2  VAL 110          1HG2      VAL 110 -21.839  27.783  11.792
  883    H    VAL 111           H        VAL 111 -20.519  28.363  16.925
  884    HA   VAL 111           HA       VAL 111 -21.090  25.854  18.476
  885    HB   VAL 111           HB       VAL 111 -19.880  28.506  19.341
  886   1HG1  VAL 111          3HG1      VAL 111 -21.238  26.831  20.954
  887   2HG1  VAL 111          2HG1      VAL 111 -19.670  26.026  20.979
  888   3HG1  VAL 111          1HG1      VAL 111 -19.808  27.706  21.495
  889   1HG2  VAL 111          2HG2      VAL 111 -18.739  25.911  18.400
  890   2HG2  VAL 111          1HG2      VAL 111 -18.114  27.548  18.204
  891   3HG2  VAL 111          3HG2      VAL 111 -17.925  26.711  19.745
  892    H    GLN 112           H        GLN 112 -23.038  25.830  19.683
  893    HA   GLN 112           HA       GLN 112 -24.629  28.376  19.714
  894   1HB   GLN 112          1HB       GLN 112 -25.203  25.615  18.772
  895   2HB   GLN 112          2HB       GLN 112 -26.508  26.422  19.643
  896   1HG   GLN 112          1HG       GLN 112 -25.083  28.008  17.560
  897   2HG   GLN 112          2HG       GLN 112 -26.166  26.733  17.001
  898   1HE2  GLN 112          1HE2      GLN 112 -26.526  29.786  16.925
  899   2HE2  GLN 112          2HE2      GLN 112 -28.005  30.046  17.716
  900    H    ALA 113           H        ALA 113 -25.906  28.706  21.654
  901    HA   ALA 113           HA       ALA 113 -25.246  26.824  23.901
  902   1HB   ALA 113          3HB       ALA 113 -24.370  29.281  23.754
  903   2HB   ALA 113          2HB       ALA 113 -26.022  29.724  24.181
  904   3HB   ALA 113          1HB       ALA 113 -25.064  28.730  25.279
  905    H    LYS 114           H        LYS 114 -27.016  26.014  25.103
  906    HA   LYS 114           HA       LYS 114 -29.730  27.067  24.361
  907   1HB   LYS 114          1HB       LYS 114 -28.652  24.281  24.846
  908   2HB   LYS 114          2HB       LYS 114 -30.382  24.627  24.859
  909   1HG   LYS 114          1HG       LYS 114 -30.338  25.380  22.581
  910   2HG   LYS 114          2HG       LYS 114 -28.574  25.378  22.551
  911   1HD   LYS 114          1HD       LYS 114 -28.439  23.097  22.315
  912   2HD   LYS 114          2HD       LYS 114 -29.907  22.809  23.251
  913   1HE   LYS 114          1HE       LYS 114 -31.256  23.695  21.329
  914   2HE   LYS 114          2HE       LYS 114 -29.757  23.804  20.385
  915   1HZ   LYS 114          1HZ       LYS 114 -29.356  21.438  20.941
  916   2HZ   LYS 114          3HZ       LYS 114 -30.900  21.367  21.640
  917   3HZ   LYS 114          2HZ       LYS 114 -30.735  21.674  19.977
  918    H    LEU 115           H        LEU 115 -30.927  27.802  26.134
  919    HA   LEU 115           HA       LEU 115 -29.989  26.966  28.861
  920   1HB   LEU 115          1HB       LEU 115 -29.623  29.355  28.099
  921   2HB   LEU 115          2HB       LEU 115 -31.378  29.527  28.018
  922    HG   LEU 115           HG       LEU 115 -31.362  28.659  30.464
  923   1HD1  LEU 115          2HD1      LEU 115 -28.473  29.122  29.884
  924   2HD1  LEU 115          1HD1      LEU 115 -29.071  29.635  31.462
  925   3HD1  LEU 115          3HD1      LEU 115 -29.228  27.951  30.965
  926   1HD2  LEU 115          2HD2      LEU 115 -30.458  31.365  29.499
  927   2HD2  LEU 115          1HD2      LEU 115 -32.021  30.894  30.166
  928   3HD2  LEU 115          3HD2      LEU 115 -30.621  31.051  31.227
  929    H    THR 116           H        THR 116 -31.508  25.348  29.444
  930    HA   THR 116           HA       THR 116 -34.405  26.090  29.159
  931    HB   THR 116           HB       THR 116 -33.288  23.288  29.285
  932    HG1  THR 116           HG1      THR 116 -33.032  23.330  27.112
  933   1HG2  THR 116          3HG2      THR 116 -35.715  23.604  29.576
  934   2HG2  THR 116          2HG2      THR 116 -35.783  24.489  28.053
  935   3HG2  THR 116          1HG2      THR 116 -35.364  22.776  28.059
  936    H    THR 117           H        THR 117 -35.347  26.424  31.178
  937    HA   THR 117           HA       THR 117 -34.450  24.698  33.447
  938    HB   THR 117           HB       THR 117 -33.184  26.805  33.527
  939    HG1  THR 117           HG1      THR 117 -33.734  26.095  35.519
  940   1HG2  THR 117          3HG2      THR 117 -35.925  28.098  33.458
  941   2HG2  THR 117          2HG2      THR 117 -34.427  28.955  33.817
  942   3HG2  THR 117          1HG2      THR 117 -34.670  28.231  32.226

  No H/Q in entry =         942
  Start of MODEL    9
    1    H1   MET   1           H        MET   1 -16.220 -12.679 -14.627
    2    H2   MET   1           HN2      MET   1 -16.464 -13.554 -13.192
    3    HA   MET   1           HA       MET   1 -14.298 -14.635 -13.467
    4   1HB   MET   1          1HB       MET   1 -14.673 -14.219 -16.042
    5   2HB   MET   1          2HB       MET   1 -13.830 -12.702 -15.724
    6   1HG   MET   1          1HG       MET   1 -12.099 -14.247 -14.491
    7   2HG   MET   1          2HG       MET   1 -12.810 -15.517 -15.486
    8   1HE   MET   1          3HE       MET   1 -13.359 -15.264 -17.802
    9   2HE   MET   1          2HE       MET   1 -13.534 -13.576 -18.275
   10   3HE   MET   1          1HE       MET   1 -12.291 -14.571 -19.029
   11    H    ALA   2           H        ALA   2 -15.152 -12.877 -11.586
   12    HA   ALA   2           HA       ALA   2 -13.102 -10.684 -11.642
   13   1HB   ALA   2          2HB       ALA   2 -16.041 -10.711 -11.041
   14   2HB   ALA   2          1HB       ALA   2 -15.016  -9.563 -10.179
   15   3HB   ALA   2          3HB       ALA   2 -15.099  -9.522 -11.940
   16    H    GLU   3           H        GLU   3 -11.827 -12.435 -10.389
   17    HA   GLU   3           HA       GLU   3 -12.597 -12.337  -7.492
   18   1HB   GLU   3          1HB       GLU   3 -12.977 -14.519  -8.958
   19   2HB   GLU   3          2HB       GLU   3 -11.245 -14.729  -8.697
   20   1HG   GLU   3          1HG       GLU   3 -11.959 -14.146  -6.179
   21   2HG   GLU   3          2HG       GLU   3 -13.484 -14.840  -6.733
   22    H    GLN   4           H        GLN   4 -10.963 -10.667  -7.109
   23    HA   GLN   4           HA       GLN   4  -8.138 -11.570  -7.585
   24   1HB   GLN   4          1HB       GLN   4  -9.618  -8.996  -7.844
   25   2HB   GLN   4          2HB       GLN   4  -7.955  -8.897  -7.261
   26   1HG   GLN   4          1HG       GLN   4  -7.496  -8.864  -9.508
   27   2HG   GLN   4          2HG       GLN   4  -7.595 -10.615  -9.308
   28   1HE2  GLN   4          1HE2      GLN   4  -9.108 -11.670 -10.663
   29   2HE2  GLN   4          2HE2      GLN   4 -10.393 -10.884 -11.444
   30    H    ARG   5           H        ARG   5  -6.627 -11.228  -5.808
   31    HA   ARG   5           HA       ARG   5  -7.959 -10.708  -3.166
   32   1HB   ARG   5          1HB       ARG   5  -6.060 -12.718  -4.227
   33   2HB   ARG   5          2HB       ARG   5  -5.656 -12.091  -2.628
   34   1HG   ARG   5          1HG       ARG   5  -8.424 -13.088  -3.334
   35   2HG   ARG   5          2HG       ARG   5  -7.179 -14.139  -2.657
   36   1HD   ARG   5          1HD       ARG   5  -7.035 -12.046  -0.917
   37   2HD   ARG   5          2HD       ARG   5  -8.760 -12.009  -1.334
   38    HE   ARG   5           HE       ARG   5  -7.333 -14.330  -0.130
   39   1HH1  ARG   5          1HH1      ARG   5  -9.272 -15.587  -1.799
   40   2HH1  ARG   5          2HH1      ARG   5 -10.748 -15.524  -0.894
   41   1HH2  ARG   5          1HH2      ARG   5  -9.633 -13.045   1.258
   42   2HH2  ARG   5          2HH2      ARG   5 -10.952 -14.085   0.837
   43    H    PHE   6           H        PHE   6  -7.089  -9.014  -1.927
   44    HA   PHE   6           HA       PHE   6  -4.548  -7.769  -2.937
   45   1HB   PHE   6          1HB       PHE   6  -7.218  -6.782  -2.204
   46   2HB   PHE   6          2HB       PHE   6  -5.920  -5.890  -1.415
   47    HD1  PHE   6           HD1      PHE   6  -7.672  -6.499  -4.523
   48    HD2  PHE   6           HD2      PHE   6  -4.069  -4.893  -2.823
   49    HE1  PHE   6           HE1      PHE   6  -7.242  -5.243  -6.617
   50    HE2  PHE   6           HE2      PHE   6  -3.640  -3.639  -4.915
   51    HZ   PHE   6           HZ       PHE   6  -5.226  -3.812  -6.814
   52    H    CYS   7           H        CYS   7  -2.949  -7.235  -1.359
   53    HA   CYS   7           HA       CYS   7  -3.555  -7.982   1.489
   54   1HB   CYS   7          1HB       CYS   7  -2.313  -9.757   0.258
   55   2HB   CYS   7          2HB       CYS   7  -1.072  -8.579  -0.167
   56    HG   CYS   7           HG       CYS   7  -0.281  -9.802   2.009
   57    H    VAL   8           H        VAL   8  -2.281  -6.669   3.053
   58    HA   VAL   8           HA       VAL   8  -0.882  -4.336   1.780
   59    HB   VAL   8           HB       VAL   8  -1.853  -2.970   3.659
   60   1HG1  VAL   8          1HG1      VAL   8  -3.603  -4.377   1.650
   61   2HG1  VAL   8          3HG1      VAL   8  -4.262  -3.140   2.722
   62   3HG1  VAL   8          2HG1      VAL   8  -2.964  -2.733   1.599
   63   1HG2  VAL   8          2HG2      VAL   8  -2.439  -5.405   4.806
   64   2HG2  VAL   8          1HG2      VAL   8  -3.152  -3.871   5.291
   65   3HG2  VAL   8          3HG2      VAL   8  -4.003  -4.924   4.162
   66    H    ASP   9           H        ASP   9   1.176  -3.948   2.582
   67    HA   ASP   9           HA       ASP   9   1.890  -4.945   5.299
   68   1HB   ASP   9          1HB       ASP   9   2.245  -6.580   3.223
   69   2HB   ASP   9          2HB       ASP   9   3.693  -5.596   2.999
   70    H    TYR  10           H        TYR  10   3.970  -4.022   6.054
   71    HA   TYR  10           HA       TYR  10   4.521  -1.377   4.758
   72   1HB   TYR  10          1HB       TYR  10   4.297  -2.400   7.452
   73   2HB   TYR  10          2HB       TYR  10   5.897  -1.694   7.235
   74    HD1  TYR  10           HD1      TYR  10   5.935   0.633   5.967
   75    HD2  TYR  10           HD2      TYR  10   2.511  -0.993   7.993
   76    HE1  TYR  10           HE1      TYR  10   4.957   2.905   6.140
   77    HE2  TYR  10           HE2      TYR  10   1.537   1.282   8.164
   78    HH   TYR  10           HH       TYR  10   1.940   3.577   6.605
   79    H    ALA  11           H        ALA  11   6.779  -0.713   4.420
   80    HA   ALA  11           HA       ALA  11   8.570  -3.069   3.920
   81   1HB   ALA  11          2HB       ALA  11   7.718  -1.370   2.120
   82   2HB   ALA  11          3HB       ALA  11   9.423  -1.824   2.109
   83   3HB   ALA  11          1HB       ALA  11   8.923  -0.286   2.814
   84    H    LYS  12           H        LYS  12  10.618  -3.141   4.930
   85    HA   LYS  12           HA       LYS  12  11.633  -0.704   6.300
   86   1HB   LYS  12          1HB       LYS  12  10.076  -1.867   7.851
   87   2HB   LYS  12          2HB       LYS  12  11.035  -3.338   7.687
   88   1HG   LYS  12          1HG       LYS  12  13.026  -1.760   8.398
   89   2HG   LYS  12          2HG       LYS  12  11.731  -0.767   9.068
   90   1HD   LYS  12          1HD       LYS  12  10.900  -2.721  10.340
   91   2HD   LYS  12          2HD       LYS  12  12.219  -3.695   9.691
   92   1HE   LYS  12          1HE       LYS  12  13.867  -2.469  10.881
   93   2HE   LYS  12          2HE       LYS  12  12.753  -1.123  11.197
   94   1HZ   LYS  12          2HZ       LYS  12  11.358  -2.642  12.480
   95   2HZ   LYS  12          1HZ       LYS  12  12.472  -3.899  12.226
   96   3HZ   LYS  12          3HZ       LYS  12  12.920  -2.545  13.142
   97    H    ARG  13           H        ARG  13  13.865  -0.629   5.966
   98    HA   ARG  13           HA       ARG  13  16.044  -1.346   5.421
   99   1HB   ARG  13          1HB       ARG  13  15.184  -2.642   7.635
  100   2HB   ARG  13          2HB       ARG  13  15.483  -4.028   6.585
  101   1HG   ARG  13          1HG       ARG  13  17.762  -3.565   6.394
  102   2HG   ARG  13          2HG       ARG  13  17.549  -1.858   6.788
  103   1HD   ARG  13          1HD       ARG  13  17.149  -2.369   9.120
  104   2HD   ARG  13          2HD       ARG  13  17.098  -4.110   8.778
  105    HE   ARG  13           HE       ARG  13  19.461  -4.102   8.634
  106   1HH1  ARG  13          1HH1      ARG  13  18.585  -1.223   9.950
  107   2HH1  ARG  13          2HH1      ARG  13  19.922  -0.300   9.352
  108   1HH2  ARG  13          1HH2      ARG  13  21.017  -2.788   7.199
  109   2HH2  ARG  13          2HH2      ARG  13  21.300  -1.185   7.794
  110    H    GLY  14           H        GLY  14  16.013  -1.555   3.117
  111   1HA   GLY  14          2HA       GLY  14  14.954  -4.085   1.976
  112   2HA   GLY  14          1HA       GLY  14  16.664  -3.732   1.731
  113    H    THR  15           H        THR  15  14.506  -3.917  -0.332
  114    HA   THR  15           HA       THR  15  14.054  -1.130  -1.212
  115    HB   THR  15           HB       THR  15  15.363  -1.900  -3.404
  116    HG1  THR  15           HG1      THR  15  15.909  -3.932  -2.729
  117   1HG2  THR  15          2HG2      THR  15  15.835  -0.050  -1.599
  118   2HG2  THR  15          1HG2      THR  15  17.081  -1.173  -1.054
  119   3HG2  THR  15          3HG2      THR  15  17.121  -0.543  -2.701
  120    H    ALA  16           H        ALA  16  12.250  -1.054  -2.627
  121    HA   ALA  16           HA       ALA  16  11.431  -3.576  -3.984
  122   1HB   ALA  16          3HB       ALA  16   9.071  -2.474  -2.956
  123   2HB   ALA  16          1HB       ALA  16  10.234  -2.326  -1.638
  124   3HB   ALA  16          2HB       ALA  16   9.902  -3.906  -2.347
  125    H    GLY  17           H        GLY  17  11.500  -2.816  -6.123
  126   1HA   GLY  17          2HA       GLY  17  10.962  -1.498  -7.980
  127   2HA   GLY  17          1HA       GLY  17  10.938  -0.115  -6.883
  128    H    CYS  18           H        CYS  18   8.946   0.859  -6.653
  129    HA   CYS  18           HA       CYS  18   6.474  -0.558  -6.236
  130   1HB   CYS  18          1HB       CYS  18   6.799   1.751  -5.557
  131   2HB   CYS  18          2HB       CYS  18   7.140   2.243  -7.209
  132    H    LYS  19           H        LYS  19   5.143  -1.610  -7.717
  133    HA   LYS  19           HA       LYS  19   5.851  -1.888 -10.499
  134   1HB   LYS  19          1HB       LYS  19   4.392  -3.424  -9.088
  135   2HB   LYS  19          2HB       LYS  19   3.097  -2.239  -9.259
  136   1HG   LYS  19          1HG       LYS  19   2.647  -3.692 -11.034
  137   2HG   LYS  19          2HG       LYS  19   3.616  -2.448 -11.824
  138   1HD   LYS  19          1HD       LYS  19   5.621  -4.025 -11.054
  139   2HD   LYS  19          2HD       LYS  19   4.355  -5.253 -11.105
  140   1HE   LYS  19          1HE       LYS  19   3.825  -4.613 -13.441
  141   2HE   LYS  19          2HE       LYS  19   5.122  -3.402 -13.392
  142   1HZ   LYS  19          3HZ       LYS  19   5.465  -6.308 -12.860
  143   2HZ   LYS  19          2HZ       LYS  19   5.910  -5.520 -14.299
  144   3HZ   LYS  19          1HZ       LYS  19   6.695  -5.140 -12.840
  145    H    LYS  20           H        LYS  20   4.940  -0.831 -12.402
  146    HA   LYS  20           HA       LYS  20   4.112   1.049 -13.583
  147   1HB   LYS  20          1HB       LYS  20   2.146   0.606 -11.318
  148   2HB   LYS  20          2HB       LYS  20   1.882   1.861 -12.532
  149   1HG   LYS  20          1HG       LYS  20   2.076   0.136 -14.318
  150   2HG   LYS  20          2HG       LYS  20   2.235  -1.102 -13.072
  151   1HD   LYS  20          1HD       LYS  20   0.000   0.006 -12.162
  152   2HD   LYS  20          2HD       LYS  20  -0.164   0.512 -13.844
  153   1HE   LYS  20          1HE       LYS  20  -0.262  -1.708 -14.635
  154   2HE   LYS  20          2HE       LYS  20   0.478  -2.360 -13.160
  155   1HZ   LYS  20          1HZ       LYS  20  -2.127  -0.936 -13.209
  156   2HZ   LYS  20          3HZ       LYS  20  -1.984  -2.626 -13.256
  157   3HZ   LYS  20          2HZ       LYS  20  -1.434  -1.765 -11.898
  158    H    CYS  21           H        CYS  21   6.287   1.661 -11.855
  159    HA   CYS  21           HA       CYS  21   5.798   4.514 -11.299
  160   1HB   CYS  21          1HB       CYS  21   4.763   3.425  -9.385
  161   2HB   CYS  21          2HB       CYS  21   6.179   2.416  -9.141
  162    H    LYS  22           H        LYS  22   7.836   5.654 -10.857
  163    HA   LYS  22           HA       LYS  22  10.273   4.022 -11.496
  164   1HB   LYS  22          1HB       LYS  22   9.684   7.003 -11.664
  165   2HB   LYS  22          2HB       LYS  22  11.202   6.246 -12.150
  166   1HG   LYS  22          1HG       LYS  22   8.597   5.279 -13.305
  167   2HG   LYS  22          2HG       LYS  22   9.387   6.707 -13.974
  168   1HD   LYS  22          1HD       LYS  22  11.177   5.508 -14.794
  169   2HD   LYS  22          2HD       LYS  22  11.077   4.290 -13.522
  170   1HE   LYS  22          1HE       LYS  22  10.220   3.033 -15.269
  171   2HE   LYS  22          2HE       LYS  22   8.713   3.823 -14.764
  172   1HZ   LYS  22          2HZ       LYS  22  10.607   5.022 -16.709
  173   2HZ   LYS  22          1HZ       LYS  22   9.272   4.083 -17.179
  174   3HZ   LYS  22          3HZ       LYS  22   9.031   5.540 -16.343
  175    H    GLU  23           H        GLU  23   9.243   3.866  -8.839
  176    HA   GLU  23           HA       GLU  23  11.397   5.274  -7.328
  177   1HB   GLU  23          1HB       GLU  23   8.929   6.292  -7.452
  178   2HB   GLU  23          2HB       GLU  23   8.634   5.098  -6.193
  179   1HG   GLU  23          1HG       GLU  23   9.976   6.168  -4.668
  180   2HG   GLU  23          2HG       GLU  23  11.088   6.754  -5.907
  181    H    LYS  24           H        LYS  24  11.107   4.321  -4.839
  182    HA   LYS  24           HA       LYS  24  10.734   1.345  -5.085
  183   1HB   LYS  24          1HB       LYS  24  12.875   3.006  -3.717
  184   2HB   LYS  24          2HB       LYS  24  12.697   1.266  -3.491
  185   1HG   LYS  24          1HG       LYS  24  13.240   0.795  -5.738
  186   2HG   LYS  24          2HG       LYS  24  12.926   2.454  -6.253
  187   1HD   LYS  24          1HD       LYS  24  14.871   2.956  -4.480
  188   2HD   LYS  24          2HD       LYS  24  15.331   1.307  -4.911
  189   1HE   LYS  24          1HE       LYS  24  15.137   2.040  -7.362
  190   2HE   LYS  24          2HE       LYS  24  15.079   3.704  -6.745
  191   1HZ   LYS  24          1HZ       LYS  24  17.102   3.177  -5.438
  192   2HZ   LYS  24          3HZ       LYS  24  17.202   1.687  -6.244
  193   3HZ   LYS  24          2HZ       LYS  24  17.359   3.136  -7.117
  194    H    ILE  25           H        ILE  25  10.233   0.296  -2.977
  195    HA   ILE  25           HA       ILE  25   8.838   2.165  -1.090
  196    HB   ILE  25           HB       ILE  25   8.201  -0.679  -1.953
  197   1HG1  ILE  25          1HG1      ILE  25   6.277   1.520  -2.435
  198   2HG1  ILE  25          2HG1      ILE  25   7.767   1.627  -3.372
  199   1HG2  ILE  25          3HG2      ILE  25   7.450   0.714   0.407
  200   2HG2  ILE  25          2HG2      ILE  25   6.030   0.694  -0.638
  201   3HG2  ILE  25          1HG2      ILE  25   6.815  -0.818  -0.188
  202   1HD1  ILE  25          3HD1      ILE  25   6.147  -0.920  -3.194
  203   2HD1  ILE  25          2HD1      ILE  25   5.866   0.294  -4.443
  204   3HD1  ILE  25          1HD1      ILE  25   7.424  -0.526  -4.345
  205    H    VAL  26           H        VAL  26  10.387   2.302   0.616
  206    HA   VAL  26           HA       VAL  26  10.810  -0.145   2.192
  207    HB   VAL  26           HB       VAL  26  12.480  -0.329   0.389
  208   1HG1  VAL  26          3HG1      VAL  26  13.434   2.361   1.418
  209   2HG1  VAL  26          2HG1      VAL  26  14.290   1.371   0.237
  210   3HG1  VAL  26          1HG1      VAL  26  12.709   2.045  -0.159
  211   1HG2  VAL  26          3HG2      VAL  26  13.165  -0.040   3.241
  212   2HG2  VAL  26          2HG2      VAL  26  13.563  -1.336   2.114
  213   3HG2  VAL  26          1HG2      VAL  26  14.551   0.123   2.161
  214    H    LYS  27           H        LYS  27  11.343   0.356   4.374
  215    HA   LYS  27           HA       LYS  27  11.527   1.711   6.288
  216   1HB   LYS  27          1HB       LYS  27  13.763   1.907   5.167
  217   2HB   LYS  27          2HB       LYS  27  13.190   3.376   4.376
  218   1HG   LYS  27          1HG       LYS  27  14.111   4.372   6.222
  219   2HG   LYS  27          2HG       LYS  27  12.547   3.970   6.932
  220   1HD   LYS  27          1HD       LYS  27  13.496   1.827   7.757
  221   2HD   LYS  27          2HD       LYS  27  15.067   2.291   7.103
  222   1HE   LYS  27          1HE       LYS  27  15.394   3.162   9.203
  223   2HE   LYS  27          2HE       LYS  27  14.427   4.516   8.585
  224   1HZ   LYS  27          2HZ       LYS  27  13.291   2.074   9.843
  225   2HZ   LYS  27          1HZ       LYS  27  13.512   3.550  10.653
  226   3HZ   LYS  27          3HZ       LYS  27  12.433   3.454   9.348
  227    H    GLY  28           H        GLY  28   9.419   2.591   6.631
  228   1HA   GLY  28          2HA       GLY  28   9.143   5.430   5.970
  229   2HA   GLY  28          1HA       GLY  28   8.051   4.488   6.976
  230    H    VAL  29           H        VAL  29   8.164   2.544   4.316
  231    HA   VAL  29           HA       VAL  29   5.998   4.103   2.954
  232    HB   VAL  29           HB       VAL  29   8.072   2.219   1.777
  233   1HG1  VAL  29          2HG1      VAL  29   5.855   2.217   0.624
  234   2HG1  VAL  29          1HG1      VAL  29   5.998   3.961   0.415
  235   3HG1  VAL  29          3HG1      VAL  29   7.142   2.882  -0.382
  236   1HG2  VAL  29          2HG2      VAL  29   7.898   5.179   2.106
  237   2HG2  VAL  29          1HG2      VAL  29   9.321   4.137   2.055
  238   3HG2  VAL  29          3HG2      VAL  29   8.500   4.583   0.556
  239    H    CYS  30           H        CYS  30   4.051   2.989   2.682
  240    HA   CYS  30           HA       CYS  30   3.982   0.133   3.585
  241   1HB   CYS  30          1HB       CYS  30   2.528   1.832   4.702
  242   2HB   CYS  30          2HB       CYS  30   1.766   2.168   3.148
  243    HG   CYS  30           HG       CYS  30   0.488   0.275   4.674
  244    H    ARG  31           H        ARG  31   3.301  -1.497   2.097
  245    HA   ARG  31           HA       ARG  31   2.543  -0.518  -0.638
  246   1HB   ARG  31          1HB       ARG  31   3.969  -2.353  -1.511
  247   2HB   ARG  31          2HB       ARG  31   4.894  -1.215  -0.534
  248   1HG   ARG  31          1HG       ARG  31   3.710  -3.462   0.982
  249   2HG   ARG  31          2HG       ARG  31   4.940  -3.931  -0.188
  250   1HD   ARG  31          1HD       ARG  31   5.744  -1.555   1.323
  251   2HD   ARG  31          2HD       ARG  31   5.437  -2.950   2.376
  252    HE   ARG  31           HE       ARG  31   7.586  -2.749   0.423
  253   1HH1  ARG  31          1HH1      ARG  31   7.211  -4.389   3.076
  254   2HH1  ARG  31          2HH1      ARG  31   7.393  -5.993   2.448
  255   1HH2  ARG  31          1HH2      ARG  31   7.033  -5.022  -0.861
  256   2HH2  ARG  31          2HH2      ARG  31   7.291  -6.352   0.219
  257    H    ILE  32           H        ILE  32   1.067  -1.871  -1.823
  258    HA   ILE  32           HA       ILE  32  -0.348  -3.905  -0.134
  259    HB   ILE  32           HB       ILE  32  -1.406  -2.502  -2.612
  260   1HG1  ILE  32          1HG1      ILE  32  -1.785  -1.582   0.265
  261   2HG1  ILE  32          2HG1      ILE  32  -0.698  -0.796  -0.880
  262   1HG2  ILE  32          2HG2      ILE  32  -2.506  -4.570  -1.621
  263   2HG2  ILE  32          1HG2      ILE  32  -2.871  -3.589  -0.202
  264   3HG2  ILE  32          3HG2      ILE  32  -3.545  -3.152  -1.773
  265   1HD1  ILE  32          2HD1      ILE  32  -3.660  -1.197  -1.377
  266   2HD1  ILE  32          1HD1      ILE  32  -2.967   0.289  -0.725
  267   3HD1  ILE  32          3HD1      ILE  32  -2.539  -0.245  -2.351
  268    H    GLY  33           H        GLY  33  -0.502  -6.032  -0.981
  269   1HA   GLY  33          2HA       GLY  33   0.681  -7.707  -2.302
  270   2HA   GLY  33          1HA       GLY  33   0.897  -6.496  -3.567
  271    H    LYS  34           H        LYS  34  -0.358  -7.054  -5.335
  272    HA   LYS  34           HA       LYS  34  -3.195  -7.863  -4.800
  273   1HB   LYS  34          1HB       LYS  34  -2.764  -5.787  -6.099
  274   2HB   LYS  34          2HB       LYS  34  -1.852  -6.728  -7.279
  275   1HG   LYS  34          1HG       LYS  34  -4.131  -8.173  -7.241
  276   2HG   LYS  34          2HG       LYS  34  -4.788  -6.590  -6.830
  277   1HD   LYS  34          1HD       LYS  34  -2.981  -7.122  -9.205
  278   2HD   LYS  34          2HD       LYS  34  -4.740  -7.018  -9.295
  279   1HE   LYS  34          1HE       LYS  34  -4.698  -4.706  -8.518
  280   2HE   LYS  34          2HE       LYS  34  -2.944  -4.794  -8.262
  281   1HZ   LYS  34          1HZ       LYS  34  -2.764  -5.460 -10.645
  282   2HZ   LYS  34          3HZ       LYS  34  -4.405  -5.076 -10.832
  283   3HZ   LYS  34          2HZ       LYS  34  -3.292  -3.863 -10.409
  284    H    VAL  35           H        VAL  35  -3.593 -10.070  -5.101
  285    HA   VAL  35           HA       VAL  35  -1.686 -11.606  -6.824
  286    HB   VAL  35           HB       VAL  35  -3.792 -12.502  -4.821
  287   1HG1  VAL  35          2HG1      VAL  35  -3.260 -14.193  -6.557
  288   2HG1  VAL  35          1HG1      VAL  35  -1.547 -14.040  -6.164
  289   3HG1  VAL  35          3HG1      VAL  35  -2.671 -14.684  -4.968
  290   1HG2  VAL  35          1HG2      VAL  35  -1.773 -11.176  -3.958
  291   2HG2  VAL  35          3HG2      VAL  35  -2.004 -12.779  -3.259
  292   3HG2  VAL  35          2HG2      VAL  35  -0.782 -12.527  -4.506
  293    H    VAL  36           H        VAL  36  -2.426 -11.598  -8.966
  294    HA   VAL  36           HA       VAL  36  -5.312 -12.306  -9.384
  295    HB   VAL  36           HB       VAL  36  -4.814  -9.958  -9.931
  296   1HG1  VAL  36          3HG1      VAL  36  -2.411 -11.139 -11.075
  297   2HG1  VAL  36          2HG1      VAL  36  -3.222 -10.093 -12.235
  298   3HG1  VAL  36          1HG1      VAL  36  -2.743  -9.460 -10.662
  299   1HG2  VAL  36          1HG2      VAL  36  -5.279 -11.817 -12.273
  300   2HG2  VAL  36          3HG2      VAL  36  -6.487 -10.955 -11.319
  301   3HG2  VAL  36          2HG2      VAL  36  -5.423 -10.064 -12.407
  302    HA   PRO  37           HA       PRO  37  -3.571 -15.718 -11.619
  303   1HB   PRO  37          1HB       PRO  37  -5.745 -16.457 -13.108
  304   2HB   PRO  37          2HB       PRO  37  -5.605 -16.796 -11.372
  305   1HG   PRO  37          1HG       PRO  37  -7.133 -14.659 -12.766
  306   2HG   PRO  37          2HG       PRO  37  -7.567 -15.609 -11.336
  307   1HD   PRO  37          1HD       PRO  37  -6.648 -13.042 -11.225
  308   2HD   PRO  37          2HD       PRO  37  -6.443 -14.220  -9.912
  309    H    ASN  38           H        ASN  38  -2.215 -15.560 -13.420
  310    HA   ASN  38           HA       ASN  38  -3.025 -13.675 -15.603
  311   1HB   ASN  38          1HB       ASN  38  -0.404 -14.783 -14.584
  312   2HB   ASN  38          2HB       ASN  38  -0.511 -13.937 -16.128
  313   1HD2  ASN  38          2HD2      ASN  38   0.802 -12.109 -15.245
  314   2HD2  ASN  38          1HD2      ASN  38   0.100 -11.012 -14.157
  315    HA   PRO  39           HA       PRO  39  -3.615 -17.531 -17.885
  316   1HB   PRO  39          1HB       PRO  39  -4.683 -16.419 -20.143
  317   2HB   PRO  39          2HB       PRO  39  -5.626 -16.691 -18.665
  318   1HG   PRO  39          1HG       PRO  39  -4.435 -14.182 -19.711
  319   2HG   PRO  39          2HG       PRO  39  -5.960 -14.437 -18.851
  320   1HD   PRO  39          1HD       PRO  39  -3.676 -13.445 -17.692
  321   2HD   PRO  39          2HD       PRO  39  -4.979 -14.265 -16.805
  322    H    PHE  40           H        PHE  40  -1.039 -17.240 -17.891
  323    HA   PHE  40           HA       PHE  40  -0.213 -17.053 -20.745
  324   1HB   PHE  40          1HB       PHE  40   0.029 -14.807 -19.728
  325   2HB   PHE  40          2HB       PHE  40   1.033 -15.497 -18.453
  326    HD1  PHE  40           HD1      PHE  40   0.860 -14.601 -22.021
  327    HD2  PHE  40           HD2      PHE  40   3.299 -16.277 -18.910
  328    HE1  PHE  40           HE1      PHE  40   2.860 -14.385 -23.473
  329    HE2  PHE  40           HE2      PHE  40   5.298 -16.063 -20.359
  330    HZ   PHE  40           HZ       PHE  40   5.080 -15.115 -22.641
  331    H    SER  41           H        SER  41   1.260 -17.401 -17.446
  332    HA   SER  41           HA       SER  41   2.805 -19.740 -18.515
  333   1HB   SER  41          1HB       SER  41   4.471 -19.139 -16.937
  334   2HB   SER  41          2HB       SER  41   3.871 -17.590 -17.520
  335    HG   SER  41           HG       SER  41   3.864 -17.491 -15.312
  336    H    GLU  42           H        GLU  42   2.997 -21.653 -17.068
  337    HA   GLU  42           HA       GLU  42   0.512 -22.052 -15.460
  338   1HB   GLU  42          1HB       GLU  42   2.651 -23.884 -16.585
  339   2HB   GLU  42          2HB       GLU  42   1.348 -24.464 -15.547
  340   1HG   GLU  42          1HG       GLU  42   0.382 -24.776 -17.634
  341   2HG   GLU  42          2HG       GLU  42  -0.170 -23.140 -17.272
  342    H    SER  43           H        SER  43   4.088 -22.218 -15.089
  343    HA   SER  43           HA       SER  43   4.162 -23.192 -12.399
  344   1HB   SER  43          1HB       SER  43   6.053 -22.670 -14.152
  345   2HB   SER  43          2HB       SER  43   6.066 -21.077 -13.401
  346    HG   SER  43           HG       SER  43   7.505 -22.742 -12.484
  347    H    GLY  44           H        GLY  44   3.799 -19.827 -13.621
  348   1HA   GLY  44          2HA       GLY  44   3.822 -17.886 -12.100
  349   2HA   GLY  44          1HA       GLY  44   3.301 -18.962 -10.802
  350    H    GLY  45           H        GLY  45   1.057 -19.978 -11.121
  351   1HA   GLY  45          2HA       GLY  45  -1.236 -19.714 -11.524
  352   2HA   GLY  45          1HA       GLY  45  -0.781 -18.985 -13.064
  353    H    ASP  46           H        ASP  46  -0.121 -17.879  -9.693
  354    HA   ASP  46           HA       ASP  46  -1.684 -15.395 -10.336
  355   1HB   ASP  46          1HB       ASP  46  -1.318 -17.130  -7.923
  356   2HB   ASP  46          2HB       ASP  46  -1.589 -15.407  -7.664
  357    H    MET  47           H        MET  47  -0.594 -13.395 -10.096
  358    HA   MET  47           HA       MET  47   2.254 -13.549  -9.156
  359   1HB   MET  47          1HB       MET  47   1.638 -13.085 -11.619
  360   2HB   MET  47          2HB       MET  47   1.050 -11.522 -11.048
  361   1HG   MET  47          1HG       MET  47   3.200 -10.857 -10.305
  362   2HG   MET  47          2HG       MET  47   3.824 -12.504 -10.375
  363   1HE   MET  47          1HE       MET  47   4.678  -9.714 -11.297
  364   2HE   MET  47          3HE       MET  47   5.919 -10.727 -12.048
  365   3HE   MET  47          2HE       MET  47   5.023  -9.559 -13.017
  366    H    LYS  48           H        LYS  48   2.945 -11.945  -7.649
  367    HA   LYS  48           HA       LYS  48   0.791 -10.114  -6.632
  368   1HB   LYS  48          1HB       LYS  48   1.495 -11.995  -5.150
  369   2HB   LYS  48          2HB       LYS  48   3.148 -11.380  -5.197
  370   1HG   LYS  48          1HG       LYS  48   1.873  -9.120  -4.473
  371   2HG   LYS  48          2HG       LYS  48   0.765 -10.302  -3.777
  372   1HD   LYS  48          1HD       LYS  48   3.740 -10.522  -3.338
  373   2HD   LYS  48          2HD       LYS  48   2.744  -9.492  -2.309
  374   1HE   LYS  48          1HE       LYS  48   1.716 -12.249  -2.771
  375   2HE   LYS  48          2HE       LYS  48   3.158 -12.101  -1.745
  376   1HZ   LYS  48          3HZ       LYS  48   1.976 -10.261  -0.576
  377   2HZ   LYS  48          2HZ       LYS  48   0.569 -10.682  -1.429
  378   3HZ   LYS  48          1HZ       LYS  48   1.274 -11.788  -0.350
  379    H    GLU  49           H        GLU  49   1.278  -7.911  -6.816
  380    HA   GLU  49           HA       GLU  49   4.167  -7.174  -7.177
  381   1HB   GLU  49          1HB       GLU  49   1.636  -6.020  -8.400
  382   2HB   GLU  49          2HB       GLU  49   3.260  -5.382  -8.663
  383   1HG   GLU  49          1HG       GLU  49   3.183  -6.780 -10.480
  384   2HG   GLU  49          2HG       GLU  49   3.703  -7.971  -9.286
  385    H    TRP  50           H        TRP  50   4.834  -5.212  -6.076
  386    HA   TRP  50           HA       TRP  50   3.014  -4.426  -3.847
  387   1HB   TRP  50          1HB       TRP  50   5.945  -3.980  -4.479
  388   2HB   TRP  50          2HB       TRP  50   5.150  -3.223  -3.099
  389    HD1  TRP  50           HD1      TRP  50   7.251  -5.991  -3.675
  390    HE1  TRP  50           HE1      TRP  50   6.835  -7.940  -2.042
  391    HE3  TRP  50           HE3      TRP  50   2.653  -4.670  -1.861
  392    HZ2  TRP  50           HZ2      TRP  50   4.827  -8.824  -0.211
  393    HZ3  TRP  50           HZ3      TRP  50   1.521  -6.085  -0.174
  394    HH2  TRP  50           HH2      TRP  50   2.598  -8.159   0.652
  395    H    TYR  51           H        TYR  51   2.812  -2.028  -3.355
  396    HA   TYR  51           HA       TYR  51   3.175  -0.251  -5.722
  397   1HB   TYR  51          1HB       TYR  51   0.587  -0.917  -4.291
  398   2HB   TYR  51          2HB       TYR  51   0.765   0.462  -5.372
  399    HD1  TYR  51           HD1      TYR  51   0.451  -3.168  -5.135
  400    HD2  TYR  51           HD2      TYR  51   1.228   0.117  -7.796
  401    HE1  TYR  51           HE1      TYR  51  -0.009  -4.637  -7.069
  402    HE2  TYR  51           HE2      TYR  51   0.769  -1.353  -9.735
  403    HH   TYR  51           HH       TYR  51   0.862  -4.479  -9.739
  404    H    HIS  52           H        HIS  52   2.418   2.093  -5.018
  405    HA   HIS  52           HA       HIS  52   3.524   2.612  -2.277
  406   1HB   HIS  52          1HB       HIS  52   3.341   4.018  -4.882
  407   2HB   HIS  52          2HB       HIS  52   3.182   5.051  -3.467
  408    HD2  HIS  52           HD2      HIS  52   5.453   3.968  -1.497
  409    HE1  HIS  52           HE1      HIS  52   8.112   3.872  -4.790
  410    HE2  HIS  52           HE2      HIS  52   7.919   3.840  -2.282
  411    H    ILE  53           H        ILE  53   2.292   4.864  -1.434
  412    HA   ILE  53           HA       ILE  53  -0.523   4.016  -1.068
  413    HB   ILE  53           HB       ILE  53   1.028   6.409  -0.012
  414   1HG1  ILE  53          1HG1      ILE  53   1.975   4.231   0.687
  415   2HG1  ILE  53          2HG1      ILE  53   1.231   5.064   2.050
  416   1HG2  ILE  53          1HG2      ILE  53  -1.701   6.102  -0.057
  417   2HG2  ILE  53          3HG2      ILE  53  -1.297   5.353   1.485
  418   3HG2  ILE  53          2HG2      ILE  53  -0.820   7.014   1.172
  419   1HD1  ILE  53          1HD1      ILE  53  -0.872   3.591   0.979
  420   2HD1  ILE  53          3HD1      ILE  53   0.511   2.505   0.822
  421   3HD1  ILE  53          2HD1      ILE  53   0.074   3.151   2.403
  422    H    LYS  54           H        LYS  54   1.270   6.616  -2.767
  423    HA   LYS  54           HA       LYS  54  -1.295   7.841  -3.632
  424   1HB   LYS  54          1HB       LYS  54   1.085   8.924  -2.976
  425   2HB   LYS  54          2HB       LYS  54   1.347   8.719  -4.708
  426   1HG   LYS  54          1HG       LYS  54  -0.264  10.257  -5.276
  427   2HG   LYS  54          2HG       LYS  54  -1.261   9.889  -3.868
  428   1HD   LYS  54          1HD       LYS  54   1.409  11.136  -3.383
  429   2HD   LYS  54          2HD       LYS  54   0.130  12.165  -4.032
  430   1HE   LYS  54          1HE       LYS  54  -1.365  11.354  -2.156
  431   2HE   LYS  54          2HE       LYS  54   0.061  10.564  -1.454
  432   1HZ   LYS  54          2HZ       LYS  54  -0.005  13.424  -2.247
  433   2HZ   LYS  54          1HZ       LYS  54  -0.318  12.890  -0.664
  434   3HZ   LYS  54          3HZ       LYS  54   1.205  12.627  -1.362
  435    H    CYS  55           H        CYS  55   1.343   5.857  -4.986
  436    HA   CYS  55           HA       CYS  55   0.639   6.159  -7.758
  437   1HB   CYS  55          1HB       CYS  55   1.885   3.818  -6.279
  438   2HB   CYS  55          2HB       CYS  55   1.892   4.012  -8.029
  439    H    MET  56           H        MET  56  -0.282   3.535  -5.469
  440    HA   MET  56           HA       MET  56  -2.072   2.260  -7.360
  441   1HB   MET  56          1HB       MET  56  -1.072   1.153  -5.356
  442   2HB   MET  56          2HB       MET  56  -2.082   2.159  -4.321
  443   1HG   MET  56          1HG       MET  56  -3.213   0.050  -4.568
  444   2HG   MET  56          2HG       MET  56  -4.093   1.224  -5.547
  445   1HE   MET  56          2HE       MET  56  -5.223  -0.540  -6.416
  446   2HE   MET  56          1HE       MET  56  -4.958   0.084  -8.041
  447   3HE   MET  56          3HE       MET  56  -4.736  -1.638  -7.706
  448    H    PHE  57           H        PHE  57  -2.613   4.716  -4.805
  449    HA   PHE  57           HA       PHE  57  -5.517   4.703  -5.246
  450   1HB   PHE  57          1HB       PHE  57  -3.546   6.254  -3.615
  451   2HB   PHE  57          2HB       PHE  57  -5.125   6.984  -3.902
  452    HD1  PHE  57           HD1      PHE  57  -3.294   4.468  -2.046
  453    HD2  PHE  57           HD2      PHE  57  -7.220   5.649  -3.318
  454    HE1  PHE  57           HE1      PHE  57  -4.277   3.018  -0.312
  455    HE2  PHE  57           HE2      PHE  57  -8.214   4.188  -1.579
  456    HZ   PHE  57           HZ       PHE  57  -6.745   2.871  -0.077
  457    H    GLU  58           H        GLU  58  -2.755   6.452  -6.652
  458    HA   GLU  58           HA       GLU  58  -4.413   8.539  -7.875
  459   1HB   GLU  58          1HB       GLU  58  -1.990   8.826  -7.400
  460   2HB   GLU  58          2HB       GLU  58  -1.621   7.545  -8.555
  461   1HG   GLU  58          1HG       GLU  58  -2.825   8.922 -10.311
  462   2HG   GLU  58          2HG       GLU  58  -2.878  10.238  -9.137
  463    H    LYS  59           H        LYS  59  -3.128   5.352  -8.906
  464    HA   LYS  59           HA       LYS  59  -4.004   5.596 -11.670
  465   1HB   LYS  59          1HB       LYS  59  -2.418   3.867 -10.341
  466   2HB   LYS  59          2HB       LYS  59  -3.910   2.928 -10.326
  467   1HG   LYS  59          1HG       LYS  59  -3.141   2.232 -12.369
  468   2HG   LYS  59          2HG       LYS  59  -3.914   3.724 -12.907
  469   1HD   LYS  59          1HD       LYS  59  -1.033   3.653 -11.996
  470   2HD   LYS  59          2HD       LYS  59  -1.493   3.356 -13.673
  471   1HE   LYS  59          1HE       LYS  59  -2.720   5.572 -13.645
  472   2HE   LYS  59          2HE       LYS  59  -1.980   5.880 -12.061
  473   1HZ   LYS  59          1HZ       LYS  59   0.197   5.352 -13.107
  474   2HZ   LYS  59          3HZ       LYS  59  -0.574   5.324 -14.618
  475   3HZ   LYS  59          2HZ       LYS  59  -0.528   6.762 -13.716
  476    H    LEU  60           H        LEU  60  -5.520   4.248  -8.719
  477    HA   LEU  60           HA       LEU  60  -7.900   3.222  -9.982
  478   1HB   LEU  60          1HB       LEU  60  -6.953   2.951  -7.556
  479   2HB   LEU  60          2HB       LEU  60  -7.835   4.438  -7.213
  480    HG   LEU  60           HG       LEU  60  -9.806   3.122  -8.434
  481   1HD1  LEU  60          3HD1      LEU  60  -7.981   1.189  -8.659
  482   2HD1  LEU  60          2HD1      LEU  60  -8.532   0.809  -7.027
  483   3HD1  LEU  60          1HD1      LEU  60  -9.679   0.812  -8.366
  484   1HD2  LEU  60          2HD2      LEU  60  -8.837   3.221  -5.622
  485   2HD2  LEU  60          1HD2      LEU  60 -10.382   3.738  -6.300
  486   3HD2  LEU  60          3HD2      LEU  60 -10.095   2.031  -5.964
  487    H    GLU  61           H        GLU  61  -7.129   6.464  -8.635
  488    HA   GLU  61           HA       GLU  61  -9.783   7.563  -9.109
  489   1HB   GLU  61          1HB       GLU  61  -7.766   8.374  -7.611
  490   2HB   GLU  61          2HB       GLU  61  -7.277   9.227  -9.074
  491   1HG   GLU  61          1HG       GLU  61  -9.452  10.350  -9.181
  492   2HG   GLU  61          2HG       GLU  61 -10.003   9.456  -7.763
  493    H    ARG  62           H        ARG  62  -6.823   7.353 -11.093
  494    HA   ARG  62           HA       ARG  62  -7.992   9.071 -13.202
  495   1HB   ARG  62          1HB       ARG  62  -5.452   8.571 -12.370
  496   2HB   ARG  62          2HB       ARG  62  -5.560   7.444 -13.722
  497   1HG   ARG  62          1HG       ARG  62  -6.544  10.249 -14.105
  498   2HG   ARG  62          2HG       ARG  62  -4.806   9.948 -14.130
  499   1HD   ARG  62          1HD       ARG  62  -4.934   8.586 -16.037
  500   2HD   ARG  62          2HD       ARG  62  -6.653   8.224 -15.778
  501    HE   ARG  62           HE       ARG  62  -7.164  10.555 -16.436
  502   1HH1  ARG  62          1HH1      ARG  62  -3.901  10.689 -16.042
  503   2HH1  ARG  62          2HH1      ARG  62  -3.526  11.317 -17.612
  504   1HH2  ARG  62          1HH2      ARG  62  -6.718  10.813 -18.869
  505   2HH2  ARG  62          2HH2      ARG  62  -5.120  11.388 -19.212
  506    H    ALA  63           H        ALA  63  -7.542   5.566 -12.602
  507    HA   ALA  63           HA       ALA  63  -8.683   5.025 -15.322
  508   1HB   ALA  63          1HB       ALA  63  -7.286   3.185 -13.352
  509   2HB   ALA  63          2HB       ALA  63  -6.476   4.035 -14.668
  510   3HB   ALA  63          3HB       ALA  63  -7.691   2.809 -15.027
  511    H    ARG  64           H        ARG  64 -10.960   5.161 -14.954
  512    HA   ARG  64           HA       ARG  64 -12.045   3.311 -12.850
  513   1HB   ARG  64          1HB       ARG  64 -12.255   6.001 -12.895
  514   2HB   ARG  64          2HB       ARG  64 -13.635   5.599 -13.917
  515   1HG   ARG  64          1HG       ARG  64 -14.599   4.212 -12.194
  516   2HG   ARG  64          2HG       ARG  64 -13.149   4.354 -11.199
  517   1HD   ARG  64          1HD       ARG  64 -14.394   6.020 -10.191
  518   2HD   ARG  64          2HD       ARG  64 -13.742   6.987 -11.531
  519    HE   ARG  64           HE       ARG  64 -15.829   6.593 -12.758
  520   1HH1  ARG  64          1HH1      ARG  64 -16.330   4.036 -11.003
  521   2HH1  ARG  64          2HH1      ARG  64 -17.770   4.534 -10.177
  522   1HH2  ARG  64          1HH2      ARG  64 -17.430   7.873 -11.048
  523   2HH2  ARG  64          2HH2      ARG  64 -18.392   6.706 -10.202
  524    H    ALA  65           H        ALA  65 -12.600   1.471 -14.107
  525    HA   ALA  65           HA       ALA  65 -13.790   1.850 -16.799
  526   1HB   ALA  65          2HB       ALA  65 -12.867  -0.461 -15.107
  527   2HB   ALA  65          3HB       ALA  65 -12.331   0.018 -16.717
  528   3HB   ALA  65          1HB       ALA  65 -13.896  -0.768 -16.507
  529    H    THR  66           H        THR  66 -14.864   0.764 -13.545
  530    HA   THR  66           HA       THR  66 -17.622   1.501 -14.110
  531    HB   THR  66           HB       THR  66 -18.075  -1.200 -13.705
  532    HG1  THR  66           HG1      THR  66 -16.666  -2.302 -14.964
  533   1HG2  THR  66          3HG2      THR  66 -18.790   0.681 -15.526
  534   2HG2  THR  66          2HG2      THR  66 -17.779  -0.359 -16.529
  535   3HG2  THR  66          1HG2      THR  66 -19.179  -1.032 -15.693
  536    H    THR  67           H        THR  67 -15.743  -0.893 -12.142
  537    HA   THR  67           HA       THR  67 -17.255   0.080  -9.738
  538    HB   THR  67           HB       THR  67 -15.681  -2.465  -9.790
  539    HG1  THR  67           HG1      THR  67 -17.216  -3.486 -10.975
  540   1HG2  THR  67          3HG2      THR  67 -18.284  -1.492  -8.605
  541   2HG2  THR  67          2HG2      THR  67 -17.814  -3.191  -8.574
  542   3HG2  THR  67          1HG2      THR  67 -16.820  -1.987  -7.756
  543    H    LYS  68           H        LYS  68 -15.960   0.199  -7.683
  544    HA   LYS  68           HA       LYS  68 -13.176   1.136  -8.247
  545   1HB   LYS  68          1HB       LYS  68 -15.023   1.446  -5.853
  546   2HB   LYS  68          2HB       LYS  68 -13.428   2.187  -5.996
  547   1HG   LYS  68          1HG       LYS  68 -14.108   3.617  -7.732
  548   2HG   LYS  68          2HG       LYS  68 -15.513   2.625  -8.124
  549   1HD   LYS  68          1HD       LYS  68 -16.723   3.378  -6.252
  550   2HD   LYS  68          2HD       LYS  68 -15.270   3.945  -5.426
  551   1HE   LYS  68          1HE       LYS  68 -15.063   5.558  -7.508
  552   2HE   LYS  68          2HE       LYS  68 -16.806   5.251  -7.655
  553   1HZ   LYS  68          2HZ       LYS  68 -15.420   6.084  -5.159
  554   2HZ   LYS  68          1HZ       LYS  68 -16.334   7.116  -6.152
  555   3HZ   LYS  68          3HZ       LYS  68 -17.091   5.832  -5.342
  556    H    LYS  69           H        LYS  69 -11.364   0.233  -7.094
  557    HA   LYS  69           HA       LYS  69 -11.912  -2.448  -5.880
  558   1HB   LYS  69          1HB       LYS  69  -9.535  -1.086  -7.150
  559   2HB   LYS  69          2HB       LYS  69  -9.329  -2.555  -6.194
  560   1HG   LYS  69          1HG       LYS  69 -10.417  -3.876  -7.731
  561   2HG   LYS  69          2HG       LYS  69 -11.480  -2.570  -8.257
  562   1HD   LYS  69          1HD       LYS  69  -9.901  -1.688  -9.721
  563   2HD   LYS  69          2HD       LYS  69  -8.542  -2.371  -8.828
  564   1HE   LYS  69          1HE       LYS  69  -8.867  -3.600 -10.945
  565   2HE   LYS  69          2HE       LYS  69  -9.257  -4.657  -9.574
  566   1HZ   LYS  69          3HZ       LYS  69 -11.269  -2.968 -10.952
  567   2HZ   LYS  69          2HZ       LYS  69 -10.988  -4.593 -11.361
  568   3HZ   LYS  69          1HZ       LYS  69 -11.556  -4.189  -9.810
  569    H    ILE  70           H        ILE  70 -10.687  -3.031  -3.866
  570    HA   ILE  70           HA       ILE  70 -10.062  -2.590  -1.640
  571    HB   ILE  70           HB       ILE  70  -8.891  -0.114  -2.961
  572   1HG1  ILE  70          1HG1      ILE  70  -7.619  -2.828  -2.477
  573   2HG1  ILE  70          2HG1      ILE  70  -8.238  -2.290  -4.039
  574   1HG2  ILE  70          2HG2      ILE  70  -9.048  -0.379  -0.359
  575   2HG2  ILE  70          1HG2      ILE  70  -7.769  -1.571  -0.581
  576   3HG2  ILE  70          3HG2      ILE  70  -7.512   0.100  -1.079
  577   1HD1  ILE  70          3HD1      ILE  70  -6.362  -0.451  -2.639
  578   2HD1  ILE  70          2HD1      ILE  70  -5.673  -1.928  -3.312
  579   3HD1  ILE  70          1HD1      ILE  70  -6.525  -0.794  -4.361
  580    H    GLU  71           H        GLU  71 -12.066  -2.192  -0.569
  581    HA   GLU  71           HA       GLU  71 -13.028   0.653  -0.578
  582   1HB   GLU  71          1HB       GLU  71 -14.370  -2.036  -0.213
  583   2HB   GLU  71          2HB       GLU  71 -15.178  -0.525   0.207
  584   1HG   GLU  71          1HG       GLU  71 -13.898  -0.747  -2.489
  585   2HG   GLU  71          2HG       GLU  71 -15.437  -1.568  -2.221
  586    H    ASP  72           H        ASP  72 -13.323   1.682   1.478
  587    HA   ASP  72           HA       ASP  72 -12.912   2.057   3.772
  588   1HB   ASP  72          1HB       ASP  72 -14.661   0.001   3.456
  589   2HB   ASP  72          2HB       ASP  72 -13.395  -0.813   4.374
  590    H    LEU  73           H        LEU  73 -11.686   0.688   5.797
  591    HA   LEU  73           HA       LEU  73  -9.082  -0.216   4.603
  592   1HB   LEU  73          1HB       LEU  73  -9.273   2.090   5.732
  593   2HB   LEU  73          2HB       LEU  73  -9.458   1.201   7.246
  594    HG   LEU  73           HG       LEU  73  -7.316  -0.049   6.591
  595   1HD1  LEU  73          2HD1      LEU  73  -7.638   1.101   4.183
  596   2HD1  LEU  73          1HD1      LEU  73  -6.614   2.324   4.934
  597   3HD1  LEU  73          3HD1      LEU  73  -6.049   0.658   4.808
  598   1HD2  LEU  73          3HD2      LEU  73  -7.536   1.847   8.283
  599   2HD2  LEU  73          2HD2      LEU  73  -5.931   1.639   7.580
  600   3HD2  LEU  73          1HD2      LEU  73  -6.984   2.929   7.006
  601    H    THR  74           H        THR  74 -11.305  -2.018   5.385
  602    HA   THR  74           HA       THR  74  -9.836  -3.571   7.462
  603    HB   THR  74           HB       THR  74 -12.360  -3.957   8.304
  604    HG1  THR  74           HG1      THR  74 -13.367  -2.610   6.893
  605   1HG2  THR  74          3HG2      THR  74 -10.446  -1.716   8.949
  606   2HG2  THR  74          2HG2      THR  74 -11.932  -1.960   9.869
  607   3HG2  THR  74          1HG2      THR  74 -10.702  -3.223   9.831
  608    H    GLU  75           H        GLU  75 -10.132  -3.974   4.537
  609    HA   GLU  75           HA       GLU  75 -11.563  -6.601   4.613
  610   1HB   GLU  75          1HB       GLU  75 -11.950  -4.197   2.915
  611   2HB   GLU  75          2HB       GLU  75 -11.952  -5.738   2.058
  612   1HG   GLU  75          1HG       GLU  75 -13.531  -6.408   4.134
  613   2HG   GLU  75          2HG       GLU  75 -13.885  -4.681   4.060
  614    H    LEU  76           H        LEU  76  -8.633  -5.929   4.840
  615    HA   LEU  76           HA       LEU  76  -7.698  -7.457   2.453
  616   1HB   LEU  76          1HB       LEU  76  -6.646  -4.843   3.578
  617   2HB   LEU  76          2HB       LEU  76  -5.706  -5.851   2.480
  618    HG   LEU  76           HG       LEU  76  -8.436  -4.660   1.888
  619   1HD1  LEU  76          2HD1      LEU  76  -6.062  -3.337   1.882
  620   2HD1  LEU  76          1HD1      LEU  76  -6.044  -4.008   0.250
  621   3HD1  LEU  76          3HD1      LEU  76  -7.376  -2.973   0.768
  622   1HD2  LEU  76          1HD2      LEU  76  -6.646  -6.584   0.427
  623   2HD2  LEU  76          3HD2      LEU  76  -8.400  -6.612   0.599
  624   3HD2  LEU  76          2HD2      LEU  76  -7.642  -5.458  -0.496
  625    H    GLU  77           H        GLU  77  -5.660  -8.643   2.904
  626    HA   GLU  77           HA       GLU  77  -5.473  -9.443   5.753
  627   1HB   GLU  77          1HB       GLU  77  -5.472 -11.074   3.867
  628   2HB   GLU  77          2HB       GLU  77  -3.959 -10.373   3.287
  629   1HG   GLU  77          1HG       GLU  77  -2.803 -11.035   5.308
  630   2HG   GLU  77          2HG       GLU  77  -4.313 -11.553   6.059
  631    H    GLY  78           H        GLY  78  -4.290  -7.916   7.008
  632   1HA   GLY  78          2HA       GLY  78  -1.739  -6.914   5.845
  633   2HA   GLY  78          1HA       GLY  78  -1.688  -7.777   7.374
  634    H    TRP  79           H        TRP  79  -4.359  -5.530   6.577
  635    HA   TRP  79           HA       TRP  79  -3.235  -3.169   7.720
  636   1HB   TRP  79          1HB       TRP  79  -5.520  -2.360   7.861
  637   2HB   TRP  79          2HB       TRP  79  -5.368  -3.329   6.402
  638    HD1  TRP  79           HD1      TRP  79  -7.023  -5.246   6.115
  639    HE1  TRP  79           HE1      TRP  79  -8.788  -6.385   7.606
  640    HE3  TRP  79           HE3      TRP  79  -5.992  -2.984  10.570
  641    HZ2  TRP  79           HZ2      TRP  79  -9.655  -6.335  10.333
  642    HZ3  TRP  79           HZ3      TRP  79  -7.305  -3.541  12.596
  643    HH2  TRP  79           HH2      TRP  79  -9.133  -5.211  12.483
  644    H    GLU  80           H        GLU  80  -4.765  -5.956   9.359
  645    HA   GLU  80           HA       GLU  80  -5.111  -4.836  11.959
  646   1HB   GLU  80          1HB       GLU  80  -5.732  -7.167  11.044
  647   2HB   GLU  80          2HB       GLU  80  -4.075  -7.633  11.430
  648   1HG   GLU  80          1HG       GLU  80  -4.387  -7.243  13.749
  649   2HG   GLU  80          2HG       GLU  80  -5.868  -6.325  13.477
  650    H    GLU  81           H        GLU  81  -2.125  -6.073  10.402
  651    HA   GLU  81           HA       GLU  81  -0.513  -5.877  12.837
  652   1HB   GLU  81          1HB       GLU  81   0.221  -6.031   9.892
  653   2HB   GLU  81          2HB       GLU  81   1.373  -6.201  11.216
  654   1HG   GLU  81          1HG       GLU  81  -0.400  -8.017  12.039
  655   2HG   GLU  81          2HG       GLU  81  -0.772  -8.075  10.316
  656    H    LEU  82           H        LEU  82  -1.221  -3.646  10.127
  657    HA   LEU  82           HA       LEU  82   0.812  -1.723  10.425
  658   1HB   LEU  82          1HB       LEU  82  -1.812  -1.856   9.257
  659   2HB   LEU  82          2HB       LEU  82  -1.692  -0.331  10.126
  660    HG   LEU  82           HG       LEU  82   0.725  -0.352   8.919
  661   1HD1  LEU  82          1HD1      LEU  82   0.101  -2.531   7.791
  662   2HD1  LEU  82          3HD1      LEU  82  -1.131  -1.635   6.902
  663   3HD1  LEU  82          2HD1      LEU  82   0.575  -1.238   6.689
  664   1HD2  LEU  82          3HD2      LEU  82  -1.931   0.567   7.780
  665   2HD2  LEU  82          2HD2      LEU  82  -0.829   1.503   8.790
  666   3HD2  LEU  82          1HD2      LEU  82  -0.366   1.073   7.143
  667    H    GLU  83           H        GLU  83   0.417   0.607  11.444
  668    HA   GLU  83           HA       GLU  83  -0.356   0.165  14.309
  669   1HB   GLU  83          1HB       GLU  83   1.591   1.900  12.821
  670   2HB   GLU  83          2HB       GLU  83   1.013   2.438  14.399
  671   1HG   GLU  83          1HG       GLU  83   1.831   0.459  15.473
  672   2HG   GLU  83          2HG       GLU  83   2.147  -0.329  13.927
  673    H    ASP  84           H        ASP  84  -1.478   2.029  15.414
  674    HA   ASP  84           HA       ASP  84  -3.811   2.911  14.021
  675   1HB   ASP  84          1HB       ASP  84  -2.380   3.860  16.509
  676   2HB   ASP  84          2HB       ASP  84  -3.882   4.612  15.973
  677    H    ASN  85           H        ASN  85  -0.842   4.795  14.803
  678    HA   ASN  85           HA       ASN  85  -1.666   7.191  13.446
  679   1HB   ASN  85          1HB       ASN  85   0.753   7.761  13.494
  680   2HB   ASN  85          2HB       ASN  85   0.225   7.092  15.036
  681   1HD2  ASN  85          2HD2      ASN  85   2.729   6.862  12.801
  682   2HD2  ASN  85          1HD2      ASN  85   3.238   5.280  13.143
  683    H    GLU  86           H        GLU  86   0.007   4.278  12.215
  684    HA   GLU  86           HA       GLU  86   0.443   5.413   9.552
  685   1HB   GLU  86          1HB       GLU  86   0.568   2.671  10.805
  686   2HB   GLU  86          2HB       GLU  86   0.690   2.843   9.054
  687   1HG   GLU  86          1HG       GLU  86   2.621   4.283   9.261
  688   2HG   GLU  86          2HG       GLU  86   2.435   4.356  11.014
  689    H    LYS  87           H        LYS  87  -2.035   3.299  11.042
  690    HA   LYS  87           HA       LYS  87  -3.578   2.780   8.687
  691   1HB   LYS  87          1HB       LYS  87  -3.869   1.674  10.912
  692   2HB   LYS  87          2HB       LYS  87  -4.541   3.177  11.544
  693   1HG   LYS  87          1HG       LYS  87  -6.191   2.981   9.518
  694   2HG   LYS  87          2HG       LYS  87  -5.717   1.282   9.529
  695   1HD   LYS  87          1HD       LYS  87  -6.553   0.937  11.709
  696   2HD   LYS  87          2HD       LYS  87  -6.592   2.665  12.061
  697   1HE   LYS  87          1HE       LYS  87  -8.313   2.786  10.091
  698   2HE   LYS  87          2HE       LYS  87  -8.496   1.044  10.379
  699   1HZ   LYS  87          3HZ       LYS  87  -8.851   1.506  12.727
  700   2HZ   LYS  87          2HZ       LYS  87  -8.706   3.175  12.442
  701   3HZ   LYS  87          1HZ       LYS  87 -10.010   2.309  11.782
  702    H    GLU  88           H        GLU  88  -3.542   5.611  10.872
  703    HA   GLU  88           HA       GLU  88  -5.899   6.891   9.788
  704   1HB   GLU  88          1HB       GLU  88  -4.732   7.489  11.933
  705   2HB   GLU  88          2HB       GLU  88  -3.407   8.163  10.984
  706   1HG   GLU  88          1HG       GLU  88  -4.692   9.944  10.202
  707   2HG   GLU  88          2HG       GLU  88  -6.213   9.082  10.439
  708    H    GLN  89           H        GLN  89  -2.456   6.928   8.774
  709    HA   GLN  89           HA       GLN  89  -2.756   9.046   6.819
  710   1HB   GLN  89          1HB       GLN  89  -0.651   7.733   7.890
  711   2HB   GLN  89          2HB       GLN  89  -0.781   6.856   6.365
  712   1HG   GLN  89          1HG       GLN  89   0.680   8.664   5.890
  713   2HG   GLN  89          2HG       GLN  89  -0.881   9.170   5.240
  714   1HE2  GLN  89          1HE2      GLN  89   1.307  10.982   6.211
  715   2HE2  GLN  89          2HE2      GLN  89   0.627  11.874   7.485
  716    H    ILE  90           H        ILE  90  -2.837   5.459   6.478
  717    HA   ILE  90           HA       ILE  90  -3.372   5.513   3.638
  718    HB   ILE  90           HB       ILE  90  -2.566   3.520   4.904
  719   1HG1  ILE  90          1HG1      ILE  90  -5.226   2.889   3.617
  720   2HG1  ILE  90          2HG1      ILE  90  -3.834   3.421   2.674
  721   1HG2  ILE  90          2HG2      ILE  90  -5.375   3.578   6.029
  722   2HG2  ILE  90          1HG2      ILE  90  -4.341   2.153   6.089
  723   3HG2  ILE  90          3HG2      ILE  90  -3.858   3.627   6.923
  724   1HD1  ILE  90          3HD1      ILE  90  -2.529   1.541   3.841
  725   2HD1  ILE  90          2HD1      ILE  90  -4.100   0.926   4.354
  726   3HD1  ILE  90          1HD1      ILE  90  -3.719   1.048   2.637
  727    H    THR  91           H        THR  91  -5.550   5.704   6.481
  728    HA   THR  91           HA       THR  91  -8.024   5.368   5.030
  729    HB   THR  91           HB       THR  91  -8.795   6.944   7.048
  730    HG1  THR  91           HG1      THR  91  -6.900   7.656   7.802
  731   1HG2  THR  91          3HG2      THR  91  -8.657   4.235   6.646
  732   2HG2  THR  91          2HG2      THR  91  -7.698   4.426   8.114
  733   3HG2  THR  91          1HG2      THR  91  -9.364   4.999   8.069
  734    H    GLN  92           H        GLN  92  -6.003   8.246   5.714
  735    HA   GLN  92           HA       GLN  92  -7.739  10.271   4.706
  736   1HB   GLN  92          1HB       GLN  92  -5.547  10.622   5.873
  737   2HB   GLN  92          2HB       GLN  92  -4.715  10.079   4.416
  738   1HG   GLN  92          1HG       GLN  92  -5.602  11.929   3.136
  739   2HG   GLN  92          2HG       GLN  92  -6.649  12.412   4.471
  740   1HE2  GLN  92          1HE2      GLN  92  -5.761  14.370   5.276
  741   2HE2  GLN  92          2HE2      GLN  92  -4.118  14.584   5.641
  742    H    HIS  93           H        HIS  93  -5.511   8.081   2.933
  743    HA   HIS  93           HA       HIS  93  -5.781   9.292   0.342
  744   1HB   HIS  93          1HB       HIS  93  -5.017   6.614   1.437
  745   2HB   HIS  93          2HB       HIS  93  -5.422   6.686  -0.278
  746    HD1  HIS  93           HD1      HIS  93  -3.569   7.390  -1.781
  747    HD2  HIS  93           HD2      HIS  93  -2.933   8.673   2.128
  748    HE1  HIS  93           HE1      HIS  93  -1.277   8.456  -1.742
  749    H    ILE  94           H        ILE  94  -7.608   6.487   1.723
  750    HA   ILE  94           HA       ILE  94  -9.454   6.289  -0.480
  751    HB   ILE  94           HB       ILE  94  -9.760   5.546   2.454
  752   1HG1  ILE  94          1HG1      ILE  94  -9.282   3.554   0.288
  753   2HG1  ILE  94          2HG1      ILE  94  -7.922   4.585   0.733
  754   1HG2  ILE  94          2HG2      ILE  94 -11.935   5.693   1.206
  755   2HG2  ILE  94          1HG2      ILE  94 -11.303   4.520   0.050
  756   3HG2  ILE  94          3HG2      ILE  94 -11.546   4.055   1.733
  757   1HD1  ILE  94          1HD1      ILE  94  -9.561   2.954   2.692
  758   2HD1  ILE  94          3HD1      ILE  94  -7.986   2.477   2.057
  759   3HD1  ILE  94          2HD1      ILE  94  -8.130   3.913   3.071
  760    H    ALA  95           H        ALA  95  -9.568   8.213   2.540
  761    HA   ALA  95           HA       ALA  95 -12.246   9.214   2.223
  762   1HB   ALA  95          3HB       ALA  95 -11.074  11.242   3.517
  763   2HB   ALA  95          1HB       ALA  95  -9.754  10.080   3.649
  764   3HB   ALA  95          2HB       ALA  95 -11.340   9.693   4.316
  765    H    ASP  96           H        ASP  96  -9.109  10.405   0.950
  766    HA   ASP  96           HA       ASP  96 -10.235  12.787  -0.300
  767   1HB   ASP  96          1HB       ASP  96  -7.697  11.180  -0.528
  768   2HB   ASP  96          2HB       ASP  96  -8.035  12.415  -1.741
  769    H    LEU  97           H        LEU  97  -9.512   9.468  -1.480
  770    HA   LEU  97           HA       LEU  97 -10.325   9.866  -4.210
  771   1HB   LEU  97          1HB       LEU  97  -9.141   7.863  -3.039
  772   2HB   LEU  97          2HB       LEU  97 -10.771   7.310  -2.656
  773    HG   LEU  97           HG       LEU  97 -11.310   7.522  -5.125
  774   1HD1  LEU  97          2HD1      LEU  97  -8.310   7.930  -5.207
  775   2HD1  LEU  97          1HD1      LEU  97  -9.258   7.445  -6.614
  776   3HD1  LEU  97          3HD1      LEU  97  -9.556   9.004  -5.844
  777   1HD2  LEU  97          2HD2      LEU  97  -9.442   5.567  -3.871
  778   2HD2  LEU  97          1HD2      LEU  97 -11.025   5.300  -4.601
  779   3HD2  LEU  97          3HD2      LEU  97  -9.603   5.494  -5.626
  780    H    SER  98           H        SER  98 -12.237   9.135  -1.262
  781    HA   SER  98           HA       SER  98 -14.730   9.019  -2.905
  782   1HB   SER  98          1HB       SER  98 -14.013   8.386  -0.029
  783   2HB   SER  98          2HB       SER  98 -15.680   8.388  -0.601
  784    HG   SER  98           HG       SER  98 -14.887   6.324  -0.832
  785    H    SER  99           H        SER  99 -13.678  11.603  -2.965
  786    HA   SER  99           HA       SER  99 -15.337  13.089  -0.951
  787   1HB   SER  99          1HB       SER  99 -13.040  13.565  -0.578
  788   2HB   SER  99          2HB       SER  99 -12.685  13.613  -2.302
  789    HG   SER  99           HG       SER  99 -12.839  15.707  -1.359
  790    H    LYS 100           H        LYS 100 -15.514  15.563  -2.105
  791    HA   LYS 100           HA       LYS 100 -16.513  15.112  -4.895
  792   1HB   LYS 100          1HB       LYS 100 -17.887  16.092  -2.421
  793   2HB   LYS 100          2HB       LYS 100 -18.356  16.805  -3.965
  794   1HG   LYS 100          1HG       LYS 100 -19.285  14.857  -4.741
  795   2HG   LYS 100          2HG       LYS 100 -18.118  13.841  -3.893
  796   1HD   LYS 100          1HD       LYS 100 -19.361  13.784  -1.963
  797   2HD   LYS 100          2HD       LYS 100 -19.994  15.413  -2.200
  798   1HE   LYS 100          1HE       LYS 100 -21.820  13.811  -2.503
  799   2HE   LYS 100          2HE       LYS 100 -21.415  14.500  -4.087
  800   1HZ   LYS 100          2HZ       LYS 100 -20.185  12.020  -3.016
  801   2HZ   LYS 100          1HZ       LYS 100 -21.535  12.018  -4.047
  802   3HZ   LYS 100          3HZ       LYS 100 -20.054  12.639  -4.593
  803    H    ALA 101           H        ALA 101 -13.982  16.357  -4.119
  804    HA   ALA 101           HA       ALA 101 -14.489  19.107  -5.163
  805   1HB   ALA 101          1HB       ALA 101 -12.573  18.629  -2.892
  806   2HB   ALA 101          2HB       ALA 101 -14.295  18.814  -2.557
  807   3HB   ALA 101          3HB       ALA 101 -13.403  20.118  -3.343
  808    H    ALA 102           H        ALA 102 -13.005  19.560  -6.811
  809    HA   ALA 102           HA       ALA 102 -10.346  18.203  -6.734
  810   1HB   ALA 102          3HB       ALA 102 -12.556  17.969  -8.748
  811   2HB   ALA 102          1HB       ALA 102 -11.475  16.720  -8.132
  812   3HB   ALA 102          2HB       ALA 102 -10.888  17.890  -9.314
  813    H    GLY 103           H        GLY 103 -10.914  20.985  -6.168
  814   1HA   GLY 103          2HA       GLY 103  -9.575  22.240  -8.523
  815   2HA   GLY 103          1HA       GLY 103  -9.455  22.825  -6.863
  816    H    THR 104           H        THR 104 -11.909  22.290  -9.462
  817    HA   THR 104           HA       THR 104 -13.286  24.770  -8.476
  818    HB   THR 104           HB       THR 104 -13.967  24.892 -10.944
  819    HG1  THR 104           HG1      THR 104 -12.906  23.579 -12.332
  820   1HG2  THR 104          2HG2      THR 104 -12.162  26.271  -9.960
  821   2HG2  THR 104          1HG2      THR 104 -11.009  24.978 -10.292
  822   3HG2  THR 104          3HG2      THR 104 -11.800  25.819 -11.625
  823    HA   PRO 105           HA       PRO 105 -16.916  22.305  -8.003
  824   1HB   PRO 105          1HB       PRO 105 -18.899  24.097  -8.594
  825   2HB   PRO 105          2HB       PRO 105 -17.965  24.153  -7.085
  826   1HG   PRO 105          1HG       PRO 105 -17.672  25.788  -9.554
  827   2HG   PRO 105          2HG       PRO 105 -17.511  26.265  -7.857
  828   1HD   PRO 105          1HD       PRO 105 -15.386  25.796  -9.502
  829   2HD   PRO 105          2HD       PRO 105 -15.331  25.588  -7.737
  830    H    LYS 106           H        LYS 106 -17.565  20.721  -9.479
  831    HA   LYS 106           HA       LYS 106 -18.204  21.615 -12.276
  832   1HB   LYS 106          1HB       LYS 106 -16.636  19.368 -11.085
  833   2HB   LYS 106          2HB       LYS 106 -17.537  19.027 -12.563
  834   1HG   LYS 106          1HG       LYS 106 -16.466  21.220 -13.459
  835   2HG   LYS 106          2HG       LYS 106 -15.324  21.024 -12.129
  836   1HD   LYS 106          1HD       LYS 106 -14.377  19.128 -13.035
  837   2HD   LYS 106          2HD       LYS 106 -15.870  18.637 -13.835
  838   1HE   LYS 106          1HE       LYS 106 -14.646  19.359 -15.683
  839   2HE   LYS 106          2HE       LYS 106 -15.415  20.891 -15.224
  840   1HZ   LYS 106          2HZ       LYS 106 -12.779  19.934 -14.235
  841   2HZ   LYS 106          1HZ       LYS 106 -12.997  21.120 -15.434
  842   3HZ   LYS 106          3HZ       LYS 106 -13.517  21.415 -13.846
  843    H    LYS 107           H        LYS 107 -20.214  21.543 -10.163
  844    HA   LYS 107           HA       LYS 107 -22.341  20.629  -9.711
  845   1HB   LYS 107          1HB       LYS 107 -22.051  21.021 -12.354
  846   2HB   LYS 107          2HB       LYS 107 -22.282  19.272 -12.370
  847   1HG   LYS 107          1HG       LYS 107 -24.440  19.409 -11.527
  848   2HG   LYS 107          2HG       LYS 107 -24.138  20.949 -10.721
  849   1HD   LYS 107          1HD       LYS 107 -24.099  22.105 -12.880
  850   2HD   LYS 107          2HD       LYS 107 -24.319  20.571 -13.725
  851   1HE   LYS 107          1HE       LYS 107 -26.513  21.502 -13.611
  852   2HE   LYS 107          2HE       LYS 107 -26.475  20.329 -12.280
  853   1HZ   LYS 107          1HZ       LYS 107 -25.734  23.190 -11.996
  854   2HZ   LYS 107          3HZ       LYS 107 -27.262  22.571 -11.603
  855   3HZ   LYS 107          2HZ       LYS 107 -25.890  22.047 -10.750
  856    H    LYS 108           H        LYS 108 -21.005  19.089  -8.175
  857    HA   LYS 108           HA       LYS 108 -21.312  16.254  -9.119
  858   1HB   LYS 108          1HB       LYS 108 -19.205  17.779  -7.691
  859   2HB   LYS 108          2HB       LYS 108 -19.527  16.164  -7.056
  860   1HG   LYS 108          1HG       LYS 108 -19.440  15.469  -9.597
  861   2HG   LYS 108          2HG       LYS 108 -18.521  16.966  -9.768
  862   1HD   LYS 108          1HD       LYS 108 -17.747  15.187  -7.512
  863   2HD   LYS 108          2HD       LYS 108 -17.358  14.615  -9.136
  864   1HE   LYS 108          1HE       LYS 108 -16.726  17.471  -8.608
  865   2HE   LYS 108          2HE       LYS 108 -15.726  16.282  -7.749
  866   1HZ   LYS 108          2HZ       LYS 108 -16.337  16.210 -10.658
  867   2HZ   LYS 108          1HZ       LYS 108 -14.873  16.757  -9.991
  868   3HZ   LYS 108          3HZ       LYS 108 -15.329  15.133  -9.815
  869    H    ALA 109           H        ALA 109 -23.610  16.392  -8.250
  870    HA   ALA 109           HA       ALA 109 -23.638  16.145  -5.258
  871   1HB   ALA 109          3HB       ALA 109 -25.204  17.774  -7.185
  872   2HB   ALA 109          2HB       ALA 109 -26.138  17.014  -5.896
  873   3HB   ALA 109          1HB       ALA 109 -24.809  18.104  -5.497
  874    H    VAL 110           H        VAL 110 -23.983  13.929  -4.901
  875    HA   VAL 110           HA       VAL 110 -25.997  12.554  -6.654
  876    HB   VAL 110           HB       VAL 110 -23.640  11.484  -5.057
  877   1HG1  VAL 110          3HG1      VAL 110 -25.593   9.911  -5.325
  878   2HG1  VAL 110          2HG1      VAL 110 -25.403  10.058  -7.073
  879   3HG1  VAL 110          1HG1      VAL 110 -24.113   9.350  -6.101
  880   1HG2  VAL 110          1HG2      VAL 110 -24.068  11.976  -8.020
  881   2HG2  VAL 110          3HG2      VAL 110 -22.857  12.727  -6.980
  882   3HG2  VAL 110          2HG2      VAL 110 -22.741  11.012  -7.373
  883    H    VAL 111           H        VAL 111 -27.921  12.844  -5.400
  884    HA   VAL 111           HA       VAL 111 -27.807  11.749  -2.605
  885    HB   VAL 111           HB       VAL 111 -29.454  14.037  -3.745
  886   1HG1  VAL 111          2HG1      VAL 111 -29.346  12.715  -1.032
  887   2HG1  VAL 111          1HG1      VAL 111 -29.899  14.378  -1.222
  888   3HG1  VAL 111          3HG1      VAL 111 -30.762  13.064  -2.024
  889   1HG2  VAL 111          3HG2      VAL 111 -26.956  13.890  -2.061
  890   2HG2  VAL 111          2HG2      VAL 111 -27.269  14.884  -3.484
  891   3HG2  VAL 111          1HG2      VAL 111 -28.035  15.281  -1.944
  892    H    GLN 112           H        GLN 112 -29.530  10.306  -2.057
  893    HA   GLN 112           HA       GLN 112 -31.387   9.619  -4.316
  894   1HB   GLN 112          1HB       GLN 112 -30.239   7.971  -2.035
  895   2HB   GLN 112          2HB       GLN 112 -31.364   7.358  -3.249
  896   1HG   GLN 112          1HG       GLN 112 -28.761   8.669  -4.034
  897   2HG   GLN 112          2HG       GLN 112 -28.852   6.946  -3.666
  898   1HE2  GLN 112          1HE2      GLN 112 -30.059   5.552  -5.175
  899   2HE2  GLN 112          2HE2      GLN 112 -30.553   6.128  -6.693
  900    H    ALA 113           H        ALA 113 -33.034  11.197  -3.563
  901    HA   ALA 113           HA       ALA 113 -34.377  10.340  -1.017
  902   1HB   ALA 113          3HB       ALA 113 -33.322  12.472  -0.679
  903   2HB   ALA 113          1HB       ALA 113 -35.035  12.810  -0.929
  904   3HB   ALA 113          2HB       ALA 113 -33.883  13.067  -2.241
  905    H    LYS 114           H        LYS 114 -36.649  10.034  -1.180
  906    HA   LYS 114           HA       LYS 114 -37.844  10.535  -3.889
  907   1HB   LYS 114          1HB       LYS 114 -37.413   8.158  -2.745
  908   2HB   LYS 114          2HB       LYS 114 -38.935   8.540  -1.942
  909   1HG   LYS 114          1HG       LYS 114 -39.961   8.975  -4.177
  910   2HG   LYS 114          2HG       LYS 114 -38.452   8.461  -4.935
  911   1HD   LYS 114          1HD       LYS 114 -39.821   6.521  -4.944
  912   2HD   LYS 114          2HD       LYS 114 -38.716   6.284  -3.590
  913   1HE   LYS 114          1HE       LYS 114 -40.523   7.323  -2.101
  914   2HE   LYS 114          2HE       LYS 114 -41.620   7.141  -3.484
  915   1HZ   LYS 114          2HZ       LYS 114 -39.945   4.949  -2.383
  916   2HZ   LYS 114          1HZ       LYS 114 -41.585   5.173  -1.999
  917   3HZ   LYS 114          3HZ       LYS 114 -41.130   4.817  -3.593
  918    H    LEU 115           H        LEU 115 -39.057  12.452  -3.631
  919    HA   LEU 115           HA       LEU 115 -40.923  12.543  -1.279
  920   1HB   LEU 115          1HB       LEU 115 -38.785  14.147  -1.655
  921   2HB   LEU 115          2HB       LEU 115 -39.976  15.042  -2.600
  922    HG   LEU 115           HG       LEU 115 -40.504  14.100   0.226
  923   1HD1  LEU 115          1HD1      LEU 115 -39.325  16.693  -0.794
  924   2HD1  LEU 115          3HD1      LEU 115 -40.104  16.561   0.783
  925   3HD1  LEU 115          2HD1      LEU 115 -38.661  15.610   0.430
  926   1HD2  LEU 115          3HD2      LEU 115 -41.819  16.068  -1.667
  927   2HD2  LEU 115          2HD2      LEU 115 -42.518  14.593  -0.999
  928   3HD2  LEU 115          1HD2      LEU 115 -42.208  15.976   0.051
  929    H    THR 116           H        THR 116 -42.946  12.069  -2.212
  930    HA   THR 116           HA       THR 116 -43.642  13.535  -4.740
  931    HB   THR 116           HB       THR 116 -44.774  10.904  -3.758
  932    HG1  THR 116           HG1      THR 116 -43.223   9.899  -4.949
  933   1HG2  THR 116          3HG2      THR 116 -46.033  12.173  -5.490
  934   2HG2  THR 116          2HG2      THR 116 -44.600  12.145  -6.517
  935   3HG2  THR 116          1HG2      THR 116 -45.415  10.637  -6.098
  936    H    THR 117           H        THR 117 -45.764  14.511  -4.795
  937    HA   THR 117           HA       THR 117 -47.198  14.542  -2.157
  938    HB   THR 117           HB       THR 117 -47.915  16.858  -3.119
  939    HG1  THR 117           HG1      THR 117 -47.183  16.649  -5.186
  940   1HG2  THR 117          1HG2      THR 117 -46.216  16.327  -1.264
  941   2HG2  THR 117          3HG2      THR 117 -44.977  16.562  -2.498
  942   3HG2  THR 117          2HG2      THR 117 -46.056  17.889  -2.068

  No H/Q in entry =         942
  Start of MODEL   10
    1    H1   MET   1           H        MET   1 -12.031 -21.549  -7.157
    2    H2   MET   1           HN2      MET   1 -13.720 -21.712  -7.056
    3    HA   MET   1           HA       MET   1 -13.000 -20.108  -8.795
    4   1HB   MET   1          1HB       MET   1 -15.201 -20.167  -7.564
    5   2HB   MET   1          2HB       MET   1 -14.541 -18.982  -6.437
    6   1HG   MET   1          1HG       MET   1 -14.440 -17.298  -8.063
    7   2HG   MET   1          2HG       MET   1 -14.462 -18.452  -9.397
    8   1HE   MET   1          3HE       MET   1 -15.719 -17.005 -10.447
    9   2HE   MET   1          2HE       MET   1 -17.228 -17.825 -10.836
   10   3HE   MET   1          1HE       MET   1 -17.267 -16.280  -9.990
   11    H    ALA   2           H        ALA   2 -11.168 -18.842  -9.169
   12    HA   ALA   2           HA       ALA   2 -10.274 -17.022  -6.951
   13   1HB   ALA   2          2HB       ALA   2  -8.705 -18.829  -7.204
   14   2HB   ALA   2          3HB       ALA   2  -7.980 -17.427  -7.993
   15   3HB   ALA   2          1HB       ALA   2  -8.739 -18.691  -8.962
   16    H    GLU   3           H        GLU   3 -10.200 -14.843  -7.558
   17    HA   GLU   3           HA       GLU   3 -10.157 -14.232 -10.498
   18   1HB   GLU   3          1HB       GLU   3 -11.855 -13.199  -8.224
   19   2HB   GLU   3          2HB       GLU   3 -11.637 -12.249  -9.694
   20   1HG   GLU   3          1HG       GLU   3 -12.476 -15.140  -9.837
   21   2HG   GLU   3          2HG       GLU   3 -13.666 -13.864  -9.585
   22    H    GLN   4           H        GLN   4  -9.960 -12.368  -7.396
   23    HA   GLN   4           HA       GLN   4  -7.212 -11.498  -8.103
   24   1HB   GLN   4          1HB       GLN   4  -7.914  -9.110  -8.033
   25   2HB   GLN   4          2HB       GLN   4  -8.711  -9.988  -9.337
   26   1HG   GLN   4          1HG       GLN   4 -10.669 -10.348  -7.768
   27   2HG   GLN   4          2HG       GLN   4  -9.886  -9.232  -6.648
   28   1HE2  GLN   4          1HE2      GLN   4 -10.934  -7.209  -6.846
   29   2HE2  GLN   4          2HE2      GLN   4 -11.352  -6.493  -8.326
   30    H    ARG   5           H        ARG   5  -6.010 -11.164  -6.204
   31    HA   ARG   5           HA       ARG   5  -7.561 -10.863  -3.650
   32   1HB   ARG   5          1HB       ARG   5  -5.436 -12.729  -4.565
   33   2HB   ARG   5          2HB       ARG   5  -5.272 -12.127  -2.915
   34   1HG   ARG   5          1HG       ARG   5  -7.582 -12.849  -2.421
   35   2HG   ARG   5          2HG       ARG   5  -7.741 -13.459  -4.069
   36   1HD   ARG   5          1HD       ARG   5  -5.849 -15.025  -3.659
   37   2HD   ARG   5          2HD       ARG   5  -5.764 -14.448  -1.982
   38    HE   ARG   5           HE       ARG   5  -8.237 -15.694  -3.130
   39   1HH1  ARG   5          1HH1      ARG   5  -7.240 -14.222  -0.362
   40   2HH1  ARG   5          2HH1      ARG   5  -7.510 -15.564   0.699
   41   1HH2  ARG   5          1HH2      ARG   5  -8.042 -17.829  -1.873
   42   2HH2  ARG   5          2HH2      ARG   5  -7.963 -17.607  -0.156
   43    H    PHE   6           H        PHE   6  -6.696  -9.336  -2.147
   44    HA   PHE   6           HA       PHE   6  -4.321  -7.772  -3.121
   45   1HB   PHE   6          1HB       PHE   6  -7.033  -7.100  -2.189
   46   2HB   PHE   6          2HB       PHE   6  -5.771  -6.154  -1.406
   47    HD1  PHE   6           HD1      PHE   6  -7.556  -6.815  -4.513
   48    HD2  PHE   6           HD2      PHE   6  -4.193  -4.774  -2.784
   49    HE1  PHE   6           HE1      PHE   6  -7.386  -5.383  -6.531
   50    HE2  PHE   6           HE2      PHE   6  -4.032  -3.339  -4.794
   51    HZ   PHE   6           HZ       PHE   6  -5.623  -3.643  -6.671
   52    H    CYS   7           H        CYS   7  -2.782  -7.117  -1.494
   53    HA   CYS   7           HA       CYS   7  -3.195  -8.238   1.253
   54   1HB   CYS   7          1HB       CYS   7  -1.001  -8.672  -0.762
   55   2HB   CYS   7          2HB       CYS   7  -0.620  -8.744   0.959
   56    HG   CYS   7           HG       CYS   7  -1.781 -10.932   1.124
   57    H    VAL   8           H        VAL   8  -1.625  -7.148   2.848
   58    HA   VAL   8           HA       VAL   8  -0.640  -4.506   1.868
   59    HB   VAL   8           HB       VAL   8  -2.868  -4.105   2.717
   60   1HG1  VAL   8          2HG1      VAL   8  -3.096  -6.185   4.047
   61   2HG1  VAL   8          1HG1      VAL   8  -2.021  -5.505   5.265
   62   3HG1  VAL   8          3HG1      VAL   8  -3.583  -4.758   4.953
   63   1HG2  VAL   8          3HG2      VAL   8  -0.520  -3.016   3.987
   64   2HG2  VAL   8          2HG2      VAL   8  -2.058  -2.225   3.650
   65   3HG2  VAL   8          1HG2      VAL   8  -1.830  -3.095   5.168
   66    H    ASP   9           H        ASP   9   1.542  -4.580   2.337
   67    HA   ASP   9           HA       ASP   9   2.337  -5.644   5.032
   68   1HB   ASP   9          1HB       ASP   9   2.864  -7.076   3.001
   69   2HB   ASP   9          2HB       ASP   9   3.904  -5.767   2.437
   70    H    TYR  10           H        TYR  10   3.864  -4.338   6.167
   71    HA   TYR  10           HA       TYR  10   4.380  -1.658   4.943
   72   1HB   TYR  10          1HB       TYR  10   4.535  -2.748   7.773
   73   2HB   TYR  10          2HB       TYR  10   4.951  -1.091   7.340
   74    HD1  TYR  10           HD1      TYR  10   2.207  -3.541   7.654
   75    HD2  TYR  10           HD2      TYR  10   3.241   0.506   6.647
   76    HE1  TYR  10           HE1      TYR  10  -0.184  -2.904   7.758
   77    HE2  TYR  10           HE2      TYR  10   0.845   1.141   6.754
   78    HH   TYR  10           HH       TYR  10  -1.467  -0.355   6.423
   79    H    ALA  11           H        ALA  11   6.501  -0.983   4.472
   80    HA   ALA  11           HA       ALA  11   8.587  -2.863   4.058
   81   1HB   ALA  11          2HB       ALA  11   8.769   0.115   4.636
   82   2HB   ALA  11          1HB       ALA  11  10.050  -0.849   3.902
   83   3HB   ALA  11          3HB       ALA  11   8.522  -0.618   3.051
   84    H    LYS  12           H        LYS  12  10.156  -3.788   5.399
   85    HA   LYS  12           HA       LYS  12  10.289  -2.780   8.225
   86   1HB   LYS  12          1HB       LYS  12   9.195  -4.985   7.905
   87   2HB   LYS  12          2HB       LYS  12  10.643  -5.577   7.092
   88   1HG   LYS  12          1HG       LYS  12  11.937  -5.000   9.194
   89   2HG   LYS  12          2HG       LYS  12  10.386  -4.704   9.979
   90   1HD   LYS  12          1HD       LYS  12   9.828  -6.928  10.030
   91   2HD   LYS  12          2HD       LYS  12  10.656  -7.277   8.511
   92   1HE   LYS  12          1HE       LYS  12  12.776  -7.424   9.562
   93   2HE   LYS  12          2HE       LYS  12  12.203  -6.589  11.020
   94   1HZ   LYS  12          1HZ       LYS  12  11.110  -9.177  10.058
   95   2HZ   LYS  12          3HZ       LYS  12  12.306  -9.051  11.253
   96   3HZ   LYS  12          2HZ       LYS  12  10.762  -8.400  11.528
   97    H    ARG  13           H        ARG  13  12.241  -4.747   5.883
   98    HA   ARG  13           HA       ARG  13  14.597  -3.027   6.484
   99   1HB   ARG  13          1HB       ARG  13  14.089  -5.803   7.370
  100   2HB   ARG  13          2HB       ARG  13  15.676  -5.542   6.648
  101   1HG   ARG  13          1HG       ARG  13  15.884  -3.509   8.187
  102   2HG   ARG  13          2HG       ARG  13  14.469  -4.133   9.036
  103   1HD   ARG  13          1HD       ARG  13  16.614  -6.125   8.539
  104   2HD   ARG  13          2HD       ARG  13  17.010  -4.842   9.699
  105    HE   ARG  13           HE       ARG  13  14.933  -6.885  10.050
  106   1HH1  ARG  13          1HH1      ARG  13  13.275  -4.665  10.646
  107   2HH1  ARG  13          2HH1      ARG  13  13.697  -4.202  12.261
  108   1HH2  ARG  13          1HH2      ARG  13  16.716  -5.906  12.246
  109   2HH2  ARG  13          2HH2      ARG  13  15.644  -4.905  13.167
  110    H    GLY  14           H        GLY  14  12.997  -3.351   4.026
  111   1HA   GLY  14          2HA       GLY  14  13.609  -5.041   2.046
  112   2HA   GLY  14          1HA       GLY  14  15.184  -4.273   2.244
  113    H    THR  15           H        THR  15  14.912  -3.420   0.000
  114    HA   THR  15           HA       THR  15  12.828  -1.296  -0.265
  115    HB   THR  15           HB       THR  15  14.640   0.241  -1.029
  116    HG1  THR  15           HG1      THR  15  16.195  -1.147  -1.700
  117   1HG2  THR  15          1HG2      THR  15  13.884   0.125   1.374
  118   2HG2  THR  15          3HG2      THR  15  15.253  -0.942   1.689
  119   3HG2  THR  15          2HG2      THR  15  15.531   0.718   1.161
  120    H    ALA  16           H        ALA  16  12.066  -1.090  -2.428
  121    HA   ALA  16           HA       ALA  16  13.638  -2.176  -4.666
  122   1HB   ALA  16          1HB       ALA  16  12.150  -4.015  -5.141
  123   2HB   ALA  16          2HB       ALA  16  10.995  -3.471  -3.923
  124   3HB   ALA  16          3HB       ALA  16  12.556  -4.129  -3.430
  125    H    GLY  17           H        GLY  17  12.776  -1.557  -6.745
  126   1HA   GLY  17          2HA       GLY  17  11.486  -0.267  -8.225
  127   2HA   GLY  17          1HA       GLY  17  11.316   0.860  -6.876
  128    H    CYS  18           H        CYS  18   9.135   1.281  -6.577
  129    HA   CYS  18           HA       CYS  18   7.352  -0.836  -5.799
  130   1HB   CYS  18          1HB       CYS  18   5.676   0.912  -5.693
  131   2HB   CYS  18          2HB       CYS  18   7.202   1.552  -5.116
  132    H    LYS  19           H        LYS  19   6.141  -2.229  -6.992
  133    HA   LYS  19           HA       LYS  19   6.266  -2.145  -9.922
  134   1HB   LYS  19          1HB       LYS  19   5.010  -3.910  -7.826
  135   2HB   LYS  19          2HB       LYS  19   4.546  -4.104  -9.517
  136   1HG   LYS  19          1HG       LYS  19   6.377  -5.610  -9.134
  137   2HG   LYS  19          2HG       LYS  19   7.020  -4.258 -10.066
  138   1HD   LYS  19          1HD       LYS  19   7.962  -3.247  -8.087
  139   2HD   LYS  19          2HD       LYS  19   7.154  -4.418  -7.044
  140   1HE   LYS  19          1HE       LYS  19   9.043  -5.376  -9.193
  141   2HE   LYS  19          2HE       LYS  19   9.669  -4.828  -7.624
  142   1HZ   LYS  19          3HZ       LYS  19   7.498  -6.826  -7.985
  143   2HZ   LYS  19          2HZ       LYS  19   9.111  -7.208  -7.615
  144   3HZ   LYS  19          1HZ       LYS  19   8.168  -6.329  -6.509
  145    H    LYS  20           H        LYS  20   4.326  -1.955 -11.338
  146    HA   LYS  20           HA       LYS  20   2.291  -0.979 -11.995
  147   1HB   LYS  20          1HB       LYS  20   1.859  -2.174  -9.472
  148   2HB   LYS  20          2HB       LYS  20   1.115  -0.579  -9.367
  149   1HG   LYS  20          1HG       LYS  20  -0.564  -2.064 -10.230
  150   2HG   LYS  20          2HG       LYS  20  -0.011  -1.083 -11.590
  151   1HD   LYS  20          1HD       LYS  20   1.697  -3.017 -11.979
  152   2HD   LYS  20          2HD       LYS  20   0.601  -3.965 -10.973
  153   1HE   LYS  20          1HE       LYS  20  -0.234  -4.351 -13.149
  154   2HE   LYS  20          2HE       LYS  20  -1.257  -3.014 -12.585
  155   1HZ   LYS  20          2HZ       LYS  20   0.313  -1.451 -13.561
  156   2HZ   LYS  20          1HZ       LYS  20   1.268  -2.736 -14.131
  157   3HZ   LYS  20          3HZ       LYS  20  -0.295  -2.504 -14.748
  158    H    CYS  21           H        CYS  21   4.705   0.705 -10.702
  159    HA   CYS  21           HA       CYS  21   3.587   3.255 -11.313
  160   1HB   CYS  21          1HB       CYS  21   3.623   4.197  -8.979
  161   2HB   CYS  21          2HB       CYS  21   2.319   3.072  -9.298
  162    H    LYS  22           H        LYS  22   5.222   4.937 -11.328
  163    HA   LYS  22           HA       LYS  22   7.974   3.858 -11.338
  164   1HB   LYS  22          1HB       LYS  22   6.766   5.527 -12.976
  165   2HB   LYS  22          2HB       LYS  22   7.271   6.744 -11.802
  166   1HG   LYS  22          1HG       LYS  22   9.610   5.956 -12.006
  167   2HG   LYS  22          2HG       LYS  22   9.097   4.775 -13.211
  168   1HD   LYS  22          1HD       LYS  22   8.567   6.433 -14.795
  169   2HD   LYS  22          2HD       LYS  22   8.481   7.701 -13.572
  170   1HE   LYS  22          1HE       LYS  22  10.957   7.418 -13.189
  171   2HE   LYS  22          2HE       LYS  22  10.987   6.310 -14.576
  172   1HZ   LYS  22          1HZ       LYS  22   9.952   9.096 -14.620
  173   2HZ   LYS  22          3HZ       LYS  22  11.437   8.594 -15.268
  174   3HZ   LYS  22          2HZ       LYS  22   9.983   8.027 -15.940
  175    H    GLU  23           H        GLU  23   8.413   3.525  -9.050
  176    HA   GLU  23           HA       GLU  23   9.551   5.859  -7.740
  177   1HB   GLU  23          1HB       GLU  23   6.872   5.676  -7.411
  178   2HB   GLU  23          2HB       GLU  23   7.403   4.681  -6.065
  179   1HG   GLU  23          1HG       GLU  23   8.231   6.422  -4.906
  180   2HG   GLU  23          2HG       GLU  23   8.925   7.174  -6.344
  181    H    LYS  24           H        LYS  24   9.981   5.029  -5.189
  182    HA   LYS  24           HA       LYS  24  10.974   2.187  -5.396
  183   1HB   LYS  24          1HB       LYS  24  12.298   4.694  -4.294
  184   2HB   LYS  24          2HB       LYS  24  12.956   3.067  -4.118
  185   1HG   LYS  24          1HG       LYS  24  14.042   3.605  -6.059
  186   2HG   LYS  24          2HG       LYS  24  12.521   3.096  -6.790
  187   1HD   LYS  24          1HD       LYS  24  11.749   5.339  -6.997
  188   2HD   LYS  24          2HD       LYS  24  13.005   5.949  -5.921
  189   1HE   LYS  24          1HE       LYS  24  13.777   4.536  -8.471
  190   2HE   LYS  24          2HE       LYS  24  13.343   6.256  -8.494
  191   1HZ   LYS  24          3HZ       LYS  24  15.348   5.012  -6.685
  192   2HZ   LYS  24          2HZ       LYS  24  15.714   5.950  -8.054
  193   3HZ   LYS  24          1HZ       LYS  24  14.929   6.656  -6.722
  194    H    ILE  25           H        ILE  25  10.985   1.042  -3.336
  195    HA   ILE  25           HA       ILE  25   9.163   2.276  -1.300
  196    HB   ILE  25           HB       ILE  25   9.967  -0.606  -1.847
  197   1HG1  ILE  25          1HG1      ILE  25   7.298   0.746  -2.330
  198   2HG1  ILE  25          2HG1      ILE  25   8.537   0.616  -3.579
  199   1HG2  ILE  25          2HG2      ILE  25   9.303  -0.013   0.540
  200   2HG2  ILE  25          1HG2      ILE  25   7.718   0.424  -0.100
  201   3HG2  ILE  25          3HG2      ILE  25   8.299  -1.235  -0.240
  202   1HD1  ILE  25          1HD1      ILE  25   7.541  -1.798  -2.061
  203   2HD1  ILE  25          3HD1      ILE  25   6.759  -1.234  -3.537
  204   3HD1  ILE  25          2HD1      ILE  25   8.442  -1.761  -3.576
  205    H    VAL  26           H        VAL  26  10.217   3.096   0.503
  206    HA   VAL  26           HA       VAL  26  12.807   1.807   1.321
  207    HB   VAL  26           HB       VAL  26  11.748   4.631   1.707
  208   1HG1  VAL  26          3HG1      VAL  26  14.375   3.306   2.431
  209   2HG1  VAL  26          2HG1      VAL  26  14.157   5.055   2.379
  210   3HG1  VAL  26          1HG1      VAL  26  13.230   4.085   3.524
  211   1HG2  VAL  26          2HG2      VAL  26  13.660   3.368  -0.256
  212   2HG2  VAL  26          1HG2      VAL  26  12.309   4.455  -0.580
  213   3HG2  VAL  26          3HG2      VAL  26  13.786   5.079   0.154
  214    H    LYS  27           H        LYS  27  13.174   1.689   3.684
  215    HA   LYS  27           HA       LYS  27  11.093   0.548   5.207
  216   1HB   LYS  27          1HB       LYS  27  13.561   0.587   5.733
  217   2HB   LYS  27          2HB       LYS  27  13.364   2.246   6.301
  218   1HG   LYS  27          1HG       LYS  27  11.801   1.528   8.019
  219   2HG   LYS  27          2HG       LYS  27  11.819  -0.122   7.396
  220   1HD   LYS  27          1HD       LYS  27  13.878  -0.588   8.296
  221   2HD   LYS  27          2HD       LYS  27  14.458   1.064   8.088
  222   1HE   LYS  27          1HE       LYS  27  12.645   1.616   9.938
  223   2HE   LYS  27          2HE       LYS  27  12.847  -0.101  10.338
  224   1HZ   LYS  27          3HZ       LYS  27  15.286   0.288  10.276
  225   2HZ   LYS  27          2HZ       LYS  27  14.983   1.953  10.131
  226   3HZ   LYS  27          1HZ       LYS  27  14.500   1.118  11.530
  227    H    GLY  28           H        GLY  28   9.303   1.368   6.327
  228   1HA   GLY  28          2HA       GLY  28   9.269   4.282   6.940
  229   2HA   GLY  28          1HA       GLY  28   8.261   3.070   7.721
  230    H    VAL  29           H        VAL  29   7.927   2.115   4.592
  231    HA   VAL  29           HA       VAL  29   5.701   4.053   4.102
  232    HB   VAL  29           HB       VAL  29   7.753   4.221   2.613
  233   1HG1  VAL  29          1HG1      VAL  29   8.142   1.713   2.515
  234   2HG1  VAL  29          3HG1      VAL  29   6.746   1.611   1.445
  235   3HG1  VAL  29          2HG1      VAL  29   8.170   2.526   0.953
  236   1HG2  VAL  29          1HG2      VAL  29   5.277   4.783   2.021
  237   2HG2  VAL  29          3HG2      VAL  29   6.460   4.703   0.717
  238   3HG2  VAL  29          2HG2      VAL  29   5.367   3.348   1.000
  239    H    CYS  30           H        CYS  30   3.671   3.116   3.747
  240    HA   CYS  30           HA       CYS  30   3.489   0.166   4.003
  241   1HB   CYS  30          1HB       CYS  30   1.110   0.583   4.333
  242   2HB   CYS  30          2HB       CYS  30   2.018   1.759   5.275
  243    HG   CYS  30           HG       CYS  30   1.223   3.621   3.768
  244    H    ARG  31           H        ARG  31   2.773  -1.253   2.340
  245    HA   ARG  31           HA       ARG  31   2.060   0.000  -0.284
  246   1HB   ARG  31          1HB       ARG  31   3.657  -1.587  -1.358
  247   2HB   ARG  31          2HB       ARG  31   4.470  -0.470  -0.262
  248   1HG   ARG  31          1HG       ARG  31   4.550  -2.165   1.484
  249   2HG   ARG  31          2HG       ARG  31   3.599  -3.275   0.498
  250   1HD   ARG  31          1HD       ARG  31   5.432  -3.949  -0.667
  251   2HD   ARG  31          2HD       ARG  31   5.983  -2.280  -0.907
  252    HE   ARG  31           HE       ARG  31   6.791  -2.394   1.513
  253   1HH1  ARG  31          1HH1      ARG  31   5.484  -5.329   1.295
  254   2HH1  ARG  31          2HH1      ARG  31   6.940  -6.255   1.445
  255   1HH2  ARG  31          1HH2      ARG  31   9.035  -3.533   0.976
  256   2HH2  ARG  31          2HH2      ARG  31   8.950  -5.239   1.263
  257    H    ILE  32           H        ILE  32   0.562  -1.263  -1.515
  258    HA   ILE  32           HA       ILE  32  -0.533  -3.656  -0.079
  259    HB   ILE  32           HB       ILE  32  -1.841  -2.091  -2.329
  260   1HG1  ILE  32          1HG1      ILE  32  -2.430  -1.581   0.592
  261   2HG1  ILE  32          2HG1      ILE  32  -1.184  -0.652  -0.236
  262   1HG2  ILE  32          2HG2      ILE  32  -2.659  -4.379  -1.557
  263   2HG2  ILE  32          1HG2      ILE  32  -3.103  -3.598  -0.041
  264   3HG2  ILE  32          3HG2      ILE  32  -3.852  -3.081  -1.552
  265   1HD1  ILE  32          3HD1      ILE  32  -4.007  -0.925  -1.289
  266   2HD1  ILE  32          2HD1      ILE  32  -3.485   0.409  -0.260
  267   3HD1  ILE  32          1HD1      ILE  32  -2.755   0.184  -1.850
  268    H    GLY  33           H        GLY  33  -0.149  -5.664  -1.047
  269   1HA   GLY  33          2HA       GLY  33   1.122  -6.945  -2.688
  270   2HA   GLY  33          1HA       GLY  33   0.853  -5.646  -3.851
  271    H    LYS  34           H        LYS  34  -0.378  -6.614  -5.487
  272    HA   LYS  34           HA       LYS  34  -2.988  -7.819  -4.629
  273   1HB   LYS  34          1HB       LYS  34  -3.034  -5.854  -6.126
  274   2HB   LYS  34          2HB       LYS  34  -2.014  -6.703  -7.287
  275   1HG   LYS  34          1HG       LYS  34  -3.744  -8.391  -7.629
  276   2HG   LYS  34          2HG       LYS  34  -4.750  -7.651  -6.384
  277   1HD   LYS  34          1HD       LYS  34  -5.354  -5.880  -7.726
  278   2HD   LYS  34          2HD       LYS  34  -3.827  -5.893  -8.609
  279   1HE   LYS  34          1HE       LYS  34  -4.529  -7.581 -10.067
  280   2HE   LYS  34          2HE       LYS  34  -5.728  -8.208  -8.919
  281   1HZ   LYS  34          1HZ       LYS  34  -6.926  -6.081  -9.134
  282   2HZ   LYS  34          3HZ       LYS  34  -5.838  -5.603 -10.344
  283   3HZ   LYS  34          2HZ       LYS  34  -6.858  -6.938 -10.599
  284    H    VAL  35           H        VAL  35  -3.084 -10.072  -4.732
  285    HA   VAL  35           HA       VAL  35  -0.984 -11.510  -6.278
  286    HB   VAL  35           HB       VAL  35  -3.187 -12.503  -4.432
  287   1HG1  VAL  35          2HG1      VAL  35  -2.341 -14.229  -5.986
  288   2HG1  VAL  35          1HG1      VAL  35  -0.691 -13.872  -5.478
  289   3HG1  VAL  35          3HG1      VAL  35  -1.836 -14.562  -4.330
  290   1HG2  VAL  35          2HG2      VAL  35  -0.421 -11.468  -3.995
  291   2HG2  VAL  35          1HG2      VAL  35  -1.841 -11.346  -2.956
  292   3HG2  VAL  35          3HG2      VAL  35  -0.928 -12.854  -3.030
  293    H    VAL  36           H        VAL  36  -1.458 -11.864  -8.450
  294    HA   VAL  36           HA       VAL  36  -4.280 -12.623  -9.136
  295    HB   VAL  36           HB       VAL  36  -2.157 -11.160 -10.748
  296   1HG1  VAL  36          2HG1      VAL  36  -3.667 -12.556 -12.139
  297   2HG1  VAL  36          1HG1      VAL  36  -5.059 -11.759 -11.406
  298   3HG1  VAL  36          3HG1      VAL  36  -3.939 -10.833 -12.407
  299   1HG2  VAL  36          2HG2      VAL  36  -3.395  -9.989  -8.775
  300   2HG2  VAL  36          1HG2      VAL  36  -3.365  -9.176 -10.339
  301   3HG2  VAL  36          3HG2      VAL  36  -4.808 -10.052  -9.828
  302    HA   PRO  37           HA       PRO  37  -2.342 -16.392 -10.489
  303   1HB   PRO  37          1HB       PRO  37  -4.376 -17.421 -11.999
  304   2HB   PRO  37          2HB       PRO  37  -4.398 -17.422 -10.225
  305   1HG   PRO  37          1HG       PRO  37  -5.795 -15.625 -12.133
  306   2HG   PRO  37          2HG       PRO  37  -6.340 -16.265 -10.577
  307   1HD   PRO  37          1HD       PRO  37  -5.400 -13.714 -10.955
  308   2HD   PRO  37          2HD       PRO  37  -5.369 -14.574  -9.399
  309    H    ASN  38           H        ASN  38  -0.877 -16.667 -12.192
  310    HA   ASN  38           HA       ASN  38  -1.413 -15.161 -14.729
  311   1HB   ASN  38          1HB       ASN  38   0.948 -15.925 -13.107
  312   2HB   ASN  38          2HB       ASN  38   1.181 -16.031 -14.853
  313   1HD2  ASN  38          2HD2      ASN  38   0.609 -13.768 -12.172
  314   2HD2  ASN  38          1HD2      ASN  38   0.811 -12.361 -13.098
  315    HA   PRO  39           HA       PRO  39  -1.972 -18.952 -16.910
  316   1HB   PRO  39          1HB       PRO  39  -0.959 -18.339 -19.376
  317   2HB   PRO  39          2HB       PRO  39  -2.508 -17.706 -18.786
  318   1HG   PRO  39          1HG       PRO  39   0.151 -16.382 -18.914
  319   2HG   PRO  39          2HG       PRO  39  -1.460 -15.712 -19.210
  320   1HD   PRO  39          1HD       PRO  39  -0.062 -15.329 -16.895
  321   2HD   PRO  39          2HD       PRO  39  -1.835 -15.292 -16.996
  322    H    PHE  40           H        PHE  40  -0.623 -20.652 -16.210
  323    HA   PHE  40           HA       PHE  40   1.289 -22.018 -16.036
  324   1HB   PHE  40          1HB       PHE  40   0.787 -21.521 -18.625
  325   2HB   PHE  40          2HB       PHE  40   2.379 -20.767 -18.521
  326    HD1  PHE  40           HD1      PHE  40   3.998 -22.314 -16.838
  327    HD2  PHE  40           HD2      PHE  40   0.875 -23.697 -19.443
  328    HE1  PHE  40           HE1      PHE  40   5.065 -24.550 -16.929
  329    HE2  PHE  40           HE2      PHE  40   1.943 -25.934 -19.534
  330    HZ   PHE  40           HZ       PHE  40   4.037 -26.360 -18.277
  331    H    SER  41           H        SER  41   2.429 -21.136 -14.222
  332    HA   SER  41           HA       SER  41   4.396 -18.952 -14.839
  333   1HB   SER  41          1HB       SER  41   3.415 -19.865 -12.127
  334   2HB   SER  41          2HB       SER  41   4.164 -18.326 -12.546
  335    HG   SER  41           HG       SER  41   2.330 -17.692 -13.528
  336    H    GLU  42           H        GLU  42   6.588 -19.204 -13.897
  337    HA   GLU  42           HA       GLU  42   7.359 -22.087 -13.650
  338   1HB   GLU  42          1HB       GLU  42   8.406 -20.607 -15.379
  339   2HB   GLU  42          2HB       GLU  42   9.050 -19.602 -14.081
  340   1HG   GLU  42          1HG       GLU  42  10.087 -21.781 -13.161
  341   2HG   GLU  42          2HG       GLU  42   9.743 -22.461 -14.752
  342    H    SER  43           H        SER  43   7.921 -18.913 -12.008
  343    HA   SER  43           HA       SER  43   9.212 -20.305  -9.725
  344   1HB   SER  43          1HB       SER  43  10.235 -18.252 -10.211
  345   2HB   SER  43          2HB       SER  43   8.702 -17.462 -10.571
  346    HG   SER  43           HG       SER  43   9.809 -18.168  -8.064
  347    H    GLY  44           H        GLY  44   6.208 -18.382 -10.301
  348   1HA   GLY  44          2HA       GLY  44   5.021 -18.071  -7.921
  349   2HA   GLY  44          1HA       GLY  44   4.964 -19.829  -8.030
  350    H    GLY  45           H        GLY  45   2.778 -20.250  -8.444
  351   1HA   GLY  45          2HA       GLY  45   0.761 -20.283  -9.632
  352   2HA   GLY  45          1HA       GLY  45   1.695 -19.761 -11.034
  353    H    ASP  46           H        ASP  46   1.289 -17.977  -7.942
  354    HA   ASP  46           HA       ASP  46  -0.343 -15.938  -9.422
  355   1HB   ASP  46          1HB       ASP  46   0.048 -16.487  -6.458
  356   2HB   ASP  46          2HB       ASP  46  -1.034 -15.269  -7.130
  357    H    MET  47           H        MET  47   0.345 -13.714  -9.376
  358    HA   MET  47           HA       MET  47   3.147 -13.296  -8.377
  359   1HB   MET  47          1HB       MET  47   2.353 -13.266 -10.917
  360   2HB   MET  47          2HB       MET  47   1.863 -11.622 -10.503
  361   1HG   MET  47          1HG       MET  47   4.137 -11.122  -9.719
  362   2HG   MET  47          2HG       MET  47   4.637 -12.773 -10.083
  363   1HE   MET  47          1HE       MET  47   5.065 -13.752 -11.830
  364   2HE   MET  47          3HE       MET  47   4.020 -13.564 -13.245
  365   3HE   MET  47          2HE       MET  47   5.694 -13.020 -13.304
  366    H    LYS  48           H        LYS  48   3.604 -11.242  -7.347
  367    HA   LYS  48           HA       LYS  48   1.198  -9.585  -6.654
  368   1HB   LYS  48          1HB       LYS  48   2.138  -9.468  -4.350
  369   2HB   LYS  48          2HB       LYS  48   1.758 -11.125  -4.818
  370   1HG   LYS  48          1HG       LYS  48   4.074 -11.611  -5.270
  371   2HG   LYS  48          2HG       LYS  48   4.521  -9.913  -5.098
  372   1HD   LYS  48          1HD       LYS  48   4.206  -9.934  -2.769
  373   2HD   LYS  48          2HD       LYS  48   3.205 -11.385  -2.825
  374   1HE   LYS  48          1HE       LYS  48   5.526 -12.346  -3.901
  375   2HE   LYS  48          2HE       LYS  48   6.154 -11.147  -2.752
  376   1HZ   LYS  48          1HZ       LYS  48   4.708 -12.074  -1.049
  377   2HZ   LYS  48          3HZ       LYS  48   4.128 -13.235  -2.140
  378   3HZ   LYS  48          2HZ       LYS  48   5.755 -13.268  -1.652
  379    H    GLU  49           H        GLU  49   1.614  -7.319  -6.611
  380    HA   GLU  49           HA       GLU  49   4.423  -6.498  -7.296
  381   1HB   GLU  49          1HB       GLU  49   1.694  -5.746  -8.298
  382   2HB   GLU  49          2HB       GLU  49   2.984  -4.547  -8.371
  383   1HG   GLU  49          1HG       GLU  49   4.390  -6.098  -9.647
  384   2HG   GLU  49          2HG       GLU  49   3.147  -7.344  -9.530
  385    H    TRP  50           H        TRP  50   5.320  -4.916  -5.919
  386    HA   TRP  50           HA       TRP  50   3.621  -3.976  -3.660
  387   1HB   TRP  50          1HB       TRP  50   6.571  -3.643  -4.299
  388   2HB   TRP  50          2HB       TRP  50   5.805  -3.129  -2.800
  389    HD1  TRP  50           HD1      TRP  50   7.941  -5.675  -3.774
  390    HE1  TRP  50           HE1      TRP  50   7.566  -7.889  -2.523
  391    HE3  TRP  50           HE3      TRP  50   3.235  -4.858  -1.915
  392    HZ2  TRP  50           HZ2      TRP  50   5.538  -9.156  -0.942
  393    HZ3  TRP  50           HZ3      TRP  50   2.118  -6.584  -0.536
  394    HH2  TRP  50           HH2      TRP  50   3.262  -8.732  -0.051
  395    H    TYR  51           H        TYR  51   2.462  -2.062  -4.016
  396    HA   TYR  51           HA       TYR  51   3.950   0.114  -5.425
  397   1HB   TYR  51          1HB       TYR  51   1.441   0.868  -5.962
  398   2HB   TYR  51          2HB       TYR  51   2.329  -0.198  -7.024
  399    HD1  TYR  51           HD1      TYR  51   1.757  -2.541  -7.232
  400    HD2  TYR  51           HD2      TYR  51  -0.320   0.023  -4.488
  401    HE1  TYR  51           HE1      TYR  51  -0.022  -4.247  -6.994
  402    HE2  TYR  51           HE2      TYR  51  -2.110  -1.678  -4.254
  403    HH   TYR  51           HH       TYR  51  -2.016  -4.496  -4.649
  404    H    HIS  52           H        HIS  52   2.916   2.343  -4.843
  405    HA   HIS  52           HA       HIS  52   2.758   2.455  -1.881
  406   1HB   HIS  52          1HB       HIS  52   2.813   4.547  -4.081
  407   2HB   HIS  52          2HB       HIS  52   2.873   4.920  -2.359
  408    HD2  HIS  52           HD2      HIS  52   5.278   4.014  -1.028
  409    HE1  HIS  52           HE1      HIS  52   7.471   3.481  -4.601
  410    HE2  HIS  52           HE2      HIS  52   7.597   3.623  -2.098
  411    H    ILE  53           H        ILE  53   1.061   4.489  -1.272
  412    HA   ILE  53           HA       ILE  53  -1.595   3.363  -1.958
  413    HB   ILE  53           HB       ILE  53  -0.969   5.819  -0.281
  414   1HG1  ILE  53          1HG1      ILE  53   0.337   3.902   0.612
  415   2HG1  ILE  53          2HG1      ILE  53  -0.984   4.322   1.694
  416   1HG2  ILE  53          1HG2      ILE  53  -3.330   5.344  -1.030
  417   2HG2  ILE  53          3HG2      ILE  53  -3.251   3.828  -0.138
  418   3HG2  ILE  53          2HG2      ILE  53  -3.125   5.359   0.721
  419   1HD1  ILE  53          3HD1      ILE  53  -1.108   2.124  -0.385
  420   2HD1  ILE  53          2HD1      ILE  53  -0.789   1.864   1.332
  421   3HD1  ILE  53          1HD1      ILE  53  -2.345   2.513   0.810
  422    H    LYS  54           H        LYS  54   0.043   6.577  -2.177
  423    HA   LYS  54           HA       LYS  54  -1.961   7.820  -3.825
  424   1HB   LYS  54          1HB       LYS  54   0.088   8.834  -2.583
  425   2HB   LYS  54          2HB       LYS  54   1.004   8.387  -4.023
  426   1HG   LYS  54          1HG       LYS  54  -0.496   9.721  -5.426
  427   2HG   LYS  54          2HG       LYS  54  -1.481  10.126  -4.020
  428   1HD   LYS  54          1HD       LYS  54   0.001  11.988  -4.420
  429   2HD   LYS  54          2HD       LYS  54   0.581  11.151  -2.979
  430   1HE   LYS  54          1HE       LYS  54   2.397  10.163  -4.137
  431   2HE   LYS  54          2HE       LYS  54   1.665  10.480  -5.723
  432   1HZ   LYS  54          3HZ       LYS  54   1.829  12.856  -5.278
  433   2HZ   LYS  54          2HZ       LYS  54   2.568  12.542  -3.780
  434   3HZ   LYS  54          1HZ       LYS  54   3.362  12.131  -5.225
  435    H    CYS  55           H        CYS  55   0.888   5.817  -4.656
  436    HA   CYS  55           HA       CYS  55   0.764   6.152  -7.510
  437   1HB   CYS  55          1HB       CYS  55   1.746   3.986  -5.648
  438   2HB   CYS  55          2HB       CYS  55   1.783   3.731  -7.384
  439    H    MET  56           H        MET  56  -0.652   3.587  -5.419
  440    HA   MET  56           HA       MET  56  -2.145   2.344  -7.585
  441   1HB   MET  56          1HB       MET  56  -1.526   1.212  -5.455
  442   2HB   MET  56          2HB       MET  56  -2.625   2.280  -4.585
  443   1HG   MET  56          1HG       MET  56  -3.890   0.310  -4.956
  444   2HG   MET  56          2HG       MET  56  -4.442   1.427  -6.204
  445   1HE   MET  56          3HE       MET  56  -4.773   0.975  -8.235
  446   2HE   MET  56          2HE       MET  56  -4.223  -0.364  -9.240
  447   3HE   MET  56          1HE       MET  56  -5.336  -0.671  -7.910
  448    H    PHE  57           H        PHE  57  -3.042   4.685  -5.016
  449    HA   PHE  57           HA       PHE  57  -5.805   4.907  -5.831
  450   1HB   PHE  57          1HB       PHE  57  -3.889   6.516  -4.180
  451   2HB   PHE  57          2HB       PHE  57  -5.407   7.272  -4.662
  452    HD1  PHE  57           HD1      PHE  57  -4.130   4.031  -3.255
  453    HD2  PHE  57           HD2      PHE  57  -7.300   6.927  -3.335
  454    HE1  PHE  57           HE1      PHE  57  -5.323   2.768  -1.488
  455    HE2  PHE  57           HE2      PHE  57  -8.496   5.665  -1.567
  456    HZ   PHE  57           HZ       PHE  57  -7.508   3.585  -0.644
  457    H    GLU  58           H        GLU  58  -2.818   6.435  -7.051
  458    HA   GLU  58           HA       GLU  58  -4.027   8.572  -8.539
  459   1HB   GLU  58          1HB       GLU  58  -1.507   6.955  -8.706
  460   2HB   GLU  58          2HB       GLU  58  -1.927   7.963 -10.091
  461   1HG   GLU  58          1HG       GLU  58  -1.937   9.059  -7.278
  462   2HG   GLU  58          2HG       GLU  58  -0.473   9.046  -8.261
  463    H    LYS  59           H        LYS  59  -3.510   5.121  -9.374
  464    HA   LYS  59           HA       LYS  59  -4.518   5.337 -12.088
  465   1HB   LYS  59          1HB       LYS  59  -4.250   3.068 -10.096
  466   2HB   LYS  59          2HB       LYS  59  -4.898   2.807 -11.715
  467   1HG   LYS  59          1HG       LYS  59  -2.207   4.081 -11.150
  468   2HG   LYS  59          2HG       LYS  59  -2.431   2.378 -11.551
  469   1HD   LYS  59          1HD       LYS  59  -3.823   3.475 -13.578
  470   2HD   LYS  59          2HD       LYS  59  -2.674   4.782 -13.290
  471   1HE   LYS  59          1HE       LYS  59  -1.457   3.462 -14.789
  472   2HE   LYS  59          2HE       LYS  59  -0.926   2.762 -13.246
  473   1HZ   LYS  59          1HZ       LYS  59  -2.742   1.164 -13.389
  474   2HZ   LYS  59          3HZ       LYS  59  -3.220   1.813 -14.882
  475   3HZ   LYS  59          2HZ       LYS  59  -1.718   1.031 -14.740
  476    H    LEU  60           H        LEU  60  -6.089   4.622  -8.944
  477    HA   LEU  60           HA       LEU  60  -8.711   4.006  -9.922
  478   1HB   LEU  60          1HB       LEU  60  -7.530   5.091  -7.387
  479   2HB   LEU  60          2HB       LEU  60  -9.278   5.213  -7.586
  480    HG   LEU  60           HG       LEU  60  -9.351   2.767  -8.084
  481   1HD1  LEU  60          2HD1      LEU  60  -6.429   2.891  -7.272
  482   2HD1  LEU  60          1HD1      LEU  60  -7.346   1.415  -7.572
  483   3HD1  LEU  60          3HD1      LEU  60  -7.028   2.540  -8.893
  484   1HD2  LEU  60          2HD2      LEU  60  -8.410   3.929  -5.503
  485   2HD2  LEU  60          1HD2      LEU  60  -9.906   3.068  -5.867
  486   3HD2  LEU  60          3HD2      LEU  60  -8.404   2.170  -5.640
  487    H    GLU  61           H        GLU  61  -7.198   7.179  -9.152
  488    HA   GLU  61           HA       GLU  61  -9.496   8.823  -9.654
  489   1HB   GLU  61          1HB       GLU  61  -7.007   9.313  -8.800
  490   2HB   GLU  61          2HB       GLU  61  -6.766   9.733 -10.496
  491   1HG   GLU  61          1HG       GLU  61  -8.505  11.392 -10.417
  492   2HG   GLU  61          2HG       GLU  61  -9.027  10.852  -8.822
  493    H    ARG  62           H        ARG  62  -7.106   7.387 -11.893
  494    HA   ARG  62           HA       ARG  62  -8.596   8.580 -14.202
  495   1HB   ARG  62          1HB       ARG  62  -5.848   7.344 -13.843
  496   2HB   ARG  62          2HB       ARG  62  -6.503   7.776 -15.426
  497   1HG   ARG  62          1HG       ARG  62  -6.485  10.066 -14.959
  498   2HG   ARG  62          2HG       ARG  62  -6.506   9.810 -13.214
  499   1HD   ARG  62          1HD       ARG  62  -4.194   9.052 -13.235
  500   2HD   ARG  62          2HD       ARG  62  -4.156   9.107 -15.009
  501    HE   ARG  62           HE       ARG  62  -4.627  11.596 -14.772
  502   1HH1  ARG  62          1HH1      ARG  62  -4.999  12.704 -12.431
  503   2HH1  ARG  62          2HH1      ARG  62  -3.504  12.764 -11.560
  504   1HH2  ARG  62          1HH2      ARG  62  -1.942  10.392 -13.549
  505   2HH2  ARG  62          2HH2      ARG  62  -1.773  11.455 -12.192
  506    H    ALA  63           H        ALA  63  -9.570   6.166 -12.592
  507    HA   ALA  63           HA       ALA  63  -9.402   4.098 -14.759
  508   1HB   ALA  63          1HB       ALA  63  -9.955   2.552 -12.810
  509   2HB   ALA  63          2HB       ALA  63  -9.738   3.945 -11.750
  510   3HB   ALA  63          3HB       ALA  63  -8.383   3.346 -12.706
  511    H    ARG  64           H        ARG  64 -11.487   2.694 -14.828
  512    HA   ARG  64           HA       ARG  64 -13.793   4.366 -15.265
  513   1HB   ARG  64          1HB       ARG  64 -13.255   2.047 -16.225
  514   2HB   ARG  64          2HB       ARG  64 -13.834   1.388 -14.694
  515   1HG   ARG  64          1HG       ARG  64 -16.028   2.023 -15.089
  516   2HG   ARG  64          2HG       ARG  64 -15.561   3.360 -16.140
  517   1HD   ARG  64          1HD       ARG  64 -14.621   1.339 -17.642
  518   2HD   ARG  64          2HD       ARG  64 -15.926   0.475 -16.806
  519    HE   ARG  64           HE       ARG  64 -17.468   2.297 -17.584
  520   1HH1  ARG  64          1HH1      ARG  64 -15.436   4.284 -18.467
  521   2HH1  ARG  64          2HH1      ARG  64 -15.408   4.053 -20.183
  522   1HH2  ARG  64          1HH2      ARG  64 -16.983   0.967 -20.061
  523   2HH2  ARG  64          2HH2      ARG  64 -16.283   2.175 -21.086
  524    H    ALA  65           H        ALA  65 -15.792   4.515 -14.003
  525    HA   ALA  65           HA       ALA  65 -15.308   4.401 -11.079
  526   1HB   ALA  65          2HB       ALA  65 -16.556   6.200 -12.595
  527   2HB   ALA  65          3HB       ALA  65 -17.099   5.882 -10.947
  528   3HB   ALA  65          1HB       ALA  65 -17.940   5.146 -12.310
  529    H    THR  66           H        THR  66 -17.342   2.706 -13.497
  530    HA   THR  66           HA       THR  66 -19.136   1.324 -11.810
  531    HB   THR  66           HB       THR  66 -17.831  -0.244 -13.986
  532    HG1  THR  66           HG1      THR  66 -18.527   1.136 -15.555
  533   1HG2  THR  66          1HG2      THR  66 -20.544   0.318 -12.904
  534   2HG2  THR  66          3HG2      THR  66 -20.434  -0.039 -14.627
  535   3HG2  THR  66          2HG2      THR  66 -19.842  -1.206 -13.445
  536    H    THR  67           H        THR  67 -15.681   0.557 -12.422
  537    HA   THR  67           HA       THR  67 -15.910  -1.679 -10.433
  538    HB   THR  67           HB       THR  67 -13.578  -1.223 -12.277
  539    HG1  THR  67           HG1      THR  67 -14.675  -2.105 -13.942
  540   1HG2  THR  67          1HG2      THR  67 -13.686  -3.037 -10.495
  541   2HG2  THR  67          3HG2      THR  67 -14.978  -3.771 -11.446
  542   3HG2  THR  67          2HG2      THR  67 -13.362  -3.601 -12.135
  543    H    LYS  68           H        LYS  68 -15.247  -0.974  -8.392
  544    HA   LYS  68           HA       LYS  68 -12.949   0.956  -8.277
  545   1HB   LYS  68          1HB       LYS  68 -15.498   1.293  -7.400
  546   2HB   LYS  68          2HB       LYS  68 -14.772   0.575  -5.962
  547   1HG   LYS  68          1HG       LYS  68 -12.898   2.292  -6.217
  548   2HG   LYS  68          2HG       LYS  68 -13.927   3.096  -7.403
  549   1HD   LYS  68          1HD       LYS  68 -14.790   2.451  -4.569
  550   2HD   LYS  68          2HD       LYS  68 -14.171   4.021  -5.080
  551   1HE   LYS  68          1HE       LYS  68 -16.372   4.492  -5.506
  552   2HE   LYS  68          2HE       LYS  68 -16.119   3.533  -6.978
  553   1HZ   LYS  68          3HZ       LYS  68 -16.824   2.333  -4.357
  554   2HZ   LYS  68          2HZ       LYS  68 -17.988   2.752  -5.522
  555   3HZ   LYS  68          1HZ       LYS  68 -16.816   1.573  -5.874
  556    H    LYS  69           H        LYS  69 -11.213   0.427  -6.828
  557    HA   LYS  69           HA       LYS  69 -11.349  -2.331  -5.651
  558   1HB   LYS  69          1HB       LYS  69  -9.186  -0.651  -6.913
  559   2HB   LYS  69          2HB       LYS  69  -8.765  -1.994  -5.848
  560   1HG   LYS  69          1HG       LYS  69  -8.831  -3.101  -7.882
  561   2HG   LYS  69          2HG       LYS  69 -10.507  -3.300  -7.369
  562   1HD   LYS  69          1HD       LYS  69 -11.306  -1.815  -8.926
  563   2HD   LYS  69          2HD       LYS  69  -9.859  -0.809  -8.860
  564   1HE   LYS  69          1HE       LYS  69  -9.613  -3.577  -9.996
  565   2HE   LYS  69          2HE       LYS  69 -10.323  -2.297 -11.002
  566   1HZ   LYS  69          3HZ       LYS  69  -7.758  -2.059  -9.517
  567   2HZ   LYS  69          2HZ       LYS  69  -7.881  -2.381 -11.181
  568   3HZ   LYS  69          1HZ       LYS  69  -8.431  -0.900 -10.557
  569    H    ILE  70           H        ILE  70 -10.369  -2.613  -3.501
  570    HA   ILE  70           HA       ILE  70  -9.982  -1.959  -1.274
  571    HB   ILE  70           HB       ILE  70  -8.778   0.414  -2.742
  572   1HG1  ILE  70          1HG1      ILE  70  -7.488  -2.165  -1.793
  573   2HG1  ILE  70          2HG1      ILE  70  -7.943  -1.837  -3.465
  574   1HG2  ILE  70          2HG2      ILE  70  -8.335  -0.690   0.049
  575   2HG2  ILE  70          1HG2      ILE  70  -7.321   0.540  -0.706
  576   3HG2  ILE  70          3HG2      ILE  70  -9.017   0.882  -0.363
  577   1HD1  ILE  70          1HD1      ILE  70  -6.227   0.155  -2.026
  578   2HD1  ILE  70          3HD1      ILE  70  -5.484  -1.328  -2.626
  579   3HD1  ILE  70          2HD1      ILE  70  -6.290  -0.229  -3.746
  580    H    GLU  71           H        GLU  71 -12.080  -1.559  -0.406
  581    HA   GLU  71           HA       GLU  71 -13.197   1.198  -0.804
  582   1HB   GLU  71          1HB       GLU  71 -14.290  -1.542  -0.302
  583   2HB   GLU  71          2HB       GLU  71 -15.193  -0.177   0.357
  584   1HG   GLU  71          1HG       GLU  71 -14.281  -0.280  -2.525
  585   2HG   GLU  71          2HG       GLU  71 -15.848  -0.901  -2.002
  586    H    ASP  72           H        ASP  72 -13.276   2.584   1.003
  587    HA   ASP  72           HA       ASP  72 -12.879   3.328   3.208
  588   1HB   ASP  72          1HB       ASP  72 -14.774   1.356   3.195
  589   2HB   ASP  72          2HB       ASP  72 -13.600   0.676   4.322
  590    H    LEU  73           H        LEU  73 -11.905   1.961   5.505
  591    HA   LEU  73           HA       LEU  73  -9.166   1.196   4.561
  592   1HB   LEU  73          1HB       LEU  73  -9.403   3.138   6.076
  593   2HB   LEU  73          2HB       LEU  73 -10.220   2.116   7.260
  594    HG   LEU  73           HG       LEU  73  -8.172   0.684   7.371
  595   1HD1  LEU  73          1HD1      LEU  73  -7.135   2.820   5.498
  596   2HD1  LEU  73          3HD1      LEU  73  -6.069   1.765   6.425
  597   3HD1  LEU  73          2HD1      LEU  73  -7.171   1.078   5.232
  598   1HD2  LEU  73          1HD2      LEU  73  -8.680   3.013   8.666
  599   2HD2  LEU  73          3HD2      LEU  73  -7.255   2.025   8.988
  600   3HD2  LEU  73          2HD2      LEU  73  -7.138   3.417   7.912
  601    H    THR  74           H        THR  74 -10.220  -1.035   4.050
  602    HA   THR  74           HA       THR  74  -9.639  -2.881   6.245
  603    HB   THR  74           HB       THR  74 -12.402  -3.391   5.508
  604    HG1  THR  74           HG1      THR  74 -12.733  -1.263   5.192
  605   1HG2  THR  74          1HG2      THR  74 -10.892  -2.751   8.036
  606   2HG2  THR  74          3HG2      THR  74 -12.640  -2.982   8.044
  607   3HG2  THR  74          2HG2      THR  74 -11.580  -4.293   7.528
  608    H    GLU  75           H        GLU  75 -11.179  -5.130   5.251
  609    HA   GLU  75           HA       GLU  75 -11.003  -6.800   3.603
  610   1HB   GLU  75          1HB       GLU  75 -11.120  -4.262   1.940
  611   2HB   GLU  75          2HB       GLU  75 -11.267  -5.881   1.258
  612   1HG   GLU  75          1HG       GLU  75 -13.015  -5.244   3.583
  613   2HG   GLU  75          2HG       GLU  75 -13.408  -4.460   2.052
  614    H    LEU  76           H        LEU  76  -8.497  -5.903   4.801
  615    HA   LEU  76           HA       LEU  76  -6.644  -6.584   2.562
  616   1HB   LEU  76          1HB       LEU  76  -7.010  -4.018   3.781
  617   2HB   LEU  76          2HB       LEU  76  -5.449  -4.634   4.315
  618    HG   LEU  76           HG       LEU  76  -4.825  -5.071   1.955
  619   1HD1  LEU  76          2HD1      LEU  76  -7.606  -4.000   1.494
  620   2HD1  LEU  76          1HD1      LEU  76  -6.367  -3.860   0.247
  621   3HD1  LEU  76          3HD1      LEU  76  -6.860  -5.452   0.826
  622   1HD2  LEU  76          1HD2      LEU  76  -4.523  -2.803   3.189
  623   2HD2  LEU  76          3HD2      LEU  76  -4.315  -2.826   1.437
  624   3HD2  LEU  76          2HD2      LEU  76  -5.819  -2.229   2.138
  625    H    GLU  77           H        GLU  77  -4.706  -7.707   3.343
  626    HA   GLU  77           HA       GLU  77  -5.058  -8.816   6.100
  627   1HB   GLU  77          1HB       GLU  77  -4.896 -10.267   4.025
  628   2HB   GLU  77          2HB       GLU  77  -3.223  -9.729   3.865
  629   1HG   GLU  77          1HG       GLU  77  -2.626 -10.693   5.986
  630   2HG   GLU  77          2HG       GLU  77  -4.316 -11.017   6.378
  631    H    GLY  78           H        GLY  78  -3.976  -7.436   7.568
  632   1HA   GLY  78          2HA       GLY  78  -1.260  -6.488   6.806
  633   2HA   GLY  78          1HA       GLY  78  -1.441  -7.443   8.275
  634    H    TRP  79           H        TRP  79  -3.744  -4.960   7.076
  635    HA   TRP  79           HA       TRP  79  -2.793  -2.827   8.744
  636   1HB   TRP  79          1HB       TRP  79  -4.782  -1.692   8.099
  637   2HB   TRP  79          2HB       TRP  79  -4.452  -2.778   6.759
  638    HD1  TRP  79           HD1      TRP  79  -6.363  -4.345   6.062
  639    HE1  TRP  79           HE1      TRP  79  -8.631  -5.030   7.063
  640    HE3  TRP  79           HE3      TRP  79  -6.053  -2.045  10.614
  641    HZ2  TRP  79           HZ2      TRP  79 -10.123  -4.651   9.470
  642    HZ3  TRP  79           HZ3      TRP  79  -7.914  -2.222  12.237
  643    HH2  TRP  79           HH2      TRP  79  -9.949  -3.520  11.671
  644    H    GLU  80           H        GLU  80  -4.869  -5.602   9.522
  645    HA   GLU  80           HA       GLU  80  -6.206  -4.729  11.830
  646   1HB   GLU  80          1HB       GLU  80  -6.219  -7.010  10.630
  647   2HB   GLU  80          2HB       GLU  80  -4.839  -7.419  11.648
  648   1HG   GLU  80          1HG       GLU  80  -6.103  -7.529  13.555
  649   2HG   GLU  80          2HG       GLU  80  -7.181  -6.232  13.038
  650    H    GLU  81           H        GLU  81  -2.721  -5.573  11.574
  651    HA   GLU  81           HA       GLU  81  -2.251  -4.221  14.139
  652   1HB   GLU  81          1HB       GLU  81  -3.199  -6.621  14.501
  653   2HB   GLU  81          2HB       GLU  81  -1.582  -7.152  14.036
  654   1HG   GLU  81          1HG       GLU  81  -0.754  -5.420  15.793
  655   2HG   GLU  81          2HG       GLU  81  -2.406  -5.490  16.408
  656    H    LEU  82           H        LEU  82  -1.016  -3.591  11.676
  657    HA   LEU  82           HA       LEU  82   1.746  -4.707  12.057
  658   1HB   LEU  82          1HB       LEU  82   0.106  -3.952   9.654
  659   2HB   LEU  82          2HB       LEU  82   1.863  -3.845   9.565
  660    HG   LEU  82           HG       LEU  82   0.358  -6.323  10.441
  661   1HD1  LEU  82          3HD1      LEU  82   0.177  -5.465   7.960
  662   2HD1  LEU  82          2HD1      LEU  82   1.834  -6.055   7.838
  663   3HD1  LEU  82          1HD1      LEU  82   0.533  -7.164   8.271
  664   1HD2  LEU  82          3HD2      LEU  82   3.033  -5.561  10.816
  665   2HD2  LEU  82          2HD2      LEU  82   2.389  -7.198  10.934
  666   3HD2  LEU  82          1HD2      LEU  82   3.080  -6.632   9.415
  667    H    GLU  83           H        GLU  83   0.302  -1.799  10.452
  668    HA   GLU  83           HA       GLU  83   2.243  -0.126  12.019
  669   1HB   GLU  83          1HB       GLU  83   2.327  -0.581   9.378
  670   2HB   GLU  83          2HB       GLU  83   1.140   0.723   9.373
  671   1HG   GLU  83          1HG       GLU  83   3.353   1.698   9.143
  672   2HG   GLU  83          2HG       GLU  83   2.730   2.097  10.743
  673    H    ASP  84           H        ASP  84   1.220   1.415  13.326
  674    HA   ASP  84           HA       ASP  84  -1.714   1.764  13.031
  675   1HB   ASP  84          1HB       ASP  84  -0.082   1.534  15.185
  676   2HB   ASP  84          2HB       ASP  84  -0.174   3.291  15.063
  677    H    ASN  85           H        ASN  85   1.164   3.928  13.149
  678    HA   ASN  85           HA       ASN  85  -0.289   6.332  12.505
  679   1HB   ASN  85          1HB       ASN  85   2.237   5.809  13.271
  680   2HB   ASN  85          2HB       ASN  85   2.520   5.980  11.538
  681   1HD2  ASN  85          2HD2      ASN  85   2.909   8.127  10.873
  682   2HD2  ASN  85          1HD2      ASN  85   2.362   9.502  11.705
  683    H    GLU  86           H        GLU  86   1.477   4.033  10.388
  684    HA   GLU  86           HA       GLU  86   0.892   5.405   7.920
  685   1HB   GLU  86          1HB       GLU  86   1.494   2.515   8.603
  686   2HB   GLU  86          2HB       GLU  86   1.309   3.071   6.941
  687   1HG   GLU  86          1HG       GLU  86   3.269   4.260   8.924
  688   2HG   GLU  86          2HG       GLU  86   3.694   3.052   7.711
  689    H    LYS  87           H        LYS  87  -0.942   2.954   9.781
  690    HA   LYS  87           HA       LYS  87  -2.970   2.430   7.819
  691   1HB   LYS  87          1HB       LYS  87  -2.626   1.138   9.924
  692   2HB   LYS  87          2HB       LYS  87  -3.217   2.520  10.847
  693   1HG   LYS  87          1HG       LYS  87  -5.328   2.361   9.365
  694   2HG   LYS  87          2HG       LYS  87  -4.742   0.754   8.935
  695   1HD   LYS  87          1HD       LYS  87  -6.009   0.198  10.781
  696   2HD   LYS  87          2HD       LYS  87  -4.480   0.552  11.587
  697   1HE   LYS  87          1HE       LYS  87  -5.309   2.958  11.836
  698   2HE   LYS  87          2HE       LYS  87  -6.902   2.358  11.336
  699   1HZ   LYS  87          1HZ       LYS  87  -6.743   0.661  13.075
  700   2HZ   LYS  87          3HZ       LYS  87  -5.264   1.314  13.587
  701   3HZ   LYS  87          2HZ       LYS  87  -6.689   2.228  13.731
  702    H    GLU  88           H        GLU  88  -2.721   5.010  10.295
  703    HA   GLU  88           HA       GLU  88  -5.333   6.151   9.874
  704   1HB   GLU  88          1HB       GLU  88  -2.696   7.073  10.965
  705   2HB   GLU  88          2HB       GLU  88  -3.911   8.303  10.613
  706   1HG   GLU  88          1HG       GLU  88  -4.779   5.869  12.116
  707   2HG   GLU  88          2HG       GLU  88  -3.837   7.085  12.980
  708    H    GLN  89           H        GLN  89  -2.187   6.790   8.257
  709    HA   GLN  89           HA       GLN  89  -3.086   8.948   6.588
  710   1HB   GLN  89          1HB       GLN  89  -0.875   6.929   6.530
  711   2HB   GLN  89          2HB       GLN  89  -1.176   7.859   5.063
  712   1HG   GLN  89          1HG       GLN  89  -0.530   9.848   6.023
  713   2HG   GLN  89          2HG       GLN  89  -1.084   9.372   7.629
  714   1HE2  GLN  89          1HE2      GLN  89   1.039   9.960   8.603
  715   2HE2  GLN  89          2HE2      GLN  89   2.400   8.978   8.341
  716    H    ILE  90           H        ILE  90  -3.296   5.403   6.146
  717    HA   ILE  90           HA       ILE  90  -4.145   5.410   3.402
  718    HB   ILE  90           HB       ILE  90  -4.820   3.525   5.698
  719   1HG1  ILE  90          1HG1      ILE  90  -2.861   2.995   3.478
  720   2HG1  ILE  90          2HG1      ILE  90  -2.364   3.983   4.849
  721   1HG2  ILE  90          3HG2      ILE  90  -6.382   3.351   3.723
  722   2HG2  ILE  90          2HG2      ILE  90  -4.980   2.993   2.715
  723   3HG2  ILE  90          1HG2      ILE  90  -5.435   1.891   4.015
  724   1HD1  ILE  90          3HD1      ILE  90  -3.648   1.822   6.046
  725   2HD1  ILE  90          2HD1      ILE  90  -2.774   1.092   4.700
  726   3HD1  ILE  90          1HD1      ILE  90  -1.903   2.038   5.905
  727    H    THR  91           H        THR  91  -6.030   5.830   6.438
  728    HA   THR  91           HA       THR  91  -8.647   5.741   5.260
  729    HB   THR  91           HB       THR  91  -8.138   7.708   7.441
  730    HG1  THR  91           HG1      THR  91  -7.529   6.135   8.874
  731   1HG2  THR  91          1HG2      THR  91 -10.065   5.512   6.778
  732   2HG2  THR  91          3HG2      THR  91  -9.894   6.016   8.459
  733   3HG2  THR  91          2HG2      THR  91 -10.390   7.185   7.236
  734    H    GLN  92           H        GLN  92  -6.338   8.459   5.596
  735    HA   GLN  92           HA       GLN  92  -8.057  10.542   4.623
  736   1HB   GLN  92          1HB       GLN  92  -5.098  10.050   4.754
  737   2HB   GLN  92          2HB       GLN  92  -5.672  11.408   3.785
  738   1HG   GLN  92          1HG       GLN  92  -7.023  12.147   5.796
  739   2HG   GLN  92          2HG       GLN  92  -6.169  10.918   6.731
  740   1HE2  GLN  92          1HE2      GLN  92  -4.318  11.727   7.783
  741   2HE2  GLN  92          2HE2      GLN  92  -3.390  13.033   7.223
  742    H    HIS  93           H        HIS  93  -6.013   8.173   2.856
  743    HA   HIS  93           HA       HIS  93  -6.259   9.244   0.224
  744   1HB   HIS  93          1HB       HIS  93  -5.960   6.477   1.377
  745   2HB   HIS  93          2HB       HIS  93  -6.181   6.670  -0.358
  746    HD1  HIS  93           HD1      HIS  93  -4.209   7.494  -1.711
  747    HD2  HIS  93           HD2      HIS  93  -3.526   7.702   2.395
  748    HE1  HIS  93           HE1      HIS  93  -1.739   7.958  -1.418
  749    H    ILE  94           H        ILE  94  -8.447   6.914   1.915
  750    HA   ILE  94           HA       ILE  94 -10.331   6.729  -0.274
  751    HB   ILE  94           HB       ILE  94 -10.563   6.245   2.721
  752   1HG1  ILE  94          1HG1      ILE  94 -10.843   3.840   1.394
  753   2HG1  ILE  94          2HG1      ILE  94  -9.701   4.694   0.359
  754   1HG2  ILE  94          1HG2      ILE  94 -12.801   6.761   1.735
  755   2HG2  ILE  94          3HG2      ILE  94 -12.551   5.470   0.558
  756   3HG2  ILE  94          2HG2      ILE  94 -12.674   5.087   2.276
  757   1HD1  ILE  94          3HD1      ILE  94  -9.243   4.776   3.313
  758   2HD1  ILE  94          2HD1      ILE  94  -8.872   3.279   2.456
  759   3HD1  ILE  94          1HD1      ILE  94  -8.071   4.780   1.994
  760    H    ALA  95           H        ALA  95 -10.140   8.910   2.562
  761    HA   ALA  95           HA       ALA  95 -12.653  10.265   2.014
  762   1HB   ALA  95          3HB       ALA  95 -11.619  12.035   3.523
  763   2HB   ALA  95          1HB       ALA  95 -10.148  11.060   3.538
  764   3HB   ALA  95          2HB       ALA  95 -11.642  10.412   4.214
  765    H    ASP  96           H        ASP  96  -9.253  10.908   1.070
  766    HA   ASP  96           HA       ASP  96  -9.766  13.420  -0.268
  767   1HB   ASP  96          1HB       ASP  96  -7.533  12.197   0.410
  768   2HB   ASP  96          2HB       ASP  96  -7.669  11.455  -1.185
  769    H    LEU  97           H        LEU  97  -9.828  10.016  -1.420
  770    HA   LEU  97           HA       LEU  97 -10.385  10.718  -4.197
  771   1HB   LEU  97          1HB       LEU  97  -9.543   8.483  -3.000
  772   2HB   LEU  97          2HB       LEU  97 -11.269   8.117  -2.995
  773    HG   LEU  97           HG       LEU  97 -11.314   8.621  -5.458
  774   1HD1  LEU  97          1HD1      LEU  97  -8.366   8.941  -4.913
  775   2HD1  LEU  97          3HD1      LEU  97  -8.939   8.444  -6.505
  776   3HD1  LEU  97          2HD1      LEU  97  -9.440   9.996  -5.833
  777   1HD2  LEU  97          3HD2      LEU  97  -9.784   6.392  -4.192
  778   2HD2  LEU  97          2HD2      LEU  97 -11.257   6.333  -5.158
  779   3HD2  LEU  97          1HD2      LEU  97  -9.694   6.536  -5.947
  780    H    SER  98           H        SER  98 -12.452  10.075  -1.338
  781    HA   SER  98           HA       SER  98 -14.881  10.403  -3.057
  782   1HB   SER  98          1HB       SER  98 -14.784   8.439  -1.595
  783   2HB   SER  98          2HB       SER  98 -14.454   9.463  -0.198
  784    HG   SER  98           HG       SER  98 -16.493  10.231  -0.275
  785    H    SER  99           H        SER  99 -13.257  12.771  -2.502
  786    HA   SER  99           HA       SER  99 -15.324  14.472  -1.299
  787   1HB   SER  99          1HB       SER  99 -14.010  13.331   0.588
  788   2HB   SER  99          2HB       SER  99 -12.633  14.302   0.075
  789    HG   SER  99           HG       SER  99 -14.152  15.153   1.770
  790    H    LYS 100           H        LYS 100 -15.170  16.508  -2.287
  791    HA   LYS 100           HA       LYS 100 -12.525  17.232  -3.514
  792   1HB   LYS 100          1HB       LYS 100 -15.385  17.500  -4.469
  793   2HB   LYS 100          2HB       LYS 100 -14.060  18.391  -5.217
  794   1HG   LYS 100          1HG       LYS 100 -13.839  15.416  -4.831
  795   2HG   LYS 100          2HG       LYS 100 -14.734  16.064  -6.206
  796   1HD   LYS 100          1HD       LYS 100 -11.945  17.020  -5.568
  797   2HD   LYS 100          2HD       LYS 100 -12.218  15.578  -6.549
  798   1HE   LYS 100          1HE       LYS 100 -13.168  16.787  -8.305
  799   2HE   LYS 100          2HE       LYS 100 -13.684  18.113  -7.244
  800   1HZ   LYS 100          1HZ       LYS 100 -11.331  18.618  -6.840
  801   2HZ   LYS 100          3HZ       LYS 100 -10.882  17.419  -7.954
  802   3HZ   LYS 100          2HZ       LYS 100 -11.741  18.786  -8.481
  803    H    ALA 101           H        ALA 101 -15.672  18.888  -2.819
  804    HA   ALA 101           HA       ALA 101 -14.184  20.889  -1.178
  805   1HB   ALA 101          3HB       ALA 101 -16.174  21.856  -3.186
  806   2HB   ALA 101          2HB       ALA 101 -14.700  22.634  -2.607
  807   3HB   ALA 101          1HB       ALA 101 -14.603  21.331  -3.792
  808    H    ALA 102           H        ALA 102 -16.310  22.676  -0.738
  809    HA   ALA 102           HA       ALA 102 -18.363  20.899   0.547
  810   1HB   ALA 102          1HB       ALA 102 -16.840  23.339   1.349
  811   2HB   ALA 102          3HB       ALA 102 -18.492  23.193   1.946
  812   3HB   ALA 102          2HB       ALA 102 -17.307  21.943   2.319
  813    H    GLY 103           H        GLY 103 -20.508  22.290   0.955
  814   1HA   GLY 103          2HA       GLY 103 -22.354  23.315  -0.063
  815   2HA   GLY 103          1HA       GLY 103 -21.550  23.044  -1.610
  816    H    THR 104           H        THR 104 -20.762  24.868  -2.667
  817    HA   THR 104           HA       THR 104 -20.834  27.442  -1.155
  818    HB   THR 104           HB       THR 104 -18.592  27.825  -2.543
  819    HG1  THR 104           HG1      THR 104 -18.473  25.908  -3.587
  820   1HG2  THR 104          3HG2      THR 104 -19.151  27.476   0.062
  821   2HG2  THR 104          2HG2      THR 104 -18.192  26.021  -0.210
  822   3HG2  THR 104          1HG2      THR 104 -17.498  27.609  -0.538
  823    HA   PRO 105           HA       PRO 105 -22.740  28.696  -4.956
  824   1HB   PRO 105          1HB       PRO 105 -22.483  31.411  -4.741
  825   2HB   PRO 105          2HB       PRO 105 -23.656  30.475  -3.793
  826   1HG   PRO 105          1HG       PRO 105 -21.016  31.575  -2.983
  827   2HG   PRO 105          2HG       PRO 105 -22.521  31.454  -2.060
  828   1HD   PRO 105          1HD       PRO 105 -20.407  29.744  -1.759
  829   2HD   PRO 105          2HD       PRO 105 -22.091  29.313  -1.394
  830    H    LYS 106           H        LYS 106 -21.004  27.810  -6.379
  831    HA   LYS 106           HA       LYS 106 -19.305  29.975  -7.535
  832   1HB   LYS 106          1HB       LYS 106 -18.030  28.710  -5.805
  833   2HB   LYS 106          2HB       LYS 106 -18.348  27.220  -6.693
  834   1HG   LYS 106          1HG       LYS 106 -17.154  28.087  -8.644
  835   2HG   LYS 106          2HG       LYS 106 -16.896  29.629  -7.826
  836   1HD   LYS 106          1HD       LYS 106 -15.745  28.236  -5.977
  837   2HD   LYS 106          2HD       LYS 106 -15.698  26.939  -7.170
  838   1HE   LYS 106          1HE       LYS 106 -13.680  27.949  -7.687
  839   2HE   LYS 106          2HE       LYS 106 -14.733  28.969  -8.687
  840   1HZ   LYS 106          3HZ       LYS 106 -14.059  29.517  -5.845
  841   2HZ   LYS 106          2HZ       LYS 106 -13.315  30.276  -7.170
  842   3HZ   LYS 106          1HZ       LYS 106 -14.972  30.508  -6.874
  843    H    LYS 107           H        LYS 107 -19.042  29.742  -9.814
  844    HA   LYS 107           HA       LYS 107 -20.287  27.292 -11.031
  845   1HB   LYS 107          1HB       LYS 107 -20.317  30.208 -11.879
  846   2HB   LYS 107          2HB       LYS 107 -20.980  28.890 -12.844
  847   1HG   LYS 107          1HG       LYS 107 -22.908  29.387 -11.728
  848   2HG   LYS 107          2HG       LYS 107 -22.189  28.397 -10.458
  849   1HD   LYS 107          1HD       LYS 107 -21.067  30.596  -9.665
  850   2HD   LYS 107          2HD       LYS 107 -22.265  31.404 -10.678
  851   1HE   LYS 107          1HE       LYS 107 -24.080  30.221  -9.451
  852   2HE   LYS 107          2HE       LYS 107 -22.857  29.485  -8.395
  853   1HZ   LYS 107          3HZ       LYS 107 -22.047  31.744  -7.900
  854   2HZ   LYS 107          2HZ       LYS 107 -23.337  32.391  -8.795
  855   3HZ   LYS 107          1HZ       LYS 107 -23.643  31.503  -7.380
  856    H    LYS 108           H        LYS 108 -19.176  26.422 -12.895
  857    HA   LYS 108           HA       LYS 108 -16.569  27.739 -13.579
  858   1HB   LYS 108          1HB       LYS 108 -16.877  25.487 -12.049
  859   2HB   LYS 108          2HB       LYS 108 -16.724  24.783 -13.658
  860   1HG   LYS 108          1HG       LYS 108 -14.700  26.425 -13.903
  861   2HG   LYS 108          2HG       LYS 108 -14.749  26.467 -12.140
  862   1HD   LYS 108          1HD       LYS 108 -13.337  24.661 -12.440
  863   2HD   LYS 108          2HD       LYS 108 -14.889  23.824 -12.438
  864   1HE   LYS 108          1HE       LYS 108 -14.693  24.517 -15.079
  865   2HE   LYS 108          2HE       LYS 108 -12.989  24.237 -14.667
  866   1HZ   LYS 108          2HZ       LYS 108 -13.659  22.153 -13.590
  867   2HZ   LYS 108          1HZ       LYS 108 -15.258  22.400 -14.108
  868   3HZ   LYS 108          3HZ       LYS 108 -14.028  22.151 -15.249
  869    H    ALA 109           H        ALA 109 -18.629  24.957 -14.669
  870    HA   ALA 109           HA       ALA 109 -18.537  26.116 -17.430
  871   1HB   ALA 109          3HB       ALA 109 -17.784  23.382 -16.403
  872   2HB   ALA 109          1HB       ALA 109 -16.874  24.442 -17.481
  873   3HB   ALA 109          2HB       ALA 109 -18.302  23.596 -18.076
  874    H    VAL 110           H        VAL 110 -20.492  25.775 -18.634
  875    HA   VAL 110           HA       VAL 110 -22.632  24.206 -17.239
  876    HB   VAL 110           HB       VAL 110 -24.195  26.035 -17.934
  877   1HG1  VAL 110          3HG1      VAL 110 -21.829  26.665 -16.164
  878   2HG1  VAL 110          2HG1      VAL 110 -23.196  27.769 -16.321
  879   3HG1  VAL 110          1HG1      VAL 110 -23.445  26.143 -15.685
  880   1HG2  VAL 110          1HG2      VAL 110 -22.125  26.800 -19.621
  881   2HG2  VAL 110          3HG2      VAL 110 -23.546  27.772 -19.244
  882   3HG2  VAL 110          2HG2      VAL 110 -22.049  28.005 -18.340
  883    H    VAL 111           H        VAL 111 -23.946  22.948 -18.637
  884    HA   VAL 111           HA       VAL 111 -23.579  23.326 -21.582
  885    HB   VAL 111           HB       VAL 111 -23.292  20.741 -20.007
  886   1HG1  VAL 111          3HG1      VAL 111 -23.516  21.383 -22.918
  887   2HG1  VAL 111          2HG1      VAL 111 -22.388  20.115 -22.440
  888   3HG1  VAL 111          1HG1      VAL 111 -24.097  19.973 -22.033
  889   1HG2  VAL 111          2HG2      VAL 111 -21.356  22.698 -21.195
  890   2HG2  VAL 111          1HG2      VAL 111 -21.241  21.786 -19.689
  891   3HG2  VAL 111          3HG2      VAL 111 -20.946  20.984 -21.232
  892    H    GLN 112           H        GLN 112 -25.566  23.138 -22.665
  893    HA   GLN 112           HA       GLN 112 -27.789  21.725 -21.233
  894   1HB   GLN 112          1HB       GLN 112 -29.255  23.601 -21.963
  895   2HB   GLN 112          2HB       GLN 112 -27.956  24.159 -20.909
  896   1HG   GLN 112          1HG       GLN 112 -26.709  25.038 -22.746
  897   2HG   GLN 112          2HG       GLN 112 -27.717  24.199 -23.924
  898   1HE2  GLN 112          1HE2      GLN 112 -27.381  27.161 -22.124
  899   2HE2  GLN 112          2HE2      GLN 112 -28.871  27.838 -22.575
  900    H    ALA 113           H        ALA 113 -29.274  20.620 -22.652
  901    HA   ALA 113           HA       ALA 113 -28.459  20.582 -25.543
  902   1HB   ALA 113          1HB       ALA 113 -29.029  18.502 -23.492
  903   2HB   ALA 113          2HB       ALA 113 -27.905  18.458 -24.851
  904   3HB   ALA 113          3HB       ALA 113 -29.625  18.174 -25.118
  905    H    LYS 114           H        LYS 114 -30.173  20.756 -27.071
  906    HA   LYS 114           HA       LYS 114 -32.918  21.113 -25.908
  907   1HB   LYS 114          1HB       LYS 114 -31.699  23.108 -26.876
  908   2HB   LYS 114          2HB       LYS 114 -31.731  22.289 -28.439
  909   1HG   LYS 114          1HG       LYS 114 -34.128  22.308 -28.501
  910   2HG   LYS 114          2HG       LYS 114 -34.230  22.824 -26.818
  911   1HD   LYS 114          1HD       LYS 114 -33.419  24.997 -27.316
  912   2HD   LYS 114          2HD       LYS 114 -32.832  24.501 -28.904
  913   1HE   LYS 114          1HE       LYS 114 -35.442  23.885 -29.216
  914   2HE   LYS 114          2HE       LYS 114 -35.596  25.219 -28.054
  915   1HZ   LYS 114          3HZ       LYS 114 -34.127  26.549 -29.444
  916   2HZ   LYS 114          2HZ       LYS 114 -34.008  25.280 -30.568
  917   3HZ   LYS 114          1HZ       LYS 114 -35.495  26.064 -30.321
  918    H    LEU 115           H        LEU 115 -34.504  19.704 -26.697
  919    HA   LEU 115           HA       LEU 115 -33.821  18.120 -29.157
  920   1HB   LEU 115          1HB       LEU 115 -33.974  17.140 -26.691
  921   2HB   LEU 115          2HB       LEU 115 -35.706  17.172 -27.025
  922    HG   LEU 115           HG       LEU 115 -33.835  15.996 -29.058
  923   1HD1  LEU 115          2HD1      LEU 115 -33.243  14.921 -26.914
  924   2HD1  LEU 115          1HD1      LEU 115 -34.944  14.554 -26.630
  925   3HD1  LEU 115          3HD1      LEU 115 -34.090  13.795 -27.973
  926   1HD2  LEU 115          3HD2      LEU 115 -36.702  15.475 -28.207
  927   2HD2  LEU 115          2HD2      LEU 115 -36.181  16.321 -29.664
  928   3HD2  LEU 115          1HD2      LEU 115 -35.862  14.596 -29.485
  929    H    THR 116           H        THR 116 -35.127  18.912 -30.832
  930    HA   THR 116           HA       THR 116 -37.961  19.628 -30.144
  931    HB   THR 116           HB       THR 116 -36.244  20.598 -32.447
  932    HG1  THR 116           HG1      THR 116 -35.775  22.340 -31.189
  933   1HG2  THR 116          3HG2      THR 116 -38.913  20.705 -32.261
  934   2HG2  THR 116          2HG2      THR 116 -38.525  22.129 -31.294
  935   3HG2  THR 116          1HG2      THR 116 -37.973  22.020 -32.966
  936    H    THR 117           H        THR 117 -39.131  17.742 -30.716
  937    HA   THR 117           HA       THR 117 -38.858  16.844 -33.554
  938    HB   THR 117           HB       THR 117 -39.152  14.476 -32.471
  939    HG1  THR 117           HG1      THR 117 -39.497  15.076 -30.378
  940   1HG2  THR 117          1HG2      THR 117 -37.064  15.646 -33.558
  941   2HG2  THR 117          3HG2      THR 117 -36.484  15.723 -31.895
  942   3HG2  THR 117          2HG2      THR 117 -36.848  14.162 -32.630

  No H/Q in entry =         942
  Start of MODEL   11
    1    H1   MET   1           H        MET   1 -18.537 -13.731  -6.853
    2    H2   MET   1           HN2      MET   1 -19.658 -14.924  -6.397
    3    HA   MET   1           HA       MET   1 -19.250 -13.664  -4.448
    4   1HB   MET   1          1HB       MET   1 -18.115 -16.383  -4.837
    5   2HB   MET   1          2HB       MET   1 -17.681 -15.580  -3.328
    6   1HG   MET   1          1HG       MET   1 -19.676 -16.579  -2.698
    7   2HG   MET   1          2HG       MET   1 -20.274 -15.021  -3.268
    8   1HE   MET   1          1HE       MET   1 -22.313 -15.617  -3.395
    9   2HE   MET   1          3HE       MET   1 -22.593 -15.244  -5.101
   10   3HE   MET   1          2HE       MET   1 -23.140 -16.778  -4.430
   11    H    ALA   2           H        ALA   2 -16.066 -14.990  -5.572
   12    HA   ALA   2           HA       ALA   2 -14.819 -12.393  -4.751
   13   1HB   ALA   2          3HB       ALA   2 -14.341 -13.783  -2.915
   14   2HB   ALA   2          2HB       ALA   2 -14.199 -15.222  -3.924
   15   3HB   ALA   2          1HB       ALA   2 -12.919 -14.009  -3.934
   16    H    GLU   3           H        GLU   3 -12.648 -12.071  -5.839
   17    HA   GLU   3           HA       GLU   3 -12.223 -13.809  -8.234
   18   1HB   GLU   3          1HB       GLU   3 -12.990 -10.935  -8.049
   19   2HB   GLU   3          2HB       GLU   3 -11.792 -11.355  -9.274
   20   1HG   GLU   3          1HG       GLU   3 -13.694 -11.756 -10.506
   21   2HG   GLU   3          2HG       GLU   3 -13.540 -13.335  -9.734
   22    H    GLN   4           H        GLN   4 -10.858 -10.733  -6.892
   23    HA   GLN   4           HA       GLN   4  -8.162 -12.054  -6.960
   24   1HB   GLN   4          1HB       GLN   4  -9.087  -9.203  -7.431
   25   2HB   GLN   4          2HB       GLN   4  -7.388  -9.663  -7.308
   26   1HG   GLN   4          1HG       GLN   4  -7.381 -10.709  -9.346
   27   2HG   GLN   4          2HG       GLN   4  -9.046 -11.268  -9.181
   28   1HE2  GLN   4          1HE2      GLN   4 -10.384 -10.269 -10.730
   29   2HE2  GLN   4          2HE2      GLN   4 -10.213  -8.663 -11.253
   30    H    ARG   5           H        ARG   5  -6.628 -11.227  -5.234
   31    HA   ARG   5           HA       ARG   5  -8.076 -10.188  -2.818
   32   1HB   ARG   5          1HB       ARG   5  -6.480 -12.643  -3.310
   33   2HB   ARG   5          2HB       ARG   5  -6.143 -11.808  -1.793
   34   1HG   ARG   5          1HG       ARG   5  -8.671 -11.762  -1.416
   35   2HG   ARG   5          2HG       ARG   5  -8.794 -12.898  -2.760
   36   1HD   ARG   5          1HD       ARG   5  -7.081 -14.345  -1.498
   37   2HD   ARG   5          2HD       ARG   5  -7.416 -13.309  -0.096
   38    HE   ARG   5           HE       ARG   5  -9.593 -14.759  -1.559
   39   1HH1  ARG   5          1HH1      ARG   5 -11.348 -13.805  -0.001
   40   2HH1  ARG   5          2HH1      ARG   5 -11.107 -14.313   1.637
   41   1HH2  ARG   5          1HH2      ARG   5  -7.837 -15.341   1.116
   42   2HH2  ARG   5          2HH2      ARG   5  -9.119 -15.183   2.269
   43    H    PHE   6           H        PHE   6  -6.805  -8.771  -1.472
   44    HA   PHE   6           HA       PHE   6  -4.222  -7.864  -2.716
   45   1HB   PHE   6          1HB       PHE   6  -6.606  -6.553  -1.547
   46   2HB   PHE   6          2HB       PHE   6  -5.064  -5.848  -1.063
   47    HD1  PHE   6           HD1      PHE   6  -6.936  -6.991  -4.102
   48    HD2  PHE   6           HD2      PHE   6  -3.962  -4.354  -2.484
   49    HE1  PHE   6           HE1      PHE   6  -6.799  -5.810  -6.279
   50    HE2  PHE   6           HE2      PHE   6  -3.825  -3.168  -4.651
   51    HZ   PHE   6           HZ       PHE   6  -5.244  -3.895  -6.555
   52    H    CYS   7           H        CYS   7  -2.468  -7.342  -1.242
   53    HA   CYS   7           HA       CYS   7  -2.820  -8.278   1.582
   54   1HB   CYS   7          1HB       CYS   7  -1.729  -9.865  -0.256
   55   2HB   CYS   7          2HB       CYS   7  -0.314  -8.854   0.035
   56    HG   CYS   7           HG       CYS   7  -1.458 -10.912   1.986
   57    H    VAL   8           H        VAL   8  -2.114  -6.629   2.950
   58    HA   VAL   8           HA       VAL   8  -0.326  -4.538   1.771
   59    HB   VAL   8           HB       VAL   8  -1.134  -3.134   3.610
   60   1HG1  VAL   8          3HG1      VAL   8  -2.931  -4.506   1.729
   61   2HG1  VAL   8          2HG1      VAL   8  -3.765  -3.781   3.103
   62   3HG1  VAL   8          1HG1      VAL   8  -2.745  -2.785   2.066
   63   1HG2  VAL   8          2HG2      VAL   8  -1.762  -5.689   4.818
   64   2HG2  VAL   8          1HG2      VAL   8  -1.747  -4.092   5.557
   65   3HG2  VAL   8          3HG2      VAL   8  -3.207  -4.685   4.768
   66    H    ASP   9           H        ASP   9   1.785  -4.243   2.518
   67    HA   ASP   9           HA       ASP   9   2.565  -5.545   5.090
   68   1HB   ASP   9          1HB       ASP   9   2.900  -6.789   2.686
   69   2HB   ASP   9          2HB       ASP   9   4.415  -5.893   2.797
   70    H    TYR  10           H        TYR  10   3.298  -3.697   6.185
   71    HA   TYR  10           HA       TYR  10   4.375  -1.327   5.009
   72   1HB   TYR  10          1HB       TYR  10   4.485  -2.653   7.691
   73   2HB   TYR  10          2HB       TYR  10   5.584  -1.306   7.399
   74    HD1  TYR  10           HD1      TYR  10   2.147  -2.302   8.013
   75    HD2  TYR  10           HD2      TYR  10   4.653   0.925   6.694
   76    HE1  TYR  10           HE1      TYR  10   0.288  -0.707   8.393
   77    HE2  TYR  10           HE2      TYR  10   2.794   2.523   7.074
   78    HH   TYR  10           HH       TYR  10  -0.295   1.723   7.315
   79    H    ALA  11           H        ALA  11   6.647  -0.566   4.950
   80    HA   ALA  11           HA       ALA  11   8.498  -2.769   4.151
   81   1HB   ALA  11          1HB       ALA  11   9.201   0.141   4.003
   82   2HB   ALA  11          2HB       ALA  11   7.921  -0.454   2.945
   83   3HB   ALA  11          3HB       ALA  11   9.540  -1.149   2.849
   84    H    LYS  12           H        LYS  12   9.900  -3.559   5.716
   85    HA   LYS  12           HA       LYS  12  10.686  -1.708   7.945
   86   1HB   LYS  12          1HB       LYS  12  10.070  -4.613   7.669
   87   2HB   LYS  12          2HB       LYS  12  11.317  -4.173   8.837
   88   1HG   LYS  12          1HG       LYS  12   9.679  -2.454   9.756
   89   2HG   LYS  12          2HG       LYS  12   8.445  -3.224   8.757
   90   1HD   LYS  12          1HD       LYS  12   8.794  -5.354   9.883
   91   2HD   LYS  12          2HD       LYS  12  10.135  -4.680  10.811
   92   1HE   LYS  12          1HE       LYS  12   8.248  -2.885  11.487
   93   2HE   LYS  12          2HE       LYS  12   7.200  -4.283  11.176
   94   1HZ   LYS  12          2HZ       LYS  12   9.644  -4.321  12.869
   95   2HZ   LYS  12          1HZ       LYS  12   8.053  -4.280  13.462
   96   3HZ   LYS  12          3HZ       LYS  12   8.597  -5.630  12.592
   97    H    ARG  13           H        ARG  13  12.046  -4.441   5.982
   98    HA   ARG  13           HA       ARG  13  14.654  -2.978   5.955
   99   1HB   ARG  13          1HB       ARG  13  13.917  -5.542   7.228
  100   2HB   ARG  13          2HB       ARG  13  15.381  -5.614   6.246
  101   1HG   ARG  13          1HG       ARG  13  16.082  -3.454   7.486
  102   2HG   ARG  13          2HG       ARG  13  14.814  -3.869   8.641
  103   1HD   ARG  13          1HD       ARG  13  16.084  -6.276   8.425
  104   2HD   ARG  13          2HD       ARG  13  17.445  -5.158   8.199
  105    HE   ARG  13           HE       ARG  13  15.550  -4.894  10.505
  106   1HH1  ARG  13          1HH1      ARG  13  18.401  -6.365  10.173
  107   2HH1  ARG  13          2HH1      ARG  13  19.345  -5.284  11.142
  108   1HH2  ARG  13          1HH2      ARG  13  16.883  -2.846  11.291
  109   2HH2  ARG  13          2HH2      ARG  13  18.486  -3.291  11.775
  110    H    GLY  14           H        GLY  14  14.448  -2.552   3.663
  111   1HA   GLY  14          2HA       GLY  14  13.968  -4.892   1.894
  112   2HA   GLY  14          1HA       GLY  14  15.496  -4.028   1.724
  113    H    THR  15           H        THR  15  15.417  -2.582   0.024
  114    HA   THR  15           HA       THR  15  12.847  -1.088  -0.414
  115    HB   THR  15           HB       THR  15  14.361   0.684  -1.298
  116    HG1  THR  15           HG1      THR  15  16.087  -0.463  -2.005
  117   1HG2  THR  15          1HG2      THR  15  13.767   0.320   1.218
  118   2HG2  THR  15          3HG2      THR  15  15.457  -0.160   1.372
  119   3HG2  THR  15          2HG2      THR  15  15.050   1.458   0.803
  120    H    ALA  16           H        ALA  16  12.047  -0.998  -2.587
  121    HA   ALA  16           HA       ALA  16  13.692  -2.125  -4.774
  122   1HB   ALA  16          1HB       ALA  16  12.139  -3.952  -5.196
  123   2HB   ALA  16          2HB       ALA  16  11.047  -3.370  -3.939
  124   3HB   ALA  16          3HB       ALA  16  12.623  -4.033  -3.504
  125    H    GLY  17           H        GLY  17  12.847  -1.611  -6.893
  126   1HA   GLY  17          2HA       GLY  17  11.569  -0.394  -8.447
  127   2HA   GLY  17          1HA       GLY  17  11.409   0.808  -7.162
  128    H    CYS  18           H        CYS  18   9.239   1.251  -6.826
  129    HA   CYS  18           HA       CYS  18   7.445  -0.818  -5.967
  130   1HB   CYS  18          1HB       CYS  18   5.778   0.941  -5.919
  131   2HB   CYS  18          2HB       CYS  18   7.312   1.590  -5.374
  132    H    LYS  19           H        LYS  19   6.245  -2.259  -7.096
  133    HA   LYS  19           HA       LYS  19   6.324  -2.288 -10.025
  134   1HB   LYS  19          1HB       LYS  19   4.885  -3.936  -7.919
  135   2HB   LYS  19          2HB       LYS  19   4.763  -4.276  -9.646
  136   1HG   LYS  19          1HG       LYS  19   7.481  -3.965  -8.417
  137   2HG   LYS  19          2HG       LYS  19   6.608  -5.481  -8.188
  138   1HD   LYS  19          1HD       LYS  19   6.245  -5.471 -10.729
  139   2HD   LYS  19          2HD       LYS  19   7.471  -4.204 -10.787
  140   1HE   LYS  19          1HE       LYS  19   8.943  -5.830  -9.402
  141   2HE   LYS  19          2HE       LYS  19   7.787  -7.078  -9.909
  142   1HZ   LYS  19          2HZ       LYS  19   9.079  -5.173 -11.784
  143   2HZ   LYS  19          1HZ       LYS  19   9.673  -6.736 -11.485
  144   3HZ   LYS  19          3HZ       LYS  19   8.140  -6.532 -12.181
  145    H    LYS  20           H        LYS  20   4.367  -2.131 -11.420
  146    HA   LYS  20           HA       LYS  20   2.326  -1.171 -12.083
  147   1HB   LYS  20          1HB       LYS  20   1.845  -2.373  -9.655
  148   2HB   LYS  20          2HB       LYS  20   1.344  -0.713  -9.332
  149   1HG   LYS  20          1HG       LYS  20  -0.579  -1.907 -10.183
  150   2HG   LYS  20          2HG       LYS  20  -0.033  -0.802 -11.445
  151   1HD   LYS  20          1HD       LYS  20   1.449  -2.967 -12.085
  152   2HD   LYS  20          2HD       LYS  20   0.057  -3.772 -11.359
  153   1HE   LYS  20          1HE       LYS  20  -0.640  -1.573 -13.216
  154   2HE   LYS  20          2HE       LYS  20   0.136  -2.977 -13.975
  155   1HZ   LYS  20          1HZ       LYS  20  -1.407  -4.390 -12.653
  156   2HZ   LYS  20          3HZ       LYS  20  -2.239  -2.986 -12.193
  157   3HZ   LYS  20          2HZ       LYS  20  -2.183  -3.441 -13.829
  158    H    CYS  21           H        CYS  21   4.777   0.547 -10.881
  159    HA   CYS  21           HA       CYS  21   3.676   3.076 -11.603
  160   1HB   CYS  21          1HB       CYS  21   3.738   4.120  -9.310
  161   2HB   CYS  21          2HB       CYS  21   2.417   3.003  -9.580
  162    H    LYS  22           H        LYS  22   5.319   4.761 -11.663
  163    HA   LYS  22           HA       LYS  22   8.067   3.658 -11.642
  164   1HB   LYS  22          1HB       LYS  22   6.642   6.003 -12.768
  165   2HB   LYS  22          2HB       LYS  22   8.330   6.284 -12.350
  166   1HG   LYS  22          1HG       LYS  22   8.279   5.506 -14.630
  167   2HG   LYS  22          2HG       LYS  22   8.907   4.189 -13.639
  168   1HD   LYS  22          1HD       LYS  22   6.503   3.329 -13.504
  169   2HD   LYS  22          2HD       LYS  22   6.124   4.484 -14.783
  170   1HE   LYS  22          1HE       LYS  22   8.406   3.227 -15.754
  171   2HE   LYS  22          2HE       LYS  22   7.513   1.907 -14.973
  172   1HZ   LYS  22          3HZ       LYS  22   6.240   3.902 -16.764
  173   2HZ   LYS  22          2HZ       LYS  22   6.811   2.398 -17.310
  174   3HZ   LYS  22          1HZ       LYS  22   5.557   2.470 -16.166
  175    H    GLU  23           H        GLU  23   8.532   3.426  -9.360
  176    HA   GLU  23           HA       GLU  23   9.657   5.814  -8.138
  177   1HB   GLU  23          1HB       GLU  23   6.981   5.624  -7.796
  178   2HB   GLU  23          2HB       GLU  23   7.522   4.678  -6.419
  179   1HG   GLU  23          1HG       GLU  23   8.352   6.462  -5.325
  180   2HG   GLU  23          2HG       GLU  23   9.017   7.179  -6.795
  181    H    LYS  24           H        LYS  24  10.084   5.069  -5.553
  182    HA   LYS  24           HA       LYS  24  11.065   2.221  -5.658
  183   1HB   LYS  24          1HB       LYS  24  13.117   3.070  -4.537
  184   2HB   LYS  24          2HB       LYS  24  12.884   3.826  -6.112
  185   1HG   LYS  24          1HG       LYS  24  12.074   5.850  -5.126
  186   2HG   LYS  24          2HG       LYS  24  11.912   5.092  -3.541
  187   1HD   LYS  24          1HD       LYS  24  14.198   5.130  -3.136
  188   2HD   LYS  24          2HD       LYS  24  14.606   5.126  -4.853
  189   1HE   LYS  24          1HE       LYS  24  13.325   7.489  -4.759
  190   2HE   LYS  24          2HE       LYS  24  13.910   7.425  -3.084
  191   1HZ   LYS  24          1HZ       LYS  24  16.116   6.869  -3.921
  192   2HZ   LYS  24          3HZ       LYS  24  15.558   6.983  -5.518
  193   3HZ   LYS  24          2HZ       LYS  24  15.598   8.367  -4.534
  194    H    ILE  25           H        ILE  25  11.010   1.129  -3.595
  195    HA   ILE  25           HA       ILE  25   9.287   2.492  -1.560
  196    HB   ILE  25           HB       ILE  25  10.062  -0.423  -1.947
  197   1HG1  ILE  25          1HG1      ILE  25   7.432   0.963  -2.545
  198   2HG1  ILE  25          2HG1      ILE  25   8.656   0.627  -3.770
  199   1HG2  ILE  25          3HG2      ILE  25   9.331   0.499   0.393
  200   2HG2  ILE  25          2HG2      ILE  25   7.730   0.585  -0.338
  201   3HG2  ILE  25          1HG2      ILE  25   8.567  -0.964  -0.228
  202   1HD1  ILE  25          2HD1      ILE  25   7.384  -1.483  -2.004
  203   2HD1  ILE  25          1HD1      ILE  25   6.876  -1.131  -3.657
  204   3HD1  ILE  25          3HD1      ILE  25   8.494  -1.764  -3.345
  205    H    VAL  26           H        VAL  26  10.346   3.351   0.216
  206    HA   VAL  26           HA       VAL  26  13.035   2.222   0.930
  207    HB   VAL  26           HB       VAL  26  11.722   4.894   1.547
  208   1HG1  VAL  26          1HG1      VAL  26  14.429   3.711   2.167
  209   2HG1  VAL  26          3HG1      VAL  26  14.197   5.457   2.064
  210   3HG1  VAL  26          2HG1      VAL  26  13.306   4.518   3.262
  211   1HG2  VAL  26          1HG2      VAL  26  12.336   4.417  -0.879
  212   2HG2  VAL  26          3HG2      VAL  26  13.135   5.817  -0.164
  213   3HG2  VAL  26          2HG2      VAL  26  14.014   4.299  -0.345
  214    H    LYS  27           H        LYS  27  13.505   1.942   3.244
  215    HA   LYS  27           HA       LYS  27  11.566   0.542   4.755
  216   1HB   LYS  27          1HB       LYS  27  13.916   2.224   5.696
  217   2HB   LYS  27          2HB       LYS  27  13.067   1.058   6.709
  218   1HG   LYS  27          1HG       LYS  27  14.030  -0.734   5.681
  219   2HG   LYS  27          2HG       LYS  27  13.947   0.009   4.085
  220   1HD   LYS  27          1HD       LYS  27  16.270  -0.117   4.596
  221   2HD   LYS  27          2HD       LYS  27  15.823   1.566   4.879
  222   1HE   LYS  27          1HE       LYS  27  16.827   1.241   6.915
  223   2HE   LYS  27          2HE       LYS  27  15.308   0.429   7.340
  224   1HZ   LYS  27          1HZ       LYS  27  17.562  -0.934   5.974
  225   2HZ   LYS  27          3HZ       LYS  27  17.350  -0.958   7.656
  226   3HZ   LYS  27          2HZ       LYS  27  16.174  -1.649   6.644
  227    H    GLY  28           H        GLY  28   9.701   1.203   5.832
  228   1HA   GLY  28          2HA       GLY  28   9.612   4.006   6.845
  229   2HA   GLY  28          1HA       GLY  28   8.630   2.681   7.454
  230    H    VAL  29           H        VAL  29   8.310   2.153   4.220
  231    HA   VAL  29           HA       VAL  29   6.155   4.204   3.917
  232    HB   VAL  29           HB       VAL  29   8.155   4.198   2.346
  233   1HG1  VAL  29          2HG1      VAL  29   6.870   1.620   1.385
  234   2HG1  VAL  29          1HG1      VAL  29   8.157   2.488   0.549
  235   3HG1  VAL  29          3HG1      VAL  29   8.461   1.764   2.126
  236   1HG2  VAL  29          3HG2      VAL  29   5.330   3.826   1.351
  237   2HG2  VAL  29          2HG2      VAL  29   6.216   5.331   1.591
  238   3HG2  VAL  29          1HG2      VAL  29   6.648   4.255   0.261
  239    H    CYS  30           H        CYS  30   4.033   3.458   3.648
  240    HA   CYS  30           HA       CYS  30   3.537   0.580   4.015
  241   1HB   CYS  30          1HB       CYS  30   1.186   1.251   4.097
  242   2HB   CYS  30          2HB       CYS  30   2.137   2.398   5.030
  243    HG   CYS  30           HG       CYS  30   1.646   4.212   3.357
  244    H    ARG  31           H        ARG  31   3.068  -0.932   2.387
  245    HA   ARG  31           HA       ARG  31   2.521   0.167  -0.351
  246   1HB   ARG  31          1HB       ARG  31   4.058  -1.592  -1.212
  247   2HB   ARG  31          2HB       ARG  31   4.884  -0.464  -0.141
  248   1HG   ARG  31          1HG       ARG  31   4.791  -2.034   1.696
  249   2HG   ARG  31          2HG       ARG  31   3.760  -3.126   0.771
  250   1HD   ARG  31          1HD       ARG  31   5.604  -3.407  -0.895
  251   2HD   ARG  31          2HD       ARG  31   6.643  -2.405   0.138
  252    HE   ARG  31           HE       ARG  31   5.386  -4.950   1.100
  253   1HH1  ARG  31          1HH1      ARG  31   8.316  -3.980   0.018
  254   2HH1  ARG  31          2HH1      ARG  31   9.193  -4.252   1.487
  255   1HH2  ARG  31          1HH2      ARG  31   6.346  -4.730   3.409
  256   2HH2  ARG  31          2HH2      ARG  31   8.077  -4.676   3.406
  257    H    ILE  32           H        ILE  32   0.924  -0.991  -1.513
  258    HA   ILE  32           HA       ILE  32  -0.347  -3.264  -0.028
  259    HB   ILE  32           HB       ILE  32  -1.585  -1.707  -2.314
  260   1HG1  ILE  32          1HG1      ILE  32  -1.808  -0.929   0.618
  261   2HG1  ILE  32          2HG1      ILE  32  -0.776  -0.078  -0.529
  262   1HG2  ILE  32          2HG2      ILE  32  -2.459  -3.890  -1.074
  263   2HG2  ILE  32          1HG2      ILE  32  -3.036  -2.703   0.096
  264   3HG2  ILE  32          3HG2      ILE  32  -3.568  -2.617  -1.584
  265   1HD1  ILE  32          3HD1      ILE  32  -3.614  -0.518  -1.324
  266   2HD1  ILE  32          2HD1      ILE  32  -3.302   0.687  -0.075
  267   3HD1  ILE  32          1HD1      ILE  32  -2.551   0.849  -1.663
  268    H    GLY  33           H        GLY  33  -0.067  -5.305  -0.950
  269   1HA   GLY  33          2HA       GLY  33   1.119  -6.668  -2.597
  270   2HA   GLY  33          1HA       GLY  33   0.844  -5.394  -3.784
  271    H    LYS  34           H        LYS  34  -0.295  -6.707  -5.313
  272    HA   LYS  34           HA       LYS  34  -2.925  -7.773  -4.326
  273   1HB   LYS  34          1HB       LYS  34  -3.781  -7.177  -6.591
  274   2HB   LYS  34          2HB       LYS  34  -3.195  -5.775  -5.710
  275   1HG   LYS  34          1HG       LYS  34  -1.609  -5.344  -7.261
  276   2HG   LYS  34          2HG       LYS  34  -1.073  -7.018  -7.287
  277   1HD   LYS  34          1HD       LYS  34  -2.439  -7.578  -9.046
  278   2HD   LYS  34          2HD       LYS  34  -3.698  -6.439  -8.563
  279   1HE   LYS  34          1HE       LYS  34  -1.831  -4.640  -9.201
  280   2HE   LYS  34          2HE       LYS  34  -1.262  -5.964 -10.237
  281   1HZ   LYS  34          1HZ       LYS  34  -3.543  -6.231 -11.048
  282   2HZ   LYS  34          3HZ       LYS  34  -4.034  -4.899 -10.120
  283   3HZ   LYS  34          2HZ       LYS  34  -2.935  -4.684 -11.397
  284    H    VAL  35           H        VAL  35  -3.342  -9.953  -4.847
  285    HA   VAL  35           HA       VAL  35  -1.268 -11.308  -6.548
  286    HB   VAL  35           HB       VAL  35  -3.091 -12.352  -4.346
  287   1HG1  VAL  35          2HG1      VAL  35  -2.395 -13.998  -6.156
  288   2HG1  VAL  35          1HG1      VAL  35  -0.728 -13.725  -5.651
  289   3HG1  VAL  35          3HG1      VAL  35  -1.889 -14.423  -4.521
  290   1HG2  VAL  35          3HG2      VAL  35  -0.135 -11.664  -4.408
  291   2HG2  VAL  35          2HG2      VAL  35  -1.383 -10.877  -3.440
  292   3HG2  VAL  35          1HG2      VAL  35  -0.917 -12.542  -3.093
  293    H    VAL  36           H        VAL  36  -2.123 -11.635  -8.622
  294    HA   VAL  36           HA       VAL  36  -5.003 -12.459  -8.814
  295    HB   VAL  36           HB       VAL  36  -3.167 -11.042 -10.775
  296   1HG1  VAL  36          3HG1      VAL  36  -6.117 -11.731 -10.949
  297   2HG1  VAL  36          2HG1      VAL  36  -5.242 -10.725 -12.102
  298   3HG1  VAL  36          1HG1      VAL  36  -4.831 -12.431 -11.931
  299   1HG2  VAL  36          3HG2      VAL  36  -4.303  -9.945  -8.576
  300   2HG2  VAL  36          2HG2      VAL  36  -4.085  -9.055 -10.082
  301   3HG2  VAL  36          1HG2      VAL  36  -5.645  -9.787  -9.708
  302    HA   PRO  37           HA       PRO  37  -2.845 -16.209 -10.181
  303   1HB   PRO  37          1HB       PRO  37  -5.039 -17.842 -10.203
  304   2HB   PRO  37          2HB       PRO  37  -4.149 -17.442  -8.721
  305   1HG   PRO  37          1HG       PRO  37  -6.707 -16.330  -9.750
  306   2HG   PRO  37          2HG       PRO  37  -6.224 -16.702  -8.088
  307   1HD   PRO  37          1HD       PRO  37  -6.242 -14.178  -9.134
  308   2HD   PRO  37          2HD       PRO  37  -5.180 -14.690  -7.804
  309    H    ASN  38           H        ASN  38  -2.401 -16.532 -12.370
  310    HA   ASN  38           HA       ASN  38  -4.556 -15.860 -14.339
  311   1HB   ASN  38          1HB       ASN  38  -2.246 -14.730 -14.281
  312   2HB   ASN  38          2HB       ASN  38  -1.603 -16.268 -14.859
  313   1HD2  ASN  38          2HD2      ASN  38  -3.795 -13.567 -15.754
  314   2HD2  ASN  38          1HD2      ASN  38  -3.811 -13.934 -17.412
  315    HA   PRO  39           HA       PRO  39  -4.634 -20.345 -14.870
  316   1HB   PRO  39          1HB       PRO  39  -6.673 -20.427 -16.694
  317   2HB   PRO  39          2HB       PRO  39  -6.944 -20.237 -14.951
  318   1HG   PRO  39          1HG       PRO  39  -6.961 -18.183 -17.104
  319   2HG   PRO  39          2HG       PRO  39  -8.008 -18.340 -15.685
  320   1HD   PRO  39          1HD       PRO  39  -5.931 -16.582 -15.833
  321   2HD   PRO  39          2HD       PRO  39  -6.522 -17.277 -14.308
  322    H    PHE  40           H        PHE  40  -2.427 -19.730 -16.029
  323    HA   PHE  40           HA       PHE  40  -2.699 -20.491 -18.901
  324   1HB   PHE  40          1HB       PHE  40  -2.670 -18.021 -18.737
  325   2HB   PHE  40          2HB       PHE  40  -1.166 -18.100 -17.821
  326    HD1  PHE  40           HD1      PHE  40   0.943 -18.616 -18.893
  327    HD2  PHE  40           HD2      PHE  40  -2.724 -18.636 -21.130
  328    HE1  PHE  40           HE1      PHE  40   2.234 -18.686 -21.007
  329    HE2  PHE  40           HE2      PHE  40  -1.433 -18.705 -23.246
  330    HZ   PHE  40           HZ       PHE  40   1.047 -18.730 -23.185
  331    H    SER  41           H        SER  41  -0.149 -19.497 -16.515
  332    HA   SER  41           HA       SER  41   1.453 -21.867 -17.422
  333   1HB   SER  41          1HB       SER  41   2.541 -19.725 -17.749
  334   2HB   SER  41          2HB       SER  41   2.163 -19.228 -16.102
  335    HG   SER  41           HG       SER  41   4.217 -19.965 -16.010
  336    H    GLU  42           H        GLU  42   2.568 -23.134 -15.713
  337    HA   GLU  42           HA       GLU  42   0.962 -23.216 -13.193
  338   1HB   GLU  42          1HB       GLU  42   2.918 -25.114 -14.525
  339   2HB   GLU  42          2HB       GLU  42   2.167 -25.437 -12.962
  340   1HG   GLU  42          1HG       GLU  42  -0.058 -25.327 -13.966
  341   2HG   GLU  42          2HG       GLU  42   0.643 -24.898 -15.527
  342    H    SER  43           H        SER  43   4.393 -22.981 -14.275
  343    HA   SER  43           HA       SER  43   5.643 -22.989 -11.714
  344   1HB   SER  43          1HB       SER  43   6.307 -21.529 -14.290
  345   2HB   SER  43          2HB       SER  43   7.397 -21.566 -12.907
  346    HG   SER  43           HG       SER  43   7.632 -23.724 -13.147
  347    H    GLY  44           H        GLY  44   4.112 -20.251 -13.476
  348   1HA   GLY  44          2HA       GLY  44   3.754 -18.030 -12.761
  349   2HA   GLY  44          1HA       GLY  44   4.843 -18.326 -11.406
  350    H    GLY  45           H        GLY  45   1.528 -19.181 -12.562
  351   1HA   GLY  45          2HA       GLY  45   0.688 -19.825  -9.824
  352   2HA   GLY  45          1HA       GLY  45  -0.336 -19.856 -11.261
  353    H    ASP  46           H        ASP  46   1.263 -17.598  -8.957
  354    HA   ASP  46           HA       ASP  46  -0.803 -15.550  -9.690
  355   1HB   ASP  46          1HB       ASP  46  -1.051 -15.146  -7.248
  356   2HB   ASP  46          2HB       ASP  46  -1.476 -16.802  -7.679
  357    H    MET  47           H        MET  47  -0.025 -13.373  -9.634
  358    HA   MET  47           HA       MET  47   2.895 -13.076  -9.000
  359   1HB   MET  47          1HB       MET  47   1.071 -11.808 -11.062
  360   2HB   MET  47          2HB       MET  47   2.706 -11.225 -10.740
  361   1HG   MET  47          1HG       MET  47   2.269 -14.142 -11.301
  362   2HG   MET  47          2HG       MET  47   2.308 -12.999 -12.644
  363   1HE   MET  47          1HE       MET  47   4.252 -11.654 -13.415
  364   2HE   MET  47          3HE       MET  47   5.792 -12.525 -13.423
  365   3HE   MET  47          2HE       MET  47   4.314 -13.338 -13.932
  366    H    LYS  48           H        LYS  48   3.443 -11.459  -7.504
  367    HA   LYS  48           HA       LYS  48   1.221  -9.659  -6.574
  368   1HB   LYS  48          1HB       LYS  48   2.233 -11.522  -5.082
  369   2HB   LYS  48          2HB       LYS  48   3.671 -10.502  -5.012
  370   1HG   LYS  48          1HG       LYS  48   1.888  -8.624  -4.411
  371   2HG   LYS  48          2HG       LYS  48   0.946 -10.017  -3.877
  372   1HD   LYS  48          1HD       LYS  48   3.820  -9.629  -3.032
  373   2HD   LYS  48          2HD       LYS  48   2.485  -8.914  -2.130
  374   1HE   LYS  48          1HE       LYS  48   2.502 -10.923  -1.017
  375   2HE   LYS  48          2HE       LYS  48   1.596 -11.496  -2.431
  376   1HZ   LYS  48          1HZ       LYS  48   4.561 -11.450  -2.226
  377   2HZ   LYS  48          3HZ       LYS  48   3.606 -12.832  -1.993
  378   3HZ   LYS  48          2HZ       LYS  48   3.647 -12.076  -3.514
  379    H    GLU  49           H        GLU  49   1.745  -7.402  -6.390
  380    HA   GLU  49           HA       GLU  49   4.532  -6.619  -7.190
  381   1HB   GLU  49          1HB       GLU  49   1.836  -5.925  -8.296
  382   2HB   GLU  49          2HB       GLU  49   3.096  -4.691  -8.342
  383   1HG   GLU  49          1HG       GLU  49   4.600  -6.280  -9.500
  384   2HG   GLU  49          2HG       GLU  49   3.322  -7.496  -9.476
  385    H    TRP  50           H        TRP  50   5.394  -4.908  -5.928
  386    HA   TRP  50           HA       TRP  50   3.682  -3.915  -3.693
  387   1HB   TRP  50          1HB       TRP  50   6.632  -3.581  -4.329
  388   2HB   TRP  50          2HB       TRP  50   5.853  -3.030  -2.852
  389    HD1  TRP  50           HD1      TRP  50   7.983  -5.622  -3.825
  390    HE1  TRP  50           HE1      TRP  50   7.651  -7.781  -2.467
  391    HE3  TRP  50           HE3      TRP  50   3.369  -4.694  -1.793
  392    HZ2  TRP  50           HZ2      TRP  50   5.691  -8.965  -0.745
  393    HZ3  TRP  50           HZ3      TRP  50   2.309  -6.353  -0.292
  394    HH2  TRP  50           HH2      TRP  50   3.460  -8.487   0.230
  395    H    TYR  51           H        TYR  51   2.563  -1.974  -4.061
  396    HA   TYR  51           HA       TYR  51   4.052   0.123  -5.588
  397   1HB   TYR  51          1HB       TYR  51   1.531   0.875  -6.119
  398   2HB   TYR  51          2HB       TYR  51   2.411  -0.218  -7.159
  399    HD1  TYR  51           HD1      TYR  51  -0.268   0.110  -4.691
  400    HD2  TYR  51           HD2      TYR  51   1.904  -2.607  -7.204
  401    HE1  TYR  51           HE1      TYR  51  -2.043  -1.595  -4.383
  402    HE2  TYR  51           HE2      TYR  51   0.141  -4.316  -6.890
  403    HH   TYR  51           HH       TYR  51  -1.874  -4.461  -4.601
  404    H    HIS  52           H        HIS  52   3.001   2.386  -5.096
  405    HA   HIS  52           HA       HIS  52   2.898   2.623  -2.135
  406   1HB   HIS  52          1HB       HIS  52   2.951   4.612  -4.426
  407   2HB   HIS  52          2HB       HIS  52   3.020   5.068  -2.726
  408    HD2  HIS  52           HD2      HIS  52   5.417   4.172  -1.356
  409    HE1  HIS  52           HE1      HIS  52   7.601   3.528  -4.915
  410    HE2  HIS  52           HE2      HIS  52   7.733   3.743  -2.419
  411    H    ILE  53           H        ILE  53   1.237   4.707  -1.595
  412    HA   ILE  53           HA       ILE  53  -1.446   3.597  -2.207
  413    HB   ILE  53           HB       ILE  53  -0.807   6.100  -0.607
  414   1HG1  ILE  53          1HG1      ILE  53   0.580   4.279   0.341
  415   2HG1  ILE  53          2HG1      ILE  53  -0.755   4.659   1.420
  416   1HG2  ILE  53          3HG2      ILE  53  -3.171   5.556  -1.249
  417   2HG2  ILE  53          2HG2      ILE  53  -3.021   4.043  -0.362
  418   3HG2  ILE  53          1HG2      ILE  53  -2.911   5.576   0.494
  419   1HD1  ILE  53          1HD1      ILE  53  -1.843   2.732  -0.239
  420   2HD1  ILE  53          3HD1      ILE  53  -0.182   2.178  -0.020
  421   3HD1  ILE  53          2HD1      ILE  53  -1.214   2.453   1.385
  422    H    LYS  54           H        LYS  54   0.293   6.743  -2.554
  423    HA   LYS  54           HA       LYS  54  -1.722   8.003  -4.189
  424   1HB   LYS  54          1HB       LYS  54   0.218   9.138  -3.037
  425   2HB   LYS  54          2HB       LYS  54   1.288   8.431  -4.248
  426   1HG   LYS  54          1HG       LYS  54  -0.512   9.535  -5.903
  427   2HG   LYS  54          2HG       LYS  54  -0.703  10.630  -4.533
  428   1HD   LYS  54          1HD       LYS  54   1.899  10.727  -4.543
  429   2HD   LYS  54          2HD       LYS  54   1.757  10.093  -6.184
  430   1HE   LYS  54          1HE       LYS  54   0.505  11.999  -6.917
  431   2HE   LYS  54          2HE       LYS  54   0.239  12.550  -5.252
  432   1HZ   LYS  54          2HZ       LYS  54   2.697  12.666  -5.020
  433   2HZ   LYS  54          1HZ       LYS  54   2.833  12.373  -6.688
  434   3HZ   LYS  54          3HZ       LYS  54   2.066  13.781  -6.136
  435    H    CYS  55           H        CYS  55   1.082   5.931  -5.011
  436    HA   CYS  55           HA       CYS  55   0.903   6.183  -7.874
  437   1HB   CYS  55          1HB       CYS  55   1.891   4.050  -5.976
  438   2HB   CYS  55          2HB       CYS  55   1.899   3.764  -7.706
  439    H    MET  56           H        MET  56  -0.488   3.713  -5.662
  440    HA   MET  56           HA       MET  56  -2.022   2.369  -7.723
  441   1HB   MET  56          1HB       MET  56  -1.333   1.637  -5.302
  442   2HB   MET  56          2HB       MET  56  -2.817   2.455  -4.817
  443   1HG   MET  56          1HG       MET  56  -2.850   0.454  -7.066
  444   2HG   MET  56          2HG       MET  56  -2.934  -0.085  -5.390
  445   1HE   MET  56          2HE       MET  56  -4.627  -0.767  -7.435
  446   2HE   MET  56          1HE       MET  56  -6.246  -0.690  -6.747
  447   3HE   MET  56          3HE       MET  56  -5.803   0.368  -8.093
  448    H    PHE  57           H        PHE  57  -2.908   4.857  -5.289
  449    HA   PHE  57           HA       PHE  57  -5.666   5.044  -6.155
  450   1HB   PHE  57          1HB       PHE  57  -3.788   6.686  -4.494
  451   2HB   PHE  57          2HB       PHE  57  -5.308   7.420  -5.009
  452    HD1  PHE  57           HD1      PHE  57  -7.259   7.020  -3.772
  453    HD2  PHE  57           HD2      PHE  57  -3.978   4.265  -3.466
  454    HE1  PHE  57           HE1      PHE  57  -8.466   5.774  -2.002
  455    HE2  PHE  57           HE2      PHE  57  -5.181   3.021  -1.696
  456    HZ   PHE  57           HZ       PHE  57  -7.430   3.775  -0.963
  457    H    GLU  58           H        GLU  58  -2.658   6.536  -7.361
  458    HA   GLU  58           HA       GLU  58  -3.986   8.589  -8.940
  459   1HB   GLU  58          1HB       GLU  58  -1.564   8.621  -8.317
  460   2HB   GLU  58          2HB       GLU  58  -1.301   7.220  -9.355
  461   1HG   GLU  58          1HG       GLU  58  -0.768   8.882 -10.862
  462   2HG   GLU  58          2HG       GLU  58  -2.508   8.803 -11.144
  463    H    LYS  59           H        LYS  59  -2.882   5.249  -9.640
  464    HA   LYS  59           HA       LYS  59  -3.860   5.340 -12.413
  465   1HB   LYS  59          1HB       LYS  59  -2.986   3.120 -10.532
  466   2HB   LYS  59          2HB       LYS  59  -3.501   2.809 -12.190
  467   1HG   LYS  59          1HG       LYS  59  -1.747   4.690 -12.771
  468   2HG   LYS  59          2HG       LYS  59  -1.064   4.254 -11.204
  469   1HD   LYS  59          1HD       LYS  59   0.062   2.830 -12.711
  470   2HD   LYS  59          2HD       LYS  59  -1.215   1.809 -12.048
  471   1HE   LYS  59          1HE       LYS  59  -2.513   2.964 -14.177
  472   2HE   LYS  59          2HE       LYS  59  -0.861   2.800 -14.806
  473   1HZ   LYS  59          1HZ       LYS  59  -0.876   0.500 -13.879
  474   2HZ   LYS  59          3HZ       LYS  59  -2.534   0.682 -13.570
  475   3HZ   LYS  59          2HZ       LYS  59  -1.959   0.735 -15.168
  476    H    LEU  60           H        LEU  60  -5.048   4.046  -9.291
  477    HA   LEU  60           HA       LEU  60  -7.499   2.902 -10.293
  478   1HB   LEU  60          1HB       LEU  60  -6.511   2.504  -8.027
  479   2HB   LEU  60          2HB       LEU  60  -6.909   4.164  -7.586
  480    HG   LEU  60           HG       LEU  60  -9.323   3.246  -8.542
  481   1HD1  LEU  60          1HD1      LEU  60  -7.709   0.950  -7.545
  482   2HD1  LEU  60          3HD1      LEU  60  -9.379   1.044  -6.988
  483   3HD1  LEU  60          2HD1      LEU  60  -9.029   0.974  -8.715
  484   1HD2  LEU  60          1HD2      LEU  60  -8.070   3.650  -5.877
  485   2HD2  LEU  60          3HD2      LEU  60  -9.535   4.364  -6.551
  486   3HD2  LEU  60          2HD2      LEU  60  -9.576   2.731  -5.886
  487    H    GLU  61           H        GLU  61  -6.665   6.221  -9.169
  488    HA   GLU  61           HA       GLU  61  -9.367   7.261  -9.344
  489   1HB   GLU  61          1HB       GLU  61  -7.481   8.332  -8.104
  490   2HB   GLU  61          2HB       GLU  61  -6.708   8.702  -9.646
  491   1HG   GLU  61          1HG       GLU  61  -9.087   9.783 -10.170
  492   2HG   GLU  61          2HG       GLU  61  -9.150   9.906  -8.411
  493    H    ARG  62           H        ARG  62  -6.757   6.885 -11.756
  494    HA   ARG  62           HA       ARG  62  -8.471   8.249 -13.793
  495   1HB   ARG  62          1HB       ARG  62  -5.563   7.404 -13.685
  496   2HB   ARG  62          2HB       ARG  62  -6.316   8.080 -15.130
  497   1HG   ARG  62          1HG       ARG  62  -6.882  10.129 -13.922
  498   2HG   ARG  62          2HG       ARG  62  -6.237   9.452 -12.426
  499   1HD   ARG  62          1HD       ARG  62  -4.471  10.815 -13.277
  500   2HD   ARG  62          2HD       ARG  62  -4.018   9.167 -13.752
  501    HE   ARG  62           HE       ARG  62  -5.112   9.667 -15.979
  502   1HH1  ARG  62          1HH1      ARG  62  -6.213  11.742 -16.810
  503   2HH1  ARG  62          2HH1      ARG  62  -5.169  13.123 -16.774
  504   1HH2  ARG  62          1HH2      ARG  62  -2.854  11.648 -14.655
  505   2HH2  ARG  62          2HH2      ARG  62  -3.267  13.070 -15.553
  506    H    ALA  63           H        ALA  63  -8.601   5.203 -12.695
  507    HA   ALA  63           HA       ALA  63  -8.850   4.052 -15.443
  508   1HB   ALA  63          3HB       ALA  63  -7.775   2.522 -13.072
  509   2HB   ALA  63          2HB       ALA  63  -7.600   2.149 -14.786
  510   3HB   ALA  63          1HB       ALA  63  -6.706   3.496 -14.081
  511    H    ARG  64           H        ARG  64 -11.185   4.076 -15.370
  512    HA   ARG  64           HA       ARG  64 -12.392   2.414 -13.176
  513   1HB   ARG  64          1HB       ARG  64 -13.378   4.873 -14.651
  514   2HB   ARG  64          2HB       ARG  64 -14.405   3.905 -13.594
  515   1HG   ARG  64          1HG       ARG  64 -13.655   5.402 -12.023
  516   2HG   ARG  64          2HG       ARG  64 -12.310   4.263 -11.940
  517   1HD   ARG  64          1HD       ARG  64 -10.853   5.719 -12.943
  518   2HD   ARG  64          2HD       ARG  64 -12.089   6.337 -14.055
  519    HE   ARG  64           HE       ARG  64 -11.862   7.151 -11.183
  520   1HH1  ARG  64          1HH1      ARG  64 -11.200   9.489 -12.122
  521   2HH1  ARG  64          2HH1      ARG  64 -12.570  10.250 -12.860
  522   1HH2  ARG  64          1HH2      ARG  64 -14.389   7.310 -13.133
  523   2HH2  ARG  64          2HH2      ARG  64 -14.375   9.016 -13.432
  524    H    ALA  65           H        ALA  65 -12.621   0.408 -14.292
  525    HA   ALA  65           HA       ALA  65 -13.669   0.432 -17.078
  526   1HB   ALA  65          3HB       ALA  65 -12.986  -1.892 -15.243
  527   2HB   ALA  65          1HB       ALA  65 -11.820  -1.088 -16.294
  528   3HB   ALA  65          2HB       ALA  65 -13.185  -1.958 -16.994
  529    H    THR  66           H        THR  66 -14.730  -0.589 -13.798
  530    HA   THR  66           HA       THR  66 -17.546  -0.303 -14.583
  531    HB   THR  66           HB       THR  66 -16.482  -3.049 -13.864
  532    HG1  THR  66           HG1      THR  66 -17.172  -2.010 -16.432
  533   1HG2  THR  66          1HG2      THR  66 -19.156  -1.924 -14.642
  534   2HG2  THR  66          3HG2      THR  66 -18.778  -3.614 -14.975
  535   3HG2  THR  66          2HG2      THR  66 -18.753  -3.015 -13.317
  536    H    THR  67           H        THR  67 -15.523  -2.089 -12.166
  537    HA   THR  67           HA       THR  67 -17.192  -0.823 -10.018
  538    HB   THR  67           HB       THR  67 -17.419  -3.284 -10.299
  539    HG1  THR  67           HG1      THR  67 -17.667  -2.535  -8.241
  540   1HG2  THR  67          1HG2      THR  67 -14.531  -3.119 -10.495
  541   2HG2  THR  67          3HG2      THR  67 -15.002  -4.239  -9.216
  542   3HG2  THR  67          2HG2      THR  67 -15.595  -4.478 -10.860
  543    H    LYS  68           H        LYS  68 -15.971  -0.396  -7.934
  544    HA   LYS  68           HA       LYS  68 -13.226   0.604  -8.558
  545   1HB   LYS  68          1HB       LYS  68 -14.951   2.099  -7.548
  546   2HB   LYS  68          2HB       LYS  68 -15.028   1.030  -6.147
  547   1HG   LYS  68          1HG       LYS  68 -12.395   1.416  -6.146
  548   2HG   LYS  68          2HG       LYS  68 -12.848   2.897  -6.991
  549   1HD   LYS  68          1HD       LYS  68 -14.622   3.114  -5.058
  550   2HD   LYS  68          2HD       LYS  68 -13.529   2.029  -4.199
  551   1HE   LYS  68          1HE       LYS  68 -11.736   3.824  -5.199
  552   2HE   LYS  68          2HE       LYS  68 -13.147   4.871  -4.943
  553   1HZ   LYS  68          3HZ       LYS  68 -13.381   3.814  -2.721
  554   2HZ   LYS  68          2HZ       LYS  68 -11.887   3.043  -2.970
  555   3HZ   LYS  68          1HZ       LYS  68 -11.968   4.738  -2.888
  556    H    LYS  69           H        LYS  69 -11.376  -0.088  -7.336
  557    HA   LYS  69           HA       LYS  69 -11.775  -2.664  -5.867
  558   1HB   LYS  69          1HB       LYS  69  -9.866  -1.596  -7.729
  559   2HB   LYS  69          2HB       LYS  69  -9.016  -1.959  -6.229
  560   1HG   LYS  69          1HG       LYS  69  -9.784  -4.243  -6.256
  561   2HG   LYS  69          2HG       LYS  69 -10.880  -3.914  -7.599
  562   1HD   LYS  69          1HD       LYS  69  -7.956  -3.348  -7.950
  563   2HD   LYS  69          2HD       LYS  69  -8.519  -5.018  -8.049
  564   1HE   LYS  69          1HE       LYS  69  -9.838  -4.601  -9.944
  565   2HE   LYS  69          2HE       LYS  69  -9.939  -2.862  -9.608
  566   1HZ   LYS  69          1HZ       LYS  69  -7.416  -4.295 -10.246
  567   2HZ   LYS  69          3HZ       LYS  69  -8.322  -3.423 -11.385
  568   3HZ   LYS  69          2HZ       LYS  69  -7.619  -2.617 -10.064
  569    H    ILE  70           H        ILE  70 -10.524  -2.980  -3.803
  570    HA   ILE  70           HA       ILE  70  -9.964  -2.295  -1.622
  571    HB   ILE  70           HB       ILE  70  -8.928   0.097  -3.186
  572   1HG1  ILE  70          1HG1      ILE  70  -7.510  -2.459  -2.361
  573   2HG1  ILE  70          2HG1      ILE  70  -8.112  -2.137  -3.987
  574   1HG2  ILE  70          1HG2      ILE  70  -9.032   0.462  -0.739
  575   2HG2  ILE  70          3HG2      ILE  70  -8.121  -1.025  -0.484
  576   3HG2  ILE  70          2HG2      ILE  70  -7.364   0.344  -1.298
  577   1HD1  ILE  70          1HD1      ILE  70  -6.404  -0.021  -2.793
  578   2HD1  ILE  70          3HD1      ILE  70  -5.591  -1.532  -3.206
  579   3HD1  ILE  70          2HD1      ILE  70  -6.455  -0.627  -4.450
  580    H    GLU  71           H        GLU  71 -12.011  -1.938  -0.620
  581    HA   GLU  71           HA       GLU  71 -13.173   0.816  -0.913
  582   1HB   GLU  71          1HB       GLU  71 -14.329  -1.871  -0.096
  583   2HB   GLU  71          2HB       GLU  71 -15.235  -0.359  -0.027
  584   1HG   GLU  71          1HG       GLU  71 -15.409  -0.195  -2.313
  585   2HG   GLU  71          2HG       GLU  71 -13.854  -0.981  -2.591
  586    H    ASP  72           H        ASP  72 -13.211   2.133   0.946
  587    HA   ASP  72           HA       ASP  72 -12.741   2.801   3.162
  588   1HB   ASP  72          1HB       ASP  72 -14.624   0.817   3.143
  589   2HB   ASP  72          2HB       ASP  72 -13.410   0.108   4.206
  590    H    LEU  73           H        LEU  73 -11.675   1.400   5.376
  591    HA   LEU  73           HA       LEU  73  -9.074   0.382   4.274
  592   1HB   LEU  73          1HB       LEU  73  -9.139   2.692   5.324
  593   2HB   LEU  73          2HB       LEU  73  -9.551   1.908   6.850
  594    HG   LEU  73           HG       LEU  73  -7.469   0.549   6.679
  595   1HD1  LEU  73          1HD1      LEU  73  -7.096   2.246   4.202
  596   2HD1  LEU  73          3HD1      LEU  73  -5.754   1.427   5.003
  597   3HD1  LEU  73          2HD1      LEU  73  -7.080   0.487   4.320
  598   1HD2  LEU  73          3HD2      LEU  73  -7.562   2.754   7.888
  599   2HD2  LEU  73          2HD2      LEU  73  -5.956   2.342   7.287
  600   3HD2  LEU  73          1HD2      LEU  73  -6.942   3.522   6.427
  601    H    THR  74           H        THR  74 -10.960  -1.589   4.706
  602    HA   THR  74           HA       THR  74  -9.829  -3.001   7.057
  603    HB   THR  74           HB       THR  74 -12.505  -3.476   7.436
  604    HG1  THR  74           HG1      THR  74 -13.585  -1.572   7.167
  605   1HG2  THR  74          2HG2      THR  74 -10.835  -2.871   9.157
  606   2HG2  THR  74          1HG2      THR  74 -10.896  -1.194   8.616
  607   3HG2  THR  74          3HG2      THR  74 -12.320  -1.939   9.343
  608    H    GLU  75           H        GLU  75  -9.689  -3.477   4.137
  609    HA   GLU  75           HA       GLU  75 -11.044  -6.149   4.074
  610   1HB   GLU  75          1HB       GLU  75 -11.851  -3.959   2.656
  611   2HB   GLU  75          2HB       GLU  75 -10.703  -4.676   1.525
  612   1HG   GLU  75          1HG       GLU  75 -12.674  -6.484   2.863
  613   2HG   GLU  75          2HG       GLU  75 -13.250  -5.444   1.559
  614    H    LEU  76           H        LEU  76  -8.164  -5.314   4.687
  615    HA   LEU  76           HA       LEU  76  -6.866  -6.911   2.518
  616   1HB   LEU  76          1HB       LEU  76  -5.864  -4.370   3.851
  617   2HB   LEU  76          2HB       LEU  76  -4.969  -5.313   2.661
  618    HG   LEU  76           HG       LEU  76  -7.648  -3.970   2.182
  619   1HD1  LEU  76          1HD1      LEU  76  -5.272  -2.701   2.359
  620   2HD1  LEU  76          3HD1      LEU  76  -5.190  -3.232   0.678
  621   3HD1  LEU  76          2HD1      LEU  76  -6.526  -2.215   1.218
  622   1HD2  LEU  76          2HD2      LEU  76  -6.187  -6.055   0.754
  623   2HD2  LEU  76          1HD2      LEU  76  -7.808  -5.431   0.458
  624   3HD2  LEU  76          3HD2      LEU  76  -6.414  -4.629  -0.258
  625    H    GLU  77           H        GLU  77  -4.961  -8.124   3.296
  626    HA   GLU  77           HA       GLU  77  -5.203  -8.858   6.159
  627   1HB   GLU  77          1HB       GLU  77  -3.330  -9.878   3.991
  628   2HB   GLU  77          2HB       GLU  77  -3.654 -10.661   5.538
  629   1HG   GLU  77          1HG       GLU  77  -5.735 -10.125   3.397
  630   2HG   GLU  77          2HG       GLU  77  -4.955 -11.681   3.679
  631    H    GLY  78           H        GLY  78  -4.213  -7.300   7.519
  632   1HA   GLY  78          2HA       GLY  78  -1.579  -6.213   6.712
  633   2HA   GLY  78          1HA       GLY  78  -1.623  -7.188   8.175
  634    H    TRP  79           H        TRP  79  -4.190  -4.902   7.123
  635    HA   TRP  79           HA       TRP  79  -3.334  -2.671   8.681
  636   1HB   TRP  79          1HB       TRP  79  -5.605  -1.852   8.425
  637   2HB   TRP  79          2HB       TRP  79  -5.175  -2.711   6.952
  638    HD1  TRP  79           HD1      TRP  79  -6.752  -4.587   6.211
  639    HE1  TRP  79           HE1      TRP  79  -8.759  -5.813   7.260
  640    HE3  TRP  79           HE3      TRP  79  -6.578  -2.675  10.945
  641    HZ2  TRP  79           HZ2      TRP  79 -10.116  -5.960   9.771
  642    HZ3  TRP  79           HZ3      TRP  79  -8.245  -3.372  12.641
  643    HH2  TRP  79           HH2      TRP  79 -10.013  -5.011  12.060
  644    H    GLU  80           H        GLU  80  -5.168  -5.561   9.713
  645    HA   GLU  80           HA       GLU  80  -5.747  -4.493  12.378
  646   1HB   GLU  80          1HB       GLU  80  -7.067  -6.280  11.237
  647   2HB   GLU  80          2HB       GLU  80  -5.683  -7.363  11.379
  648   1HG   GLU  80          1HG       GLU  80  -6.722  -7.970  13.326
  649   2HG   GLU  80          2HG       GLU  80  -5.890  -6.546  13.953
  650    H    GLU  81           H        GLU  81  -3.027  -6.339  10.972
  651    HA   GLU  81           HA       GLU  81  -1.881  -6.734  13.700
  652   1HB   GLU  81          1HB       GLU  81  -1.257  -7.783  10.934
  653   2HB   GLU  81          2HB       GLU  81  -0.188  -8.076  12.307
  654   1HG   GLU  81          1HG       GLU  81  -2.056  -9.110  13.546
  655   2HG   GLU  81          2HG       GLU  81  -3.126  -8.821  12.174
  656    H    LEU  82           H        LEU  82  -1.329  -4.757  10.778
  657    HA   LEU  82           HA       LEU  82   1.413  -4.038  11.516
  658   1HB   LEU  82          1HB       LEU  82  -0.608  -2.787   9.622
  659   2HB   LEU  82          2HB       LEU  82   1.095  -2.337   9.705
  660    HG   LEU  82           HG       LEU  82   0.199  -5.186   9.232
  661   1HD1  LEU  82          3HD1      LEU  82   0.349  -2.881   7.365
  662   2HD1  LEU  82          2HD1      LEU  82   1.096  -4.378   6.806
  663   3HD1  LEU  82          1HD1      LEU  82  -0.609  -4.358   7.256
  664   1HD2  LEU  82          1HD2      LEU  82   2.764  -3.685   9.317
  665   2HD2  LEU  82          3HD2      LEU  82   2.430  -5.367   9.729
  666   3HD2  LEU  82          2HD2      LEU  82   2.613  -4.892   8.041
  667    H    GLU  83           H        GLU  83   1.703  -1.367  11.553
  668    HA   GLU  83           HA       GLU  83   0.792  -0.560  14.165
  669   1HB   GLU  83          1HB       GLU  83   1.968   0.918  11.798
  670   2HB   GLU  83          2HB       GLU  83   1.595   1.740  13.313
  671   1HG   GLU  83          1HG       GLU  83   2.950  -0.362  14.303
  672   2HG   GLU  83          2HG       GLU  83   3.715  -0.263  12.718
  673    H    ASP  84           H        ASP  84  -0.806   1.079  14.756
  674    HA   ASP  84           HA       ASP  84  -3.143   1.114  12.929
  675   1HB   ASP  84          1HB       ASP  84  -2.585   1.832  15.797
  676   2HB   ASP  84          2HB       ASP  84  -4.057   2.422  15.026
  677    H    ASN  85           H        ASN  85  -0.874   3.459  14.410
  678    HA   ASN  85           HA       ASN  85  -2.127   5.849  13.438
  679   1HB   ASN  85          1HB       ASN  85   0.756   5.137  14.049
  680   2HB   ASN  85          2HB       ASN  85   0.253   6.777  13.638
  681   1HD2  ASN  85          2HD2      ASN  85   1.132   5.275  16.328
  682   2HD2  ASN  85          1HD2      ASN  85  -0.023   5.847  17.432
  683    H    GLU  86           H        GLU  86   0.551   3.946  11.964
  684    HA   GLU  86           HA       GLU  86   0.688   5.486   9.531
  685   1HB   GLU  86          1HB       GLU  86   1.338   2.578  10.138
  686   2HB   GLU  86          2HB       GLU  86   1.780   3.383   8.633
  687   1HG   GLU  86          1HG       GLU  86   3.180   4.960   9.791
  688   2HG   GLU  86          2HG       GLU  86   2.587   4.417  11.362
  689    H    LYS  87           H        LYS  87  -1.271   2.622  10.422
  690    HA   LYS  87           HA       LYS  87  -2.454   2.149   7.852
  691   1HB   LYS  87          1HB       LYS  87  -2.616   0.636   9.833
  692   2HB   LYS  87          2HB       LYS  87  -3.676   1.806  10.617
  693   1HG   LYS  87          1HG       LYS  87  -4.529   1.078   7.892
  694   2HG   LYS  87          2HG       LYS  87  -4.532  -0.275   9.023
  695   1HD   LYS  87          1HD       LYS  87  -5.813   2.397   9.647
  696   2HD   LYS  87          2HD       LYS  87  -6.696   1.047   8.932
  697   1HE   LYS  87          1HE       LYS  87  -6.502  -0.275  10.864
  698   2HE   LYS  87          2HE       LYS  87  -5.098   0.633  11.458
  699   1HZ   LYS  87          1HZ       LYS  87  -7.847   1.724  11.155
  700   2HZ   LYS  87          3HZ       LYS  87  -7.131   1.280  12.627
  701   3HZ   LYS  87          2HZ       LYS  87  -6.496   2.577  11.732
  702    H    GLU  88           H        GLU  88  -3.433   4.348  10.510
  703    HA   GLU  88           HA       GLU  88  -5.904   5.281   9.445
  704   1HB   GLU  88          1HB       GLU  88  -4.737   5.813  11.684
  705   2HB   GLU  88          2HB       GLU  88  -3.861   7.062  10.797
  706   1HG   GLU  88          1HG       GLU  88  -5.941   8.148  10.166
  707   2HG   GLU  88          2HG       GLU  88  -6.883   6.842  10.886
  708    H    GLN  89           H        GLN  89  -2.562   6.194   8.531
  709    HA   GLN  89           HA       GLN  89  -3.145   8.515   6.973
  710   1HB   GLN  89          1HB       GLN  89  -0.892   7.216   7.627
  711   2HB   GLN  89          2HB       GLN  89  -1.101   6.545   6.009
  712   1HG   GLN  89          1HG       GLN  89  -1.546   9.118   5.420
  713   2HG   GLN  89          2HG       GLN  89  -0.522   9.352   6.837
  714   1HE2  GLN  89          1HE2      GLN  89   1.280  10.151   5.438
  715   2HE2  GLN  89          2HE2      GLN  89   2.169   9.056   4.494
  716    H    ILE  90           H        ILE  90  -3.362   5.051   6.085
  717    HA   ILE  90           HA       ILE  90  -3.876   5.456   3.271
  718    HB   ILE  90           HB       ILE  90  -4.853   3.260   5.142
  719   1HG1  ILE  90          1HG1      ILE  90  -2.566   2.797   3.315
  720   2HG1  ILE  90          2HG1      ILE  90  -2.247   3.940   4.619
  721   1HG2  ILE  90          3HG2      ILE  90  -6.025   3.366   2.936
  722   2HG2  ILE  90          2HG2      ILE  90  -4.461   3.238   2.133
  723   3HG2  ILE  90          1HG2      ILE  90  -5.056   1.904   3.121
  724   1HD1  ILE  90          2HD1      ILE  90  -3.473   2.065   6.070
  725   2HD1  ILE  90          1HD1      ILE  90  -2.895   1.027   4.766
  726   3HD1  ILE  90          3HD1      ILE  90  -1.748   1.970   5.716
  727    H    THR  91           H        THR  91  -6.065   5.476   6.125
  728    HA   THR  91           HA       THR  91  -8.555   5.539   4.710
  729    HB   THR  91           HB       THR  91  -7.849   7.048   7.251
  730    HG1  THR  91           HG1      THR  91  -8.210   5.149   8.307
  731   1HG2  THR  91          3HG2      THR  91 -10.440   5.824   6.262
  732   2HG2  THR  91          2HG2      THR  91 -10.215   6.634   7.813
  733   3HG2  THR  91          1HG2      THR  91 -10.071   7.548   6.312
  734    H    GLN  92           H        GLN  92  -6.259   8.169   5.492
  735    HA   GLN  92           HA       GLN  92  -7.846  10.394   4.642
  736   1HB   GLN  92          1HB       GLN  92  -5.367  10.112   5.676
  737   2HB   GLN  92          2HB       GLN  92  -4.927  10.352   3.985
  738   1HG   GLN  92          1HG       GLN  92  -5.766  12.509   3.928
  739   2HG   GLN  92          2HG       GLN  92  -6.951  12.194   5.196
  740   1HE2  GLN  92          1HE2      GLN  92  -3.877  13.622   4.608
  741   2HE2  GLN  92          2HE2      GLN  92  -3.382  13.753   6.225
  742    H    HIS  93           H        HIS  93  -5.818   8.124   2.729
  743    HA   HIS  93           HA       HIS  93  -5.947   9.474   0.205
  744   1HB   HIS  93          1HB       HIS  93  -5.598   6.648   1.146
  745   2HB   HIS  93          2HB       HIS  93  -5.922   6.901  -0.566
  746    HD1  HIS  93           HD1      HIS  93  -4.010   7.707  -1.993
  747    HD2  HIS  93           HD2      HIS  93  -3.159   7.972   2.077
  748    HE1  HIS  93           HE1      HIS  93  -1.535   8.205  -1.809
  749    H    ILE  94           H        ILE  94  -8.111   6.853   1.456
  750    HA   ILE  94           HA       ILE  94  -9.978   7.000  -0.736
  751    HB   ILE  94           HB       ILE  94 -10.299   6.113   2.156
  752   1HG1  ILE  94          1HG1      ILE  94 -10.384   3.937   0.339
  753   2HG1  ILE  94          2HG1      ILE  94  -9.058   4.959  -0.207
  754   1HG2  ILE  94          1HG2      ILE  94 -12.489   6.667   1.063
  755   2HG2  ILE  94          3HG2      ILE  94 -12.109   5.495  -0.199
  756   3HG2  ILE  94          2HG2      ILE  94 -12.327   4.958   1.467
  757   1HD1  ILE  94          3HD1      ILE  94  -9.323   4.316   2.715
  758   2HD1  ILE  94          2HD1      ILE  94  -8.613   3.129   1.619
  759   3HD1  ILE  94          1HD1      ILE  94  -7.876   4.722   1.791
  760    H    ALA  95           H        ALA  95  -9.832   8.763   2.378
  761    HA   ALA  95           HA       ALA  95 -12.376  10.104   2.099
  762   1HB   ALA  95          2HB       ALA  95 -11.064  11.825   3.630
  763   2HB   ALA  95          3HB       ALA  95  -9.839  10.557   3.647
  764   3HB   ALA  95          1HB       ALA  95 -11.462  10.224   4.252
  765    H    ASP  96           H        ASP  96  -9.072  10.958   0.998
  766    HA   ASP  96           HA       ASP  96  -9.678  13.608   0.054
  767   1HB   ASP  96          1HB       ASP  96  -7.410  12.343   0.296
  768   2HB   ASP  96          2HB       ASP  96  -7.749  11.729  -1.322
  769    H    LEU  97           H        LEU  97  -9.995  10.407  -1.549
  770    HA   LEU  97           HA       LEU  97 -10.821  11.522  -4.119
  771   1HB   LEU  97          1HB       LEU  97 -10.800   8.824  -2.795
  772   2HB   LEU  97          2HB       LEU  97 -11.744   9.032  -4.270
  773    HG   LEU  97           HG       LEU  97  -9.629  10.090  -5.278
  774   1HD1  LEU  97          2HD1      LEU  97  -8.432   8.707  -2.857
  775   2HD1  LEU  97          1HD1      LEU  97  -7.512   9.368  -4.208
  776   3HD1  LEU  97          3HD1      LEU  97  -8.434  10.445  -3.158
  777   1HD2  LEU  97          2HD2      LEU  97  -9.736   7.166  -4.483
  778   2HD2  LEU  97          1HD2      LEU  97 -10.353   7.887  -5.969
  779   3HD2  LEU  97          3HD2      LEU  97  -8.614   7.811  -5.682
  780    H    SER  98           H        SER  98 -12.593  10.450  -1.187
  781    HA   SER  98           HA       SER  98 -15.180  11.068  -2.558
  782   1HB   SER  98          1HB       SER  98 -14.864   8.902  -1.358
  783   2HB   SER  98          2HB       SER  98 -14.568   9.793   0.134
  784    HG   SER  98           HG       SER  98 -16.704   9.347   0.168
  785    H    SER  99           H        SER  99 -14.095  13.469  -2.291
  786    HA   SER  99           HA       SER  99 -15.253  14.588   0.240
  787   1HB   SER  99          1HB       SER  99 -12.776  14.415   0.312
  788   2HB   SER  99          2HB       SER  99 -12.676  15.358  -1.172
  789    HG   SER  99           HG       SER  99 -12.478  16.829   0.426
  790    H    LYS 100           H        LYS 100 -16.585  14.454  -2.364
  791    HA   LYS 100           HA       LYS 100 -16.807  17.382  -2.914
  792   1HB   LYS 100          1HB       LYS 100 -16.332  15.121  -4.878
  793   2HB   LYS 100          2HB       LYS 100 -16.867  16.728  -5.373
  794   1HG   LYS 100          1HG       LYS 100 -14.817  17.547  -3.949
  795   2HG   LYS 100          2HG       LYS 100 -14.239  15.896  -4.179
  796   1HD   LYS 100          1HD       LYS 100 -14.975  16.449  -6.713
  797   2HD   LYS 100          2HD       LYS 100 -14.574  18.080  -6.172
  798   1HE   LYS 100          1HE       LYS 100 -12.714  15.711  -5.785
  799   2HE   LYS 100          2HE       LYS 100 -12.611  16.822  -7.166
  800   1HZ   LYS 100          3HZ       LYS 100 -12.508  18.675  -5.585
  801   2HZ   LYS 100          2HZ       LYS 100 -12.500  17.575  -4.291
  802   3HZ   LYS 100          1HZ       LYS 100 -11.202  17.612  -5.386
  803    H    ALA 101           H        ALA 101 -18.989  18.000  -3.092
  804    HA   ALA 101           HA       ALA 101 -21.000  15.889  -3.747
  805   1HB   ALA 101          3HB       ALA 101 -21.628  17.810  -1.563
  806   2HB   ALA 101          2HB       ALA 101 -22.049  16.104  -1.711
  807   3HB   ALA 101          1HB       ALA 101 -20.431  16.571  -1.190
  808    H    ALA 102           H        ALA 102 -22.312  16.709  -5.383
  809    HA   ALA 102           HA       ALA 102 -23.043  19.600  -5.301
  810   1HB   ALA 102          3HB       ALA 102 -21.589  18.081  -7.467
  811   2HB   ALA 102          2HB       ALA 102 -22.529  19.524  -7.851
  812   3HB   ALA 102          1HB       ALA 102 -21.164  19.631  -6.740
  813    H    GLY 103           H        GLY 103 -25.150  18.449  -4.618
  814   1HA   GLY 103          2HA       GLY 103 -26.891  18.151  -6.914
  815   2HA   GLY 103          1HA       GLY 103 -27.349  17.889  -5.230
  816    H    THR 104           H        THR 104 -28.257  15.815  -5.217
  817    HA   THR 104           HA       THR 104 -26.875  13.662  -6.753
  818    HB   THR 104           HB       THR 104 -27.583  13.514  -3.805
  819    HG1  THR 104           HG1      THR 104 -25.038  13.914  -5.038
  820   1HG2  THR 104          3HG2      THR 104 -26.485  11.630  -5.824
  821   2HG2  THR 104          2HG2      THR 104 -25.741  11.586  -4.225
  822   3HG2  THR 104          1HG2      THR 104 -27.474  11.306  -4.400
  823    HA   PRO 105           HA       PRO 105 -31.580  13.475  -6.560
  824   1HB   PRO 105          1HB       PRO 105 -32.087  13.840  -9.224
  825   2HB   PRO 105          2HB       PRO 105 -31.984  15.184  -8.069
  826   1HG   PRO 105          1HG       PRO 105 -29.963  14.207 -10.018
  827   2HG   PRO 105          2HG       PRO 105 -30.360  15.864  -9.537
  828   1HD   PRO 105          1HD       PRO 105 -28.185  14.497  -8.610
  829   2HD   PRO 105          2HD       PRO 105 -28.993  15.798  -7.707
  830    H    LYS 106           H        LYS 106 -32.053  11.264  -6.439
  831    HA   LYS 106           HA       LYS 106 -31.380   9.562  -8.798
  832   1HB   LYS 106          1HB       LYS 106 -29.719   9.637  -6.709
  833   2HB   LYS 106          2HB       LYS 106 -30.900   8.513  -6.036
  834   1HG   LYS 106          1HG       LYS 106 -30.668   7.079  -8.041
  835   2HG   LYS 106          2HG       LYS 106 -29.461   8.192  -8.687
  836   1HD   LYS 106          1HD       LYS 106 -29.152   6.907  -5.970
  837   2HD   LYS 106          2HD       LYS 106 -28.567   6.131  -7.441
  838   1HE   LYS 106          1HE       LYS 106 -27.193   8.143  -7.945
  839   2HE   LYS 106          2HE       LYS 106 -27.743   8.876  -6.425
  840   1HZ   LYS 106          2HZ       LYS 106 -26.939   6.888  -5.256
  841   2HZ   LYS 106          1HZ       LYS 106 -26.313   6.286  -6.717
  842   3HZ   LYS 106          3HZ       LYS 106 -25.680   7.710  -6.046
  843    H    LYS 107           H        LYS 107 -32.852   7.753  -9.043
  844    HA   LYS 107           HA       LYS 107 -35.068   7.593  -7.032
  845   1HB   LYS 107          1HB       LYS 107 -35.201   7.835 -10.053
  846   2HB   LYS 107          2HB       LYS 107 -36.589   7.412  -9.050
  847   1HG   LYS 107          1HG       LYS 107 -34.942   9.924  -8.654
  848   2HG   LYS 107          2HG       LYS 107 -36.429   9.869  -9.603
  849   1HD   LYS 107          1HD       LYS 107 -37.563   8.889  -7.544
  850   2HD   LYS 107          2HD       LYS 107 -36.103   9.312  -6.647
  851   1HE   LYS 107          1HE       LYS 107 -37.386  11.242  -6.324
  852   2HE   LYS 107          2HE       LYS 107 -36.503  11.687  -7.799
  853   1HZ   LYS 107          1HZ       LYS 107 -38.313  10.783  -9.119
  854   2HZ   LYS 107          3HZ       LYS 107 -39.164  10.363  -7.713
  855   3HZ   LYS 107          2HZ       LYS 107 -38.893  11.999  -8.084
  856    H    LYS 108           H        LYS 108 -35.799   5.440  -6.663
  857    HA   LYS 108           HA       LYS 108 -34.465   3.307  -8.306
  858   1HB   LYS 108          1HB       LYS 108 -35.029   3.645  -5.363
  859   2HB   LYS 108          2HB       LYS 108 -34.779   2.038  -6.045
  860   1HG   LYS 108          1HG       LYS 108 -32.805   4.132  -6.804
  861   2HG   LYS 108          2HG       LYS 108 -32.742   3.550  -5.140
  862   1HD   LYS 108          1HD       LYS 108 -32.775   1.185  -6.116
  863   2HD   LYS 108          2HD       LYS 108 -32.464   1.936  -7.681
  864   1HE   LYS 108          1HE       LYS 108 -30.293   2.451  -7.144
  865   2HE   LYS 108          2HE       LYS 108 -30.697   2.820  -5.456
  866   1HZ   LYS 108          2HZ       LYS 108 -31.077   0.438  -5.093
  867   2HZ   LYS 108          1HZ       LYS 108 -30.572   0.115  -6.683
  868   3HZ   LYS 108          3HZ       LYS 108 -29.474   0.754  -5.559
  869    H    ALA 109           H        ALA 109 -36.271   2.894  -9.735
  870    HA   ALA 109           HA       ALA 109 -38.734   1.867  -8.359
  871   1HB   ALA 109          2HB       ALA 109 -39.937   2.815 -10.364
  872   2HB   ALA 109          1HB       ALA 109 -39.163   4.041  -9.359
  873   3HB   ALA 109          3HB       ALA 109 -38.409   3.536 -10.872
  874    H    VAL 110           H        VAL 110 -38.597  -0.381  -8.675
  875    HA   VAL 110           HA       VAL 110 -37.980  -1.312 -11.464
  876    HB   VAL 110           HB       VAL 110 -37.229  -2.547  -8.789
  877   1HG1  VAL 110          1HG1      VAL 110 -37.667  -4.230 -10.546
  878   2HG1  VAL 110          3HG1      VAL 110 -36.553  -3.391 -11.625
  879   3HG1  VAL 110          2HG1      VAL 110 -35.949  -4.155 -10.156
  880   1HG2  VAL 110          2HG2      VAL 110 -35.768  -0.869 -10.809
  881   2HG2  VAL 110          1HG2      VAL 110 -35.712  -0.791  -9.048
  882   3HG2  VAL 110          3HG2      VAL 110 -34.876  -2.090  -9.900
  883    H    VAL 111           H        VAL 111 -39.778  -2.367 -12.320
  884    HA   VAL 111           HA       VAL 111 -41.520  -3.911 -10.429
  885    HB   VAL 111           HB       VAL 111 -42.347  -2.057 -12.692
  886   1HG1  VAL 111          2HG1      VAL 111 -43.853  -4.004 -12.424
  887   2HG1  VAL 111          1HG1      VAL 111 -44.021  -3.632 -10.709
  888   3HG1  VAL 111          3HG1      VAL 111 -44.643  -2.510 -11.920
  889   1HG2  VAL 111          2HG2      VAL 111 -41.547  -0.891 -10.645
  890   2HG2  VAL 111          1HG2      VAL 111 -43.277  -0.660 -10.895
  891   3HG2  VAL 111          3HG2      VAL 111 -42.707  -1.811  -9.686
  892    H    GLN 112           H        GLN 112 -41.021  -6.035 -11.118
  893    HA   GLN 112           HA       GLN 112 -41.397  -6.596 -14.040
  894   1HB   GLN 112          1HB       GLN 112 -39.176  -7.270 -12.134
  895   2HB   GLN 112          2HB       GLN 112 -39.534  -8.384 -13.454
  896   1HG   GLN 112          1HG       GLN 112 -39.507  -6.178 -14.909
  897   2HG   GLN 112          2HG       GLN 112 -38.529  -5.561 -13.576
  898   1HE2  GLN 112          1HE2      GLN 112 -38.040  -6.802 -16.557
  899   2HE2  GLN 112          2HE2      GLN 112 -36.636  -7.717 -16.284
  900    H    ALA 113           H        ALA 113 -43.304  -7.832 -14.059
  901    HA   ALA 113           HA       ALA 113 -43.573  -9.960 -11.958
  902   1HB   ALA 113          1HB       ALA 113 -45.181  -7.820 -12.405
  903   2HB   ALA 113          3HB       ALA 113 -45.925  -8.990 -13.495
  904   3HB   ALA 113          2HB       ALA 113 -45.782  -9.354 -11.775
  905    H    LYS 114           H        LYS 114 -43.342 -12.029 -12.820
  906    HA   LYS 114           HA       LYS 114 -44.115 -12.425 -15.696
  907   1HB   LYS 114          1HB       LYS 114 -41.793 -13.357 -14.014
  908   2HB   LYS 114          2HB       LYS 114 -42.279 -14.275 -15.441
  909   1HG   LYS 114          1HG       LYS 114 -41.623 -12.623 -16.900
  910   2HG   LYS 114          2HG       LYS 114 -41.995 -11.326 -15.763
  911   1HD   LYS 114          1HD       LYS 114 -39.992 -12.427 -14.398
  912   2HD   LYS 114          2HD       LYS 114 -39.517 -12.981 -16.004
  913   1HE   LYS 114          1HE       LYS 114 -39.959 -10.468 -16.688
  914   2HE   LYS 114          2HE       LYS 114 -39.705 -10.172 -14.957
  915   1HZ   LYS 114          2HZ       LYS 114 -37.890 -11.814 -16.640
  916   2HZ   LYS 114          1HZ       LYS 114 -37.619 -10.173 -16.289
  917   3HZ   LYS 114          3HZ       LYS 114 -37.632 -11.316 -15.036
  918    H    LEU 115           H        LEU 115 -45.874 -13.827 -15.852
  919    HA   LEU 115           HA       LEU 115 -46.231 -15.852 -13.663
  920   1HB   LEU 115          1HB       LEU 115 -47.893 -13.961 -13.872
  921   2HB   LEU 115          2HB       LEU 115 -48.305 -14.576 -15.473
  922    HG   LEU 115           HG       LEU 115 -48.599 -16.859 -14.152
  923   1HD1  LEU 115          3HD1      LEU 115 -48.776 -14.696 -12.062
  924   2HD1  LEU 115          2HD1      LEU 115 -49.723 -16.174 -11.906
  925   3HD1  LEU 115          1HD1      LEU 115 -47.963 -16.258 -11.967
  926   1HD2  LEU 115          3HD2      LEU 115 -50.348 -15.599 -15.417
  927   2HD2  LEU 115          2HD2      LEU 115 -50.982 -16.350 -13.953
  928   3HD2  LEU 115          1HD2      LEU 115 -50.641 -14.620 -13.979
  929    H    THR 116           H        THR 116 -46.407 -18.029 -14.324
  930    HA   THR 116           HA       THR 116 -46.832 -18.584 -17.229
  931    HB   THR 116           HB       THR 116 -44.894 -20.339 -16.739
  932    HG1  THR 116           HG1      THR 116 -44.560 -19.874 -14.614
  933   1HG2  THR 116          2HG2      THR 116 -44.856 -18.490 -18.410
  934   2HG2  THR 116          1HG2      THR 116 -44.321 -17.390 -17.140
  935   3HG2  THR 116          3HG2      THR 116 -43.291 -18.733 -17.635
  936    H    THR 117           H        THR 117 -48.704 -19.866 -17.131
  937    HA   THR 117           HA       THR 117 -48.678 -22.149 -15.186
  938    HB   THR 117           HB       THR 117 -51.060 -20.444 -15.977
  939    HG1  THR 117           HG1      THR 117 -49.850 -19.130 -14.750
  940   1HG2  THR 117          3HG2      THR 117 -50.602 -22.795 -14.197
  941   2HG2  THR 117          2HG2      THR 117 -51.757 -21.574 -13.662
  942   3HG2  THR 117          1HG2      THR 117 -51.997 -22.402 -15.201

  No H/Q in entry =         942
  Start of MODEL   12
    1    H1   MET   1           HN2      MET   1 -10.911 -20.441  -6.305
    2    H2   MET   1           H        MET   1 -11.318 -20.247  -4.667
    3    HA   MET   1           HA       MET   1 -12.938 -19.462  -7.033
    4   1HB   MET   1          1HB       MET   1 -14.660 -18.899  -5.320
    5   2HB   MET   1          2HB       MET   1 -14.305 -20.625  -5.351
    6   1HG   MET   1          1HG       MET   1 -12.993 -20.500  -3.370
    7   2HG   MET   1          2HG       MET   1 -12.893 -18.742  -3.455
    8   1HE   MET   1          3HE       MET   1 -13.313 -19.281  -0.962
    9   2HE   MET   1          2HE       MET   1 -14.906 -19.478  -0.235
   10   3HE   MET   1          1HE       MET   1 -14.086 -20.872  -0.932
   11    H    ALA   2           H        ALA   2 -10.396 -18.364  -6.690
   12    HA   ALA   2           HA       ALA   2 -10.918 -15.782  -5.247
   13   1HB   ALA   2          2HB       ALA   2  -9.060 -16.568  -4.164
   14   2HB   ALA   2          1HB       ALA   2  -8.632 -17.652  -5.488
   15   3HB   ALA   2          3HB       ALA   2  -8.212 -15.942  -5.577
   16    H    GLU   3           H        GLU   3 -10.560 -13.835  -6.435
   17    HA   GLU   3           HA       GLU   3  -9.759 -14.188  -9.309
   18   1HB   GLU   3          1HB       GLU   3 -11.943 -12.639  -7.929
   19   2HB   GLU   3          2HB       GLU   3 -11.346 -12.108  -9.501
   20   1HG   GLU   3          1HG       GLU   3 -11.671 -14.688 -10.092
   21   2HG   GLU   3          2HG       GLU   3 -12.852 -14.587  -8.786
   22    H    GLN   4           H        GLN   4 -10.191 -11.506  -6.906
   23    HA   GLN   4           HA       GLN   4  -7.431 -10.575  -7.613
   24   1HB   GLN   4          1HB       GLN   4  -9.529  -9.444  -8.728
   25   2HB   GLN   4          2HB       GLN   4  -9.720  -8.678  -7.150
   26   1HG   GLN   4          1HG       GLN   4  -7.123  -8.193  -7.459
   27   2HG   GLN   4          2HG       GLN   4  -7.536  -8.345  -9.167
   28   1HE2  GLN   4          1HE2      GLN   4  -7.292  -6.010  -9.589
   29   2HE2  GLN   4          2HE2      GLN   4  -8.405  -4.890  -8.966
   30    H    ARG   5           H        ARG   5  -6.281 -10.619  -5.668
   31    HA   ARG   5           HA       ARG   5  -7.760  -9.832  -3.174
   32   1HB   ARG   5          1HB       ARG   5  -5.478 -11.776  -3.656
   33   2HB   ARG   5          2HB       ARG   5  -6.123 -11.373  -2.064
   34   1HG   ARG   5          1HG       ARG   5  -8.409 -12.084  -2.973
   35   2HG   ARG   5          2HG       ARG   5  -7.534 -12.777  -4.339
   36   1HD   ARG   5          1HD       ARG   5  -7.439 -14.640  -3.000
   37   2HD   ARG   5          2HD       ARG   5  -6.097 -13.779  -2.221
   38    HE   ARG   5           HE       ARG   5  -7.696 -12.933  -0.547
   39   1HH1  ARG   5          1HH1      ARG   5  -8.527 -14.806   0.855
   40   2HH1  ARG   5          2HH1      ARG   5  -9.998 -15.503   0.263
   41   1HH2  ARG   5          1HH2      ARG   5  -9.733 -14.055  -2.876
   42   2HH2  ARG   5          2HH2      ARG   5 -10.681 -15.078  -1.849
   43    H    PHE   6           H        PHE   6  -6.678  -8.342  -1.768
   44    HA   PHE   6           HA       PHE   6  -4.093  -7.220  -2.809
   45   1HB   PHE   6          1HB       PHE   6  -6.724  -6.050  -2.230
   46   2HB   PHE   6          2HB       PHE   6  -5.407  -5.195  -1.434
   47    HD1  PHE   6           HD1      PHE   6  -6.887  -6.126  -4.667
   48    HD2  PHE   6           HD2      PHE   6  -3.635  -4.110  -2.725
   49    HE1  PHE   6           HE1      PHE   6  -6.309  -5.000  -6.801
   50    HE2  PHE   6           HE2      PHE   6  -3.056  -2.980  -4.851
   51    HZ   PHE   6           HZ       PHE   6  -4.394  -3.425  -6.894
   52    H    CYS   7           H        CYS   7  -2.493  -6.797  -1.204
   53    HA   CYS   7           HA       CYS   7  -3.268  -7.422   1.633
   54   1HB   CYS   7          1HB       CYS   7  -1.951  -9.174   0.338
   55   2HB   CYS   7          2HB       CYS   7  -0.631  -8.007   0.253
   56    HG   CYS   7           HG       CYS   7  -0.464  -8.070   2.863
   57    H    VAL   8           H        VAL   8  -1.940  -6.231   3.267
   58    HA   VAL   8           HA       VAL   8  -0.788  -3.694   2.141
   59    HB   VAL   8           HB       VAL   8  -2.004  -4.309   4.859
   60   1HG1  VAL   8          1HG1      VAL   8  -0.234  -2.440   4.612
   61   2HG1  VAL   8          3HG1      VAL   8  -1.458  -1.590   3.668
   62   3HG1  VAL   8          2HG1      VAL   8  -1.774  -2.007   5.352
   63   1HG2  VAL   8          2HG2      VAL   8  -3.645  -4.361   2.980
   64   2HG2  VAL   8          1HG2      VAL   8  -3.925  -3.005   4.075
   65   3HG2  VAL   8          3HG2      VAL   8  -3.135  -2.736   2.520
   66    H    ASP   9           H        ASP   9   1.472  -3.725   2.242
   67    HA   ASP   9           HA       ASP   9   2.716  -5.066   4.626
   68   1HB   ASP   9          1HB       ASP   9   2.859  -6.041   2.184
   69   2HB   ASP   9          2HB       ASP   9   4.054  -4.765   1.949
   70    H    TYR  10           H        TYR  10   4.532  -3.947   5.565
   71    HA   TYR  10           HA       TYR  10   4.772  -1.083   4.707
   72   1HB   TYR  10          1HB       TYR  10   4.469  -2.454   7.206
   73   2HB   TYR  10          2HB       TYR  10   6.052  -1.682   7.218
   74    HD1  TYR  10           HD1      TYR  10   5.904   0.782   5.942
   75    HD2  TYR  10           HD2      TYR  10   2.781  -1.163   8.163
   76    HE1  TYR  10           HE1      TYR  10   4.840   2.979   6.369
   77    HE2  TYR  10           HE2      TYR  10   1.719   1.036   8.590
   78    HH   TYR  10           HH       TYR  10   3.193   3.875   8.324
   79    H    ALA  11           H        ALA  11   6.844  -0.241   4.162
   80    HA   ALA  11           HA       ALA  11   8.828  -2.022   3.122
   81   1HB   ALA  11          3HB       ALA  11   9.269   0.805   4.142
   82   2HB   ALA  11          2HB       ALA  11  10.190  -0.023   2.887
   83   3HB   ALA  11          1HB       ALA  11   8.512   0.432   2.593
   84    H    LYS  12           H        LYS  12  10.375  -3.266   4.171
   85    HA   LYS  12           HA       LYS  12  11.315  -2.365   6.866
   86   1HB   LYS  12          1HB       LYS  12   9.904  -4.853   6.016
   87   2HB   LYS  12          2HB       LYS  12  11.197  -5.034   7.202
   88   1HG   LYS  12          1HG       LYS  12  10.133  -3.432   8.686
   89   2HG   LYS  12          2HG       LYS  12   8.901  -3.074   7.475
   90   1HD   LYS  12          1HD       LYS  12   7.882  -4.612   8.989
   91   2HD   LYS  12          2HD       LYS  12   8.299  -5.558   7.560
   92   1HE   LYS  12          1HE       LYS  12   9.143  -6.922   9.271
   93   2HE   LYS  12          2HE       LYS  12  10.574  -5.946   8.882
   94   1HZ   LYS  12          1HZ       LYS  12   8.547  -5.242  10.938
   95   2HZ   LYS  12          3HZ       LYS  12  10.062  -5.927  11.274
   96   3HZ   LYS  12          2HZ       LYS  12   9.966  -4.377  10.585
   97    H    ARG  13           H        ARG  13  13.502  -1.988   6.424
   98    HA   ARG  13           HA       ARG  13  15.642  -2.257   5.456
   99   1HB   ARG  13          1HB       ARG  13  16.637  -4.328   6.309
  100   2HB   ARG  13          2HB       ARG  13  15.535  -3.644   7.500
  101   1HG   ARG  13          1HG       ARG  13  13.853  -5.259   7.028
  102   2HG   ARG  13          2HG       ARG  13  14.649  -5.765   5.538
  103   1HD   ARG  13          1HD       ARG  13  16.085  -6.037   8.178
  104   2HD   ARG  13          2HD       ARG  13  14.937  -7.280   7.643
  105    HE   ARG  13           HE       ARG  13  17.483  -6.595   6.301
  106   1HH1  ARG  13          1HH1      ARG  13  16.061  -9.305   7.093
  107   2HH1  ARG  13          2HH1      ARG  13  15.800  -9.951   5.508
  108   1HH2  ARG  13          1HH2      ARG  13  16.455  -6.955   3.890
  109   2HH2  ARG  13          2HH2      ARG  13  16.022  -8.621   3.694
  110    H    GLY  14           H        GLY  14  13.700  -2.538   3.331
  111   1HA   GLY  14          2HA       GLY  14  13.449  -4.568   1.660
  112   2HA   GLY  14          1HA       GLY  14  15.207  -4.430   1.596
  113    H    THR  15           H        THR  15  14.722  -3.964  -0.795
  114    HA   THR  15           HA       THR  15  13.662  -1.215  -1.269
  115    HB   THR  15           HB       THR  15  16.381  -2.230  -2.158
  116    HG1  THR  15           HG1      THR  15  16.568  -1.806  -0.035
  117   1HG2  THR  15          3HG2      THR  15  14.887   0.370  -2.497
  118   2HG2  THR  15          2HG2      THR  15  16.644   0.287  -2.629
  119   3HG2  THR  15          1HG2      THR  15  15.631  -0.635  -3.741
  120    H    ALA  16           H        ALA  16  12.231  -1.395  -3.009
  121    HA   ALA  16           HA       ALA  16  13.019  -3.042  -5.339
  122   1HB   ALA  16          3HB       ALA  16  10.682  -4.169  -5.137
  123   2HB   ALA  16          1HB       ALA  16  10.717  -3.609  -3.466
  124   3HB   ALA  16          2HB       ALA  16  11.950  -4.725  -4.046
  125    H    GLY  17           H        GLY  17  12.159  -2.220  -7.276
  126   1HA   GLY  17          2HA       GLY  17  10.979  -0.763  -8.684
  127   2HA   GLY  17          1HA       GLY  17  11.008   0.376  -7.337
  128    H    CYS  18           H        CYS  18   8.889   1.051  -6.993
  129    HA   CYS  18           HA       CYS  18   6.927  -0.863  -6.090
  130   1HB   CYS  18          1HB       CYS  18   5.426   1.067  -5.975
  131   2HB   CYS  18          2HB       CYS  18   7.016   1.495  -5.364
  132    H    LYS  19           H        LYS  19   5.735  -2.245  -7.301
  133    HA   LYS  19           HA       LYS  19   5.610  -2.080 -10.200
  134   1HB   LYS  19          1HB       LYS  19   4.235  -3.721  -8.071
  135   2HB   LYS  19          2HB       LYS  19   3.776  -3.886  -9.766
  136   1HG   LYS  19          1HG       LYS  19   6.639  -4.113  -8.804
  137   2HG   LYS  19          2HG       LYS  19   5.572  -5.506  -8.974
  138   1HD   LYS  19          1HD       LYS  19   5.678  -5.478 -11.248
  139   2HD   LYS  19          2HD       LYS  19   5.655  -3.717 -11.328
  140   1HE   LYS  19          1HE       LYS  19   7.837  -4.564 -12.105
  141   2HE   LYS  19          2HE       LYS  19   8.049  -3.698 -10.571
  142   1HZ   LYS  19          1HZ       LYS  19   7.572  -6.622 -10.777
  143   2HZ   LYS  19          3HZ       LYS  19   9.110  -5.930 -10.606
  144   3HZ   LYS  19          2HZ       LYS  19   7.956  -5.746  -9.374
  145    H    LYS  20           H        LYS  20   3.556  -1.748 -11.475
  146    HA   LYS  20           HA       LYS  20   1.614  -0.516 -11.988
  147   1HB   LYS  20          1HB       LYS  20   1.180  -1.757  -9.531
  148   2HB   LYS  20          2HB       LYS  20   0.805  -0.065  -9.190
  149   1HG   LYS  20          1HG       LYS  20  -1.225  -1.141  -9.955
  150   2HG   LYS  20          2HG       LYS  20  -0.674  -0.050 -11.227
  151   1HD   LYS  20          1HD       LYS  20   0.643  -2.271 -11.984
  152   2HD   LYS  20          2HD       LYS  20  -0.732  -3.027 -11.177
  153   1HE   LYS  20          1HE       LYS  20  -2.285  -1.676 -12.572
  154   2HE   LYS  20          2HE       LYS  20  -0.890  -0.973 -13.414
  155   1HZ   LYS  20          3HZ       LYS  20  -0.153  -3.286 -13.880
  156   2HZ   LYS  20          2HZ       LYS  20  -1.637  -3.845 -13.268
  157   3HZ   LYS  20          1HZ       LYS  20  -1.601  -2.865 -14.657
  158    H    CYS  21           H        CYS  21   4.310   0.843 -10.986
  159    HA   CYS  21           HA       CYS  21   3.503   3.526 -11.452
  160   1HB   CYS  21          1HB       CYS  21   3.905   4.411  -9.117
  161   2HB   CYS  21          2HB       CYS  21   2.412   3.523  -9.341
  162    H    LYS  22           H        LYS  22   5.359   5.024 -11.461
  163    HA   LYS  22           HA       LYS  22   7.933   3.552 -11.713
  164   1HB   LYS  22          1HB       LYS  22   6.805   5.342 -13.304
  165   2HB   LYS  22          2HB       LYS  22   7.598   6.491 -12.224
  166   1HG   LYS  22          1HG       LYS  22   9.754   5.670 -12.742
  167   2HG   LYS  22          2HG       LYS  22   9.112   4.176 -13.429
  168   1HD   LYS  22          1HD       LYS  22   7.974   5.653 -15.188
  169   2HD   LYS  22          2HD       LYS  22   9.008   6.959 -14.605
  170   1HE   LYS  22          1HE       LYS  22  10.232   4.305 -15.348
  171   2HE   LYS  22          2HE       LYS  22   9.870   5.507 -16.603
  172   1HZ   LYS  22          1HZ       LYS  22  11.066   7.165 -15.306
  173   2HZ   LYS  22          3HZ       LYS  22  11.436   6.005 -14.125
  174   3HZ   LYS  22          2HZ       LYS  22  12.084   5.859 -15.689
  175    H    GLU  23           H        GLU  23   8.420   3.234  -9.406
  176    HA   GLU  23           HA       GLU  23   9.958   5.436  -8.270
  177   1HB   GLU  23          1HB       GLU  23   7.292   5.596  -7.782
  178   2HB   GLU  23          2HB       GLU  23   7.801   4.612  -6.420
  179   1HG   GLU  23          1HG       GLU  23   8.388   6.518  -5.397
  180   2HG   GLU  23          2HG       GLU  23   9.751   6.576  -6.515
  181    H    LYS  24           H        LYS  24  10.367   4.630  -5.685
  182    HA   LYS  24           HA       LYS  24  11.025   1.690  -5.852
  183   1HB   LYS  24          1HB       LYS  24  12.945   3.261  -6.264
  184   2HB   LYS  24          2HB       LYS  24  12.673   3.949  -4.664
  185   1HG   LYS  24          1HG       LYS  24  13.326   1.984  -3.564
  186   2HG   LYS  24          2HG       LYS  24  13.037   0.981  -4.986
  187   1HD   LYS  24          1HD       LYS  24  15.429   1.217  -4.731
  188   2HD   LYS  24          2HD       LYS  24  14.939   2.184  -6.124
  189   1HE   LYS  24          1HE       LYS  24  15.384   4.183  -5.061
  190   2HE   LYS  24          2HE       LYS  24  14.954   3.546  -3.462
  191   1HZ   LYS  24          1HZ       LYS  24  17.352   2.748  -5.027
  192   2HZ   LYS  24          3HZ       LYS  24  17.366   3.825  -3.716
  193   3HZ   LYS  24          2HZ       LYS  24  16.939   2.198  -3.473
  194    H    ILE  25           H        ILE  25  11.070   0.611  -3.739
  195    HA   ILE  25           HA       ILE  25   9.401   2.039  -1.694
  196    HB   ILE  25           HB       ILE  25   9.949  -0.917  -2.152
  197   1HG1  ILE  25          1HG1      ILE  25   7.388   0.610  -2.684
  198   2HG1  ILE  25          2HG1      ILE  25   8.608   0.353  -3.931
  199   1HG2  ILE  25          3HG2      ILE  25   9.339  -0.123   0.207
  200   2HG2  ILE  25          2HG2      ILE  25   7.779   0.347  -0.467
  201   3HG2  ILE  25          1HG2      ILE  25   8.279  -1.343  -0.500
  202   1HD1  ILE  25          2HD1      ILE  25   8.311  -2.180  -2.870
  203   2HD1  ILE  25          1HD1      ILE  25   6.668  -1.541  -2.797
  204   3HD1  ILE  25          3HD1      ILE  25   7.525  -1.598  -4.336
  205    H    VAL  26           H        VAL  26  10.463   2.667   0.184
  206    HA   VAL  26           HA       VAL  26  12.896   1.112   1.003
  207    HB   VAL  26           HB       VAL  26  13.892   3.304   1.626
  208   1HG1  VAL  26          3HG1      VAL  26  13.937   2.210  -0.770
  209   2HG1  VAL  26          2HG1      VAL  26  12.961   3.611  -1.211
  210   3HG1  VAL  26          1HG1      VAL  26  14.575   3.837  -0.536
  211   1HG2  VAL  26          1HG2      VAL  26  11.604   4.404   1.947
  212   2HG2  VAL  26          3HG2      VAL  26  12.809   5.377   1.103
  213   3HG2  VAL  26          2HG2      VAL  26  11.538   4.562   0.192
  214    H    LYS  27           H        LYS  27  13.287   1.128   3.346
  215    HA   LYS  27           HA       LYS  27  11.070   0.674   5.017
  216   1HB   LYS  27          1HB       LYS  27  13.567   0.277   5.447
  217   2HB   LYS  27          2HB       LYS  27  13.644   1.959   5.972
  218   1HG   LYS  27          1HG       LYS  27  12.006   1.549   7.715
  219   2HG   LYS  27          2HG       LYS  27  11.742  -0.095   7.134
  220   1HD   LYS  27          1HD       LYS  27  13.253  -0.511   8.841
  221   2HD   LYS  27          2HD       LYS  27  14.367  -0.280   7.494
  222   1HE   LYS  27          1HE       LYS  27  15.155   1.707   8.322
  223   2HE   LYS  27          2HE       LYS  27  13.560   2.196   8.930
  224   1HZ   LYS  27          1HZ       LYS  27  15.261   0.057  10.101
  225   2HZ   LYS  27          3HZ       LYS  27  15.073   1.613  10.748
  226   3HZ   LYS  27          2HZ       LYS  27  13.744   0.557  10.682
  227    H    GLY  28           H        GLY  28   9.500   1.999   5.943
  228   1HA   GLY  28          2HA       GLY  28  10.112   4.923   6.087
  229   2HA   GLY  28          1HA       GLY  28   9.105   4.088   7.263
  230    H    VAL  29           H        VAL  29   8.405   2.916   4.091
  231    HA   VAL  29           HA       VAL  29   6.085   4.803   3.943
  232    HB   VAL  29           HB       VAL  29   7.757   5.294   2.227
  233   1HG1  VAL  29          1HG1      VAL  29   7.901   2.380   2.066
  234   2HG1  VAL  29          3HG1      VAL  29   7.741   3.127   0.478
  235   3HG1  VAL  29          2HG1      VAL  29   9.064   3.592   1.545
  236   1HG2  VAL  29          2HG2      VAL  29   5.359   5.468   1.619
  237   2HG2  VAL  29          1HG2      VAL  29   6.355   5.037   0.227
  238   3HG2  VAL  29          3HG2      VAL  29   5.395   3.802   1.042
  239    H    CYS  30           H        CYS  30   4.069   3.821   3.774
  240    HA   CYS  30           HA       CYS  30   3.914   0.903   4.051
  241   1HB   CYS  30          1HB       CYS  30   1.507   1.301   4.259
  242   2HB   CYS  30          2HB       CYS  30   2.378   2.507   5.196
  243    HG   CYS  30           HG       CYS  30   1.387   3.259   2.330
  244    H    ARG  31           H        ARG  31   3.218  -0.629   2.473
  245    HA   ARG  31           HA       ARG  31   2.619   0.460  -0.249
  246   1HB   ARG  31          1HB       ARG  31   4.189  -1.252  -1.151
  247   2HB   ARG  31          2HB       ARG  31   5.008  -0.108  -0.090
  248   1HG   ARG  31          1HG       ARG  31   5.056  -1.677   1.719
  249   2HG   ARG  31          2HG       ARG  31   3.935  -2.761   0.895
  250   1HD   ARG  31          1HD       ARG  31   5.580  -3.669  -0.419
  251   2HD   ARG  31          2HD       ARG  31   6.422  -2.118  -0.602
  252    HE   ARG  31           HE       ARG  31   7.108  -2.472   1.872
  253   1HH1  ARG  31          1HH1      ARG  31   9.176  -3.751   1.784
  254   2HH1  ARG  31          2HH1      ARG  31   8.956  -5.465   1.661
  255   1HH2  ARG  31          1HH2      ARG  31   5.607  -5.245   0.797
  256   2HH2  ARG  31          2HH2      ARG  31   6.938  -6.309   1.101
  257    H    ILE  32           H        ILE  32   1.153  -0.863  -1.473
  258    HA   ILE  32           HA       ILE  32  -0.062  -3.133   0.075
  259    HB   ILE  32           HB       ILE  32  -1.316  -1.493  -2.153
  260   1HG1  ILE  32          1HG1      ILE  32  -1.666  -1.054   0.835
  261   2HG1  ILE  32          2HG1      ILE  32  -0.644  -0.041  -0.187
  262   1HG2  ILE  32          3HG2      ILE  32  -2.202  -3.794  -1.373
  263   2HG2  ILE  32          2HG2      ILE  32  -2.679  -2.957   0.105
  264   3HG2  ILE  32          1HG2      ILE  32  -3.351  -2.458  -1.449
  265   1HD1  ILE  32          2HD1      ILE  32  -3.542  -0.547  -0.863
  266   2HD1  ILE  32          1HD1      ILE  32  -3.059   0.767   0.210
  267   3HD1  ILE  32          3HD1      ILE  32  -2.487   0.736  -1.459
  268    H    GLY  33           H        GLY  33   0.014  -5.179  -0.921
  269   1HA   GLY  33          2HA       GLY  33   1.238  -6.528  -2.592
  270   2HA   GLY  33          1HA       GLY  33   0.958  -5.225  -3.751
  271    H    LYS  34           H        LYS  34  -0.073  -6.832  -5.208
  272    HA   LYS  34           HA       LYS  34  -2.856  -7.520  -4.315
  273   1HB   LYS  34          1HB       LYS  34  -2.697  -5.748  -6.020
  274   2HB   LYS  34          2HB       LYS  34  -1.744  -6.814  -7.051
  275   1HG   LYS  34          1HG       LYS  34  -3.668  -8.419  -7.076
  276   2HG   LYS  34          2HG       LYS  34  -4.616  -7.237  -6.174
  277   1HD   LYS  34          1HD       LYS  34  -5.239  -6.558  -8.267
  278   2HD   LYS  34          2HD       LYS  34  -3.720  -5.664  -8.191
  279   1HE   LYS  34          1HE       LYS  34  -3.430  -8.472  -9.082
  280   2HE   LYS  34          2HE       LYS  34  -4.336  -7.426 -10.194
  281   1HZ   LYS  34          1HZ       LYS  34  -2.547  -5.742  -9.862
  282   2HZ   LYS  34          3HZ       LYS  34  -1.646  -6.924  -9.043
  283   3HZ   LYS  34          2HZ       LYS  34  -2.039  -7.141 -10.682
  284    H    VAL  35           H        VAL  35  -3.346  -9.741  -4.387
  285    HA   VAL  35           HA       VAL  35  -1.327 -11.528  -5.697
  286    HB   VAL  35           HB       VAL  35  -3.504 -12.079  -3.648
  287   1HG1  VAL  35          3HG1      VAL  35  -2.893 -14.050  -5.021
  288   2HG1  VAL  35          2HG1      VAL  35  -1.196 -13.801  -4.607
  289   3HG1  VAL  35          1HG1      VAL  35  -2.355 -14.235  -3.351
  290   1HG2  VAL  35          1HG2      VAL  35  -0.662 -11.216  -3.470
  291   2HG2  VAL  35          3HG2      VAL  35  -1.996 -10.925  -2.354
  292   3HG2  VAL  35          2HG2      VAL  35  -1.165 -12.480  -2.349
  293    H    VAL  36           H        VAL  36  -1.982 -11.929  -7.832
  294    HA   VAL  36           HA       VAL  36  -4.850 -12.717  -8.226
  295    HB   VAL  36           HB       VAL  36  -4.292 -10.511  -9.189
  296   1HG1  VAL  36          2HG1      VAL  36  -2.120 -12.083 -10.592
  297   2HG1  VAL  36          1HG1      VAL  36  -2.675 -10.512 -11.164
  298   3HG1  VAL  36          3HG1      VAL  36  -1.935 -10.658  -9.571
  299   1HG2  VAL  36          3HG2      VAL  36  -4.768 -12.811 -11.084
  300   2HG2  VAL  36          2HG2      VAL  36  -5.940 -11.663 -10.436
  301   3HG2  VAL  36          1HG2      VAL  36  -4.770 -11.139 -11.646
  302    HA   PRO  37           HA       PRO  37  -3.046 -16.497  -9.681
  303   1HB   PRO  37          1HB       PRO  37  -5.155 -17.498 -11.112
  304   2HB   PRO  37          2HB       PRO  37  -5.102 -17.505  -9.337
  305   1HG   PRO  37          1HG       PRO  37  -6.529 -15.656 -11.181
  306   2HG   PRO  37          2HG       PRO  37  -7.051 -16.329  -9.630
  307   1HD   PRO  37          1HD       PRO  37  -6.112 -13.789  -9.924
  308   2HD   PRO  37          2HD       PRO  37  -5.969 -14.718  -8.416
  309    H    ASN  38           H        ASN  38  -1.997 -17.249 -11.615
  310    HA   ASN  38           HA       ASN  38  -2.208 -15.376 -13.945
  311   1HB   ASN  38          1HB       ASN  38  -0.110 -17.077 -12.686
  312   2HB   ASN  38          2HB       ASN  38  -0.025 -16.896 -14.439
  313   1HD2  ASN  38          2HD2      ASN  38   0.255 -15.136 -11.357
  314   2HD2  ASN  38          1HD2      ASN  38   0.839 -13.698 -12.044
  315    HA   PRO  39           HA       PRO  39  -4.037 -18.524 -16.429
  316   1HB   PRO  39          1HB       PRO  39  -2.984 -17.995 -18.899
  317   2HB   PRO  39          2HB       PRO  39  -4.218 -16.972 -18.137
  318   1HG   PRO  39          1HG       PRO  39  -1.281 -16.558 -18.343
  319   2HG   PRO  39          2HG       PRO  39  -2.598 -15.381 -18.454
  320   1HD   PRO  39          1HD       PRO  39  -1.055 -15.725 -16.227
  321   2HD   PRO  39          2HD       PRO  39  -2.723 -15.113 -16.189
  322    H    PHE  40           H        PHE  40  -2.438 -20.046 -15.091
  323    HA   PHE  40           HA       PHE  40  -0.900 -21.629 -17.079
  324   1HB   PHE  40          1HB       PHE  40   0.640 -19.917 -16.158
  325   2HB   PHE  40          2HB       PHE  40   0.274 -20.474 -14.526
  326    HD1  PHE  40           HD1      PHE  40   2.149 -21.125 -17.583
  327    HD2  PHE  40           HD2      PHE  40   0.919 -22.782 -13.817
  328    HE1  PHE  40           HE1      PHE  40   3.889 -22.880 -17.788
  329    HE2  PHE  40           HE2      PHE  40   2.657 -24.538 -14.021
  330    HZ   PHE  40           HZ       PHE  40   4.144 -24.587 -16.006
  331    H    SER  41           H        SER  41  -1.387 -21.407 -13.491
  332    HA   SER  41           HA       SER  41  -2.075 -24.329 -13.531
  333   1HB   SER  41          1HB       SER  41  -0.464 -22.542 -11.788
  334   2HB   SER  41          2HB       SER  41  -1.418 -23.767 -10.958
  335    HG   SER  41           HG       SER  41  -0.341 -25.337 -12.023
  336    H    GLU  42           H        GLU  42  -3.834 -24.994 -12.036
  337    HA   GLU  42           HA       GLU  42  -5.828 -22.798 -11.626
  338   1HB   GLU  42          1HB       GLU  42  -6.047 -25.828 -11.682
  339   2HB   GLU  42          2HB       GLU  42  -7.411 -24.735 -11.445
  340   1HG   GLU  42          1HG       GLU  42  -6.809 -23.640 -13.639
  341   2HG   GLU  42          2HG       GLU  42  -5.628 -24.926 -13.887
  342    H    SER  43           H        SER  43  -4.469 -25.657  -9.877
  343    HA   SER  43           HA       SER  43  -5.718 -25.092  -7.350
  344   1HB   SER  43          1HB       SER  43  -4.716 -27.235  -7.663
  345   2HB   SER  43          2HB       SER  43  -3.184 -26.532  -8.174
  346    HG   SER  43           HG       SER  43  -2.961 -27.167  -6.057
  347    H    GLY  44           H        GLY  44  -2.576 -23.981  -8.709
  348   1HA   GLY  44          2HA       GLY  44  -1.103 -22.802  -6.906
  349   2HA   GLY  44          1HA       GLY  44  -2.565 -21.858  -6.612
  350    H    GLY  45           H        GLY  45   0.002 -20.782  -7.569
  351   1HA   GLY  45          2HA       GLY  45  -0.621 -20.106 -10.403
  352   2HA   GLY  45          1HA       GLY  45   0.937 -19.854  -9.614
  353    H    ASP  46           H        ASP  46   0.264 -18.465  -7.307
  354    HA   ASP  46           HA       ASP  46  -1.222 -16.063  -8.328
  355   1HB   ASP  46          1HB       ASP  46  -0.854 -17.251  -5.560
  356   2HB   ASP  46          2HB       ASP  46  -1.619 -15.690  -5.855
  357    H    MET  47           H        MET  47  -0.006 -14.154  -8.448
  358    HA   MET  47           HA       MET  47   2.681 -14.161  -7.102
  359   1HB   MET  47          1HB       MET  47   2.113 -14.096  -9.758
  360   2HB   MET  47          2HB       MET  47   2.101 -12.369  -9.400
  361   1HG   MET  47          1HG       MET  47   4.356 -12.656  -9.823
  362   2HG   MET  47          2HG       MET  47   4.337 -12.989  -8.091
  363   1HE   MET  47          2HE       MET  47   6.379 -13.742  -8.353
  364   2HE   MET  47          1HE       MET  47   6.526 -15.464  -8.013
  365   3HE   MET  47          3HE       MET  47   6.988 -14.830  -9.598
  366    H    LYS  48           H        LYS  48   3.357 -12.142  -6.111
  367    HA   LYS  48           HA       LYS  48   1.195 -10.082  -5.819
  368   1HB   LYS  48          1HB       LYS  48   1.844  -9.965  -3.419
  369   2HB   LYS  48          2HB       LYS  48   1.264 -11.569  -3.861
  370   1HG   LYS  48          1HG       LYS  48   3.507 -12.436  -3.975
  371   2HG   LYS  48          2HG       LYS  48   4.199 -10.821  -3.822
  372   1HD   LYS  48          1HD       LYS  48   3.802 -10.714  -1.562
  373   2HD   LYS  48          2HD       LYS  48   2.346 -11.705  -1.664
  374   1HE   LYS  48          1HE       LYS  48   3.848 -13.695  -2.156
  375   2HE   LYS  48          2HE       LYS  48   5.226 -12.656  -1.739
  376   1HZ   LYS  48          3HZ       LYS  48   4.033 -12.115   0.357
  377   2HZ   LYS  48          2HZ       LYS  48   2.891 -13.313  -0.024
  378   3HZ   LYS  48          1HZ       LYS  48   4.513 -13.737   0.249
  379    H    GLU  49           H        GLU  49   1.953  -7.913  -5.842
  380    HA   GLU  49           HA       GLU  49   4.919  -7.576  -6.175
  381   1HB   GLU  49          1HB       GLU  49   2.512  -6.263  -7.463
  382   2HB   GLU  49          2HB       GLU  49   4.144  -5.615  -7.615
  383   1HG   GLU  49          1HG       GLU  49   4.906  -7.771  -8.565
  384   2HG   GLU  49          2HG       GLU  49   3.259  -8.391  -8.447
  385    H    TRP  50           H        TRP  50   5.678  -5.315  -5.460
  386    HA   TRP  50           HA       TRP  50   4.046  -4.392  -3.110
  387   1HB   TRP  50          1HB       TRP  50   7.014  -4.299  -3.717
  388   2HB   TRP  50          2HB       TRP  50   6.275  -3.603  -2.279
  389    HD1  TRP  50           HD1      TRP  50   8.194  -6.395  -3.022
  390    HE1  TRP  50           HE1      TRP  50   7.626  -8.456  -1.601
  391    HE3  TRP  50           HE3      TRP  50   3.576  -5.020  -1.287
  392    HZ2  TRP  50           HZ2      TRP  50   5.487  -9.410   0.059
  393    HZ3  TRP  50           HZ3      TRP  50   2.306  -6.522   0.215
  394    HH2  TRP  50           HH2      TRP  50   3.253  -8.716   0.886
  395    H    TYR  51           H        TYR  51   3.235  -2.277  -3.259
  396    HA   TYR  51           HA       TYR  51   4.850  -0.282  -4.675
  397   1HB   TYR  51          1HB       TYR  51   2.748   0.391  -6.039
  398   2HB   TYR  51          2HB       TYR  51   3.742  -0.951  -6.575
  399    HD1  TYR  51           HD1      TYR  51   0.568  -0.081  -4.824
  400    HD2  TYR  51           HD2      TYR  51   2.886  -3.145  -6.743
  401    HE1  TYR  51           HE1      TYR  51  -1.423  -1.558  -4.881
  402    HE2  TYR  51           HE2      TYR  51   0.902  -4.624  -6.791
  403    HH   TYR  51           HH       TYR  51  -1.980  -3.813  -6.675
  404    H    HIS  52           H        HIS  52   3.647   1.950  -4.620
  405    HA   HIS  52           HA       HIS  52   3.038   2.422  -1.787
  406   1HB   HIS  52          1HB       HIS  52   2.982   4.317  -4.157
  407   2HB   HIS  52          2HB       HIS  52   3.096   4.773  -2.459
  408    HD2  HIS  52           HD2      HIS  52   5.602   3.864  -1.195
  409    HE1  HIS  52           HE1      HIS  52   7.669   3.569  -4.868
  410    HE2  HIS  52           HE2      HIS  52   7.890   3.603  -2.370
  411    H    ILE  53           H        ILE  53   1.195   4.128  -1.323
  412    HA   ILE  53           HA       ILE  53  -1.351   2.914  -2.262
  413    HB   ILE  53           HB       ILE  53  -0.676   5.049  -0.197
  414   1HG1  ILE  53          1HG1      ILE  53  -1.348   2.095  -0.020
  415   2HG1  ILE  53          2HG1      ILE  53   0.158   2.871   0.457
  416   1HG2  ILE  53          2HG2      ILE  53  -2.990   5.234  -1.212
  417   2HG2  ILE  53          1HG2      ILE  53  -3.308   3.606  -0.615
  418   3HG2  ILE  53          3HG2      ILE  53  -2.984   4.911   0.521
  419   1HD1  ILE  53          3HD1      ILE  53  -1.237   4.215   2.133
  420   2HD1  ILE  53          2HD1      ILE  53  -2.550   3.086   1.787
  421   3HD1  ILE  53          1HD1      ILE  53  -1.038   2.497   2.488
  422    H    LYS  54           H        LYS  54   0.068   6.241  -2.031
  423    HA   LYS  54           HA       LYS  54  -1.900   7.583  -3.601
  424   1HB   LYS  54          1HB       LYS  54  -0.048   8.670  -2.316
  425   2HB   LYS  54          2HB       LYS  54   1.099   8.088  -3.524
  426   1HG   LYS  54          1HG       LYS  54  -0.700   9.297  -5.148
  427   2HG   LYS  54          2HG       LYS  54  -0.881  10.294  -3.703
  428   1HD   LYS  54          1HD       LYS  54   1.433  10.879  -3.698
  429   2HD   LYS  54          2HD       LYS  54   1.824   9.632  -4.883
  430   1HE   LYS  54          1HE       LYS  54   1.712  11.437  -6.326
  431   2HE   LYS  54          2HE       LYS  54  -0.018  11.039  -6.297
  432   1HZ   LYS  54          2HZ       LYS  54   1.292  12.848  -4.340
  433   2HZ   LYS  54          1HZ       LYS  54   0.487  13.399  -5.731
  434   3HZ   LYS  54          3HZ       LYS  54  -0.372  12.569  -4.527
  435    H    CYS  55           H        CYS  55   0.937   5.672  -4.632
  436    HA   CYS  55           HA       CYS  55   0.797   6.289  -7.443
  437   1HB   CYS  55          1HB       CYS  55   1.847   4.022  -5.761
  438   2HB   CYS  55          2HB       CYS  55   1.820   3.848  -7.506
  439    H    MET  56           H        MET  56  -0.544   3.512  -5.591
  440    HA   MET  56           HA       MET  56  -2.035   2.450  -7.851
  441   1HB   MET  56          1HB       MET  56  -1.301   1.279  -5.668
  442   2HB   MET  56          2HB       MET  56  -2.701   2.052  -4.923
  443   1HG   MET  56          1HG       MET  56  -3.565  -0.021  -5.606
  444   2HG   MET  56          2HG       MET  56  -4.025   1.045  -6.933
  445   1HE   MET  56          2HE       MET  56  -4.572  -0.740  -8.093
  446   2HE   MET  56          1HE       MET  56  -3.616  -0.416  -9.538
  447   3HE   MET  56          3HE       MET  56  -3.577  -2.018  -8.789
  448    H    PHE  57           H        PHE  57  -2.929   4.560  -5.094
  449    HA   PHE  57           HA       PHE  57  -5.722   4.774  -5.846
  450   1HB   PHE  57          1HB       PHE  57  -3.829   6.203  -4.017
  451   2HB   PHE  57          2HB       PHE  57  -5.342   7.014  -4.419
  452    HD1  PHE  57           HD1      PHE  57  -3.808   4.169  -2.676
  453    HD2  PHE  57           HD2      PHE  57  -7.520   5.997  -3.822
  454    HE1  PHE  57           HE1      PHE  57  -5.012   2.740  -1.047
  455    HE2  PHE  57           HE2      PHE  57  -8.725   4.565  -2.199
  456    HZ   PHE  57           HZ       PHE  57  -7.472   2.935  -0.813
  457    H    GLU  58           H        GLU  58  -2.787   6.535  -6.877
  458    HA   GLU  58           HA       GLU  58  -4.283   8.674  -8.218
  459   1HB   GLU  58          1HB       GLU  58  -1.903   8.865  -7.455
  460   2HB   GLU  58          2HB       GLU  58  -1.448   7.663  -8.664
  461   1HG   GLU  58          1HG       GLU  58  -2.655   9.279 -10.339
  462   2HG   GLU  58          2HG       GLU  58  -2.410  10.482  -9.073
  463    H    LYS  59           H        LYS  59  -2.816   5.565  -9.241
  464    HA   LYS  59           HA       LYS  59  -3.335   5.799 -12.054
  465   1HB   LYS  59          1HB       LYS  59  -2.983   3.549 -10.094
  466   2HB   LYS  59          2HB       LYS  59  -3.554   3.159 -11.718
  467   1HG   LYS  59          1HG       LYS  59  -1.193   4.982 -11.430
  468   2HG   LYS  59          2HG       LYS  59  -0.957   3.251 -11.190
  469   1HD   LYS  59          1HD       LYS  59  -1.431   2.736 -13.387
  470   2HD   LYS  59          2HD       LYS  59  -2.526   4.105 -13.581
  471   1HE   LYS  59          1HE       LYS  59  -0.681   4.823 -14.836
  472   2HE   LYS  59          2HE       LYS  59  -0.289   5.512 -13.248
  473   1HZ   LYS  59          3HZ       LYS  59   0.535   2.794 -14.114
  474   2HZ   LYS  59          2HZ       LYS  59   1.535   4.161 -14.245
  475   3HZ   LYS  59          1HZ       LYS  59   1.028   3.619 -12.716
  476    H    LEU  60           H        LEU  60  -5.432   4.676  -9.369
  477    HA   LEU  60           HA       LEU  60  -7.663   3.729 -10.870
  478   1HB   LEU  60          1HB       LEU  60  -7.196   4.905  -8.173
  479   2HB   LEU  60          2HB       LEU  60  -8.857   4.983  -8.752
  480    HG   LEU  60           HG       LEU  60  -8.793   2.541  -9.211
  481   1HD1  LEU  60          2HD1      LEU  60  -6.212   2.586  -9.435
  482   2HD1  LEU  60          1HD1      LEU  60  -6.194   2.477  -7.674
  483   3HD1  LEU  60          3HD1      LEU  60  -6.935   1.193  -8.631
  484   1HD2  LEU  60          2HD2      LEU  60  -9.589   3.459  -7.027
  485   2HD2  LEU  60          1HD2      LEU  60  -8.896   1.845  -6.873
  486   3HD2  LEU  60          3HD2      LEU  60  -7.960   3.257  -6.382
  487    H    GLU  61           H        GLU  61  -6.817   7.092  -9.928
  488    HA   GLU  61           HA       GLU  61  -9.146   8.386 -11.001
  489   1HB   GLU  61          1HB       GLU  61  -6.950   9.212  -9.642
  490   2HB   GLU  61          2HB       GLU  61  -6.488   9.723 -11.267
  491   1HG   GLU  61          1HG       GLU  61  -8.200  11.263 -11.426
  492   2HG   GLU  61          2HG       GLU  61  -9.260  10.354 -10.348
  493    H    ARG  62           H        ARG  62  -6.115   7.309 -12.567
  494    HA   ARG  62           HA       ARG  62  -7.216   8.199 -15.210
  495   1HB   ARG  62          1HB       ARG  62  -4.427   7.548 -14.200
  496   2HB   ARG  62          2HB       ARG  62  -4.790   7.907 -15.889
  497   1HG   ARG  62          1HG       ARG  62  -4.535  10.093 -15.391
  498   2HG   ARG  62          2HG       ARG  62  -6.023   9.982 -14.451
  499   1HD   ARG  62          1HD       ARG  62  -4.864   9.682 -12.418
  500   2HD   ARG  62          2HD       ARG  62  -3.375   9.173 -13.239
  501    HE   ARG  62           HE       ARG  62  -4.345  11.960 -12.998
  502   1HH1  ARG  62          1HH1      ARG  62  -1.547  10.555 -12.569
  503   2HH1  ARG  62          2HH1      ARG  62  -0.652  11.332 -13.831
  504   1HH2  ARG  62          1HH2      ARG  62  -3.468  12.589 -15.417
  505   2HH2  ARG  62          2HH2      ARG  62  -1.740  12.484 -15.444
  506    H    ALA  63           H        ALA  63  -8.077   5.665 -13.801
  507    HA   ALA  63           HA       ALA  63  -6.758   3.575 -15.487
  508   1HB   ALA  63          3HB       ALA  63  -7.012   3.338 -12.984
  509   2HB   ALA  63          1HB       ALA  63  -7.744   2.022 -13.901
  510   3HB   ALA  63          2HB       ALA  63  -8.758   3.294 -13.221
  511    H    ARG  64           H        ARG  64  -8.348   1.854 -16.387
  512    HA   ARG  64           HA       ARG  64 -10.231   3.092 -18.177
  513   1HB   ARG  64          1HB       ARG  64  -9.026   0.786 -18.274
  514   2HB   ARG  64          2HB       ARG  64 -10.374   0.202 -17.297
  515   1HG   ARG  64          1HG       ARG  64 -11.969   0.769 -18.980
  516   2HG   ARG  64          2HG       ARG  64 -10.788   1.723 -19.878
  517   1HD   ARG  64          1HD       ARG  64  -9.518  -0.693 -19.817
  518   2HD   ARG  64          2HD       ARG  64 -11.215  -1.208 -19.874
  519    HE   ARG  64           HE       ARG  64  -9.964   0.653 -21.858
  520   1HH1  ARG  64          1HH1      ARG  64 -12.666   1.202 -22.197
  521   2HH1  ARG  64          2HH1      ARG  64 -13.316  -0.098 -23.140
  522   1HH2  ARG  64          1HH2      ARG  64 -10.669  -2.243 -22.492
  523   2HH2  ARG  64          2HH2      ARG  64 -12.185  -2.048 -23.307
  524    H    ALA  65           H        ALA  65 -12.622   2.834 -18.199
  525    HA   ALA  65           HA       ALA  65 -13.847   3.488 -15.657
  526   1HB   ALA  65          2HB       ALA  65 -15.100   2.541 -18.259
  527   2HB   ALA  65          1HB       ALA  65 -15.952   3.362 -16.951
  528   3HB   ALA  65          3HB       ALA  65 -14.707   4.214 -17.864
  529    H    THR  66           H        THR  66 -13.497   0.378 -17.404
  530    HA   THR  66           HA       THR  66 -15.257  -0.957 -15.395
  531    HB   THR  66           HB       THR  66 -14.824  -2.938 -16.939
  532    HG1  THR  66           HG1      THR  66 -13.719  -2.552 -18.794
  533   1HG2  THR  66          1HG2      THR  66 -16.727  -1.198 -17.121
  534   2HG2  THR  66          3HG2      THR  66 -15.806  -0.533 -18.471
  535   3HG2  THR  66          2HG2      THR  66 -16.395  -2.194 -18.538
  536    H    THR  67           H        THR  67 -13.036  -0.031 -14.054
  537    HA   THR  67           HA       THR  67 -11.239  -2.425 -13.829
  538    HB   THR  67           HB       THR  67 -10.559   0.326 -12.828
  539    HG1  THR  67           HG1      THR  67 -10.078   1.006 -14.826
  540   1HG2  THR  67          1HG2      THR  67  -9.215  -2.171 -13.176
  541   2HG2  THR  67          3HG2      THR  67  -8.490  -1.009 -14.287
  542   3HG2  THR  67          2HG2      THR  67  -8.555  -0.655 -12.562
  543    H    LYS  68           H        LYS  68 -10.462  -2.830 -11.525
  544    HA   LYS  68           HA       LYS  68 -12.706  -2.369  -9.611
  545   1HB   LYS  68          1HB       LYS  68 -10.348  -4.236  -9.817
  546   2HB   LYS  68          2HB       LYS  68 -11.163  -4.022  -8.267
  547   1HG   LYS  68          1HG       LYS  68 -13.347  -4.495  -9.518
  548   2HG   LYS  68          2HG       LYS  68 -12.340  -5.039 -10.859
  549   1HD   LYS  68          1HD       LYS  68 -11.164  -6.549  -9.134
  550   2HD   LYS  68          2HD       LYS  68 -12.534  -6.199  -8.078
  551   1HE   LYS  68          1HE       LYS  68 -13.116  -7.079 -10.887
  552   2HE   LYS  68          2HE       LYS  68 -12.611  -8.301  -9.703
  553   1HZ   LYS  68          1HZ       LYS  68 -14.283  -7.401  -8.165
  554   2HZ   LYS  68          3HZ       LYS  68 -14.815  -6.334  -9.372
  555   3HZ   LYS  68          2HZ       LYS  68 -14.990  -8.010  -9.584
  556    H    LYS  69           H        LYS  69 -12.387  -1.245  -7.604
  557    HA   LYS  69           HA       LYS  69  -9.718   0.091  -7.292
  558   1HB   LYS  69          1HB       LYS  69 -11.002   2.111  -6.612
  559   2HB   LYS  69          2HB       LYS  69 -11.384   1.614  -8.258
  560   1HG   LYS  69          1HG       LYS  69 -13.078   0.396  -6.155
  561   2HG   LYS  69          2HG       LYS  69 -13.267   2.138  -6.354
  562   1HD   LYS  69          1HD       LYS  69 -13.193   0.468  -8.828
  563   2HD   LYS  69          2HD       LYS  69 -14.655   0.404  -7.842
  564   1HE   LYS  69          1HE       LYS  69 -14.266   3.087  -7.884
  565   2HE   LYS  69          2HE       LYS  69 -13.572   2.651  -9.458
  566   1HZ   LYS  69          1HZ       LYS  69 -16.180   1.627  -8.483
  567   2HZ   LYS  69          3HZ       LYS  69 -16.037   2.997  -9.471
  568   3HZ   LYS  69          2HZ       LYS  69 -15.531   1.480 -10.046
  569    H    ILE  70           H        ILE  70  -9.274   0.807  -5.010
  570    HA   ILE  70           HA       ILE  70 -10.293  -1.207  -3.074
  571    HB   ILE  70           HB       ILE  70  -8.194   0.986  -2.856
  572   1HG1  ILE  70          1HG1      ILE  70  -7.733  -1.988  -3.122
  573   2HG1  ILE  70          2HG1      ILE  70  -7.867  -0.944  -4.538
  574   1HG2  ILE  70          1HG2      ILE  70  -9.263   0.095  -0.695
  575   2HG2  ILE  70          3HG2      ILE  70  -8.502  -1.448  -1.089
  576   3HG2  ILE  70          2HG2      ILE  70  -7.506  -0.017  -0.813
  577   1HD1  ILE  70          2HD1      ILE  70  -5.892  -0.574  -2.265
  578   2HD1  ILE  70          1HD1      ILE  70  -5.507  -1.226  -3.858
  579   3HD1  ILE  70          3HD1      ILE  70  -6.022   0.453  -3.694
  580    H    GLU  71           H        GLU  71 -12.012  -0.720  -1.712
  581    HA   GLU  71           HA       GLU  71 -12.620   2.181  -1.229
  582   1HB   GLU  71          1HB       GLU  71 -14.326  -0.308  -1.485
  583   2HB   GLU  71          2HB       GLU  71 -14.965   1.215  -0.866
  584   1HG   GLU  71          1HG       GLU  71 -14.561   2.343  -2.921
  585   2HG   GLU  71          2HG       GLU  71 -13.520   1.049  -3.515
  586    H    ASP  72           H        ASP  72 -13.132   2.796   0.971
  587    HA   ASP  72           HA       ASP  72 -12.940   2.668   3.317
  588   1HB   ASP  72          1HB       ASP  72 -14.752   0.870   2.468
  589   2HB   ASP  72          2HB       ASP  72 -13.593  -0.242   3.198
  590    H    LEU  73           H        LEU  73 -11.842   1.186   5.158
  591    HA   LEU  73           HA       LEU  73  -9.316   0.021   4.030
  592   1HB   LEU  73          1HB       LEU  73  -9.014   2.298   4.934
  593   2HB   LEU  73          2HB       LEU  73  -9.732   1.791   6.462
  594    HG   LEU  73           HG       LEU  73  -7.908   0.113   6.727
  595   1HD1  LEU  73          3HD1      LEU  73  -7.258   1.135   4.018
  596   2HD1  LEU  73          2HD1      LEU  73  -5.880   0.890   5.093
  597   3HD1  LEU  73          1HD1      LEU  73  -6.961  -0.454   4.724
  598   1HD2  LEU  73          2HD2      LEU  73  -7.240   3.039   6.390
  599   2HD2  LEU  73          1HD2      LEU  73  -7.539   2.149   7.883
  600   3HD2  LEU  73          3HD2      LEU  73  -6.045   1.886   6.984
  601    H    THR  74           H        THR  74 -10.264  -2.164   4.336
  602    HA   THR  74           HA       THR  74  -9.746  -3.278   6.967
  603    HB   THR  74           HB       THR  74 -12.453  -3.946   6.807
  604    HG1  THR  74           HG1      THR  74 -13.063  -2.405   5.426
  605   1HG2  THR  74          1HG2      THR  74 -10.776  -3.012   8.691
  606   2HG2  THR  74          3HG2      THR  74 -11.709  -1.544   8.396
  607   3HG2  THR  74          2HG2      THR  74 -12.527  -3.022   8.903
  608    H    GLU  75           H        GLU  75 -11.837  -3.863   4.064
  609    HA   GLU  75           HA       GLU  75 -11.770  -6.688   4.031
  610   1HB   GLU  75          1HB       GLU  75 -12.984  -5.061   2.471
  611   2HB   GLU  75          2HB       GLU  75 -11.476  -4.948   1.564
  612   1HG   GLU  75          1HG       GLU  75 -11.501  -7.329   1.110
  613   2HG   GLU  75          2HG       GLU  75 -12.898  -7.557   2.163
  614    H    LEU  76           H        LEU  76  -9.220  -4.425   2.927
  615    HA   LEU  76           HA       LEU  76  -7.542  -6.408   1.662
  616   1HB   LEU  76          1HB       LEU  76  -7.369  -3.596   2.454
  617   2HB   LEU  76          2HB       LEU  76  -5.849  -4.431   2.759
  618    HG   LEU  76           HG       LEU  76  -6.154  -5.403   0.374
  619   1HD1  LEU  76          3HD1      LEU  76  -8.533  -4.543   0.228
  620   2HD1  LEU  76          2HD1      LEU  76  -7.862  -2.916   0.114
  621   3HD1  LEU  76          1HD1      LEU  76  -7.507  -4.106  -1.138
  622   1HD2  LEU  76          1HD2      LEU  76  -5.530  -2.484   0.911
  623   2HD2  LEU  76          3HD2      LEU  76  -4.388  -3.827   0.892
  624   3HD2  LEU  76          2HD2      LEU  76  -5.155  -3.302  -0.606
  625    H    GLU  77           H        GLU  77  -5.678  -7.551   2.534
  626    HA   GLU  77           HA       GLU  77  -5.891  -8.036   5.482
  627   1HB   GLU  77          1HB       GLU  77  -6.115  -9.927   3.869
  628   2HB   GLU  77          2HB       GLU  77  -4.491  -9.581   3.271
  629   1HG   GLU  77          1HG       GLU  77  -3.826  -9.790   5.810
  630   2HG   GLU  77          2HG       GLU  77  -5.331 -10.701   5.928
  631    H    GLY  78           H        GLY  78  -4.317  -7.091   6.789
  632   1HA   GLY  78          2HA       GLY  78  -1.796  -6.200   5.466
  633   2HA   GLY  78          1HA       GLY  78  -1.715  -7.148   6.950
  634    H    TRP  79           H        TRP  79  -4.132  -4.591   6.232
  635    HA   TRP  79           HA       TRP  79  -2.841  -2.425   7.550
  636   1HB   TRP  79          1HB       TRP  79  -5.087  -1.450   7.705
  637   2HB   TRP  79          2HB       TRP  79  -4.925  -2.290   6.169
  638    HD1  TRP  79           HD1      TRP  79  -6.577  -4.211   5.673
  639    HE1  TRP  79           HE1      TRP  79  -8.498  -5.325   6.978
  640    HE3  TRP  79           HE3      TRP  79  -5.854  -2.110  10.271
  641    HZ2  TRP  79           HZ2      TRP  79  -9.591  -5.321   9.620
  642    HZ3  TRP  79           HZ3      TRP  79  -7.352  -2.678  12.161
  643    HH2  TRP  79           HH2      TRP  79  -9.218  -4.280  11.841
  644    H    GLU  80           H        GLU  80  -4.790  -5.075   8.973
  645    HA   GLU  80           HA       GLU  80  -4.788  -3.936  11.664
  646   1HB   GLU  80          1HB       GLU  80  -6.231  -5.852  10.487
  647   2HB   GLU  80          2HB       GLU  80  -4.977  -6.890  11.165
  648   1HG   GLU  80          1HG       GLU  80  -6.549  -4.860  12.774
  649   2HG   GLU  80          2HG       GLU  80  -6.941  -6.578  12.697
  650    H    GLU  81           H        GLU  81  -2.664  -6.242   9.918
  651    HA   GLU  81           HA       GLU  81  -1.063  -6.980  12.212
  652   1HB   GLU  81          1HB       GLU  81  -0.476  -6.933   9.233
  653   2HB   GLU  81          2HB       GLU  81   0.574  -7.694  10.429
  654   1HG   GLU  81          1HG       GLU  81  -1.336  -9.124  11.150
  655   2HG   GLU  81          2HG       GLU  81  -2.320  -8.410   9.872
  656    H    LEU  82           H        LEU  82  -0.909  -4.153  10.017
  657    HA   LEU  82           HA       LEU  82   1.776  -3.390  10.970
  658   1HB   LEU  82          1HB       LEU  82  -0.314  -1.845   9.391
  659   2HB   LEU  82          2HB       LEU  82   1.383  -1.400   9.560
  660    HG   LEU  82           HG       LEU  82   0.379  -3.979   8.312
  661   1HD1  LEU  82          2HD1      LEU  82   1.021  -1.289   7.227
  662   2HD1  LEU  82          1HD1      LEU  82   1.649  -2.668   6.322
  663   3HD1  LEU  82          3HD1      LEU  82  -0.084  -2.519   6.613
  664   1HD2  LEU  82          3HD2      LEU  82   3.056  -2.915   9.064
  665   2HD2  LEU  82          2HD2      LEU  82   2.501  -4.585   8.953
  666   3HD2  LEU  82          1HD2      LEU  82   2.939  -3.704   7.490
  667    H    GLU  83           H        GLU  83   1.724  -0.758  11.608
  668    HA   GLU  83           HA       GLU  83   0.730  -0.696  14.313
  669   1HB   GLU  83          1HB       GLU  83   1.869   1.284  12.366
  670   2HB   GLU  83          2HB       GLU  83   1.147   1.893  13.856
  671   1HG   GLU  83          1HG       GLU  83   3.260   1.526  14.670
  672   2HG   GLU  83          2HG       GLU  83   2.637  -0.111  14.879
  673    H    ASP  84           H        ASP  84  -0.938   0.867  15.184
  674    HA   ASP  84           HA       ASP  84  -3.379   0.776  13.507
  675   1HB   ASP  84          1HB       ASP  84  -2.841   1.725  16.341
  676   2HB   ASP  84          2HB       ASP  84  -4.445   1.606  15.615
  677    H    ASN  85           H        ASN  85  -1.274   3.272  14.988
  678    HA   ASN  85           HA       ASN  85  -2.821   5.559  14.182
  679   1HB   ASN  85          1HB       ASN  85  -0.625   5.230  15.683
  680   2HB   ASN  85          2HB       ASN  85   0.174   5.674  14.176
  681   1HD2  ASN  85          2HD2      ASN  85  -0.324   7.863  13.261
  682   2HD2  ASN  85          1HD2      ASN  85  -0.982   9.065  14.263
  683    H    GLU  86           H        GLU  86  -0.102   3.902  12.519
  684    HA   GLU  86           HA       GLU  86  -0.105   5.561  10.166
  685   1HB   GLU  86          1HB       GLU  86   0.639   2.648  10.611
  686   2HB   GLU  86          2HB       GLU  86   0.985   3.521   9.118
  687   1HG   GLU  86          1HG       GLU  86   2.559   4.904  10.125
  688   2HG   GLU  86          2HG       GLU  86   1.837   4.731  11.725
  689    H    LYS  87           H        LYS  87  -1.981   2.625  10.997
  690    HA   LYS  87           HA       LYS  87  -3.246   2.170   8.482
  691   1HB   LYS  87          1HB       LYS  87  -3.389   0.686  10.485
  692   2HB   LYS  87          2HB       LYS  87  -4.419   1.881  11.273
  693   1HG   LYS  87          1HG       LYS  87  -5.765   1.600   8.946
  694   2HG   LYS  87          2HG       LYS  87  -5.055  -0.008   9.069
  695   1HD   LYS  87          1HD       LYS  87  -7.124  -0.178  10.220
  696   2HD   LYS  87          2HD       LYS  87  -5.914  -0.018  11.494
  697   1HE   LYS  87          1HE       LYS  87  -6.436   2.597  11.108
  698   2HE   LYS  87          2HE       LYS  87  -8.005   1.922  10.621
  699   1HZ   LYS  87          1HZ       LYS  87  -8.018   0.601  12.656
  700   2HZ   LYS  87          3HZ       LYS  87  -6.544   1.291  13.133
  701   3HZ   LYS  87          2HZ       LYS  87  -7.934   2.260  13.013
  702    H    GLU  88           H        GLU  88  -4.131   4.430  11.117
  703    HA   GLU  88           HA       GLU  88  -6.625   5.356  10.075
  704   1HB   GLU  88          1HB       GLU  88  -4.494   6.410  11.884
  705   2HB   GLU  88          2HB       GLU  88  -5.638   7.592  11.244
  706   1HG   GLU  88          1HG       GLU  88  -7.487   5.975  11.980
  707   2HG   GLU  88          2HG       GLU  88  -6.235   5.132  12.893
  708    H    GLN  89           H        GLN  89  -3.280   6.325   9.213
  709    HA   GLN  89           HA       GLN  89  -3.927   8.609   7.611
  710   1HB   GLN  89          1HB       GLN  89  -1.636   7.463   8.381
  711   2HB   GLN  89          2HB       GLN  89  -1.733   6.746   6.772
  712   1HG   GLN  89          1HG       GLN  89  -2.213   9.181   5.972
  713   2HG   GLN  89          2HG       GLN  89  -1.529   9.654   7.528
  714   1HE2  GLN  89          1HE2      GLN  89  -0.748   8.049   4.422
  715   2HE2  GLN  89          2HE2      GLN  89   0.934   8.116   4.635
  716    H    ILE  90           H        ILE  90  -3.960   5.128   6.780
  717    HA   ILE  90           HA       ILE  90  -4.342   5.496   3.933
  718    HB   ILE  90           HB       ILE  90  -5.170   3.236   5.799
  719   1HG1  ILE  90          1HG1      ILE  90  -2.831   3.233   3.903
  720   2HG1  ILE  90          2HG1      ILE  90  -2.674   3.987   5.489
  721   1HG2  ILE  90          3HG2      ILE  90  -5.082   3.454   2.783
  722   2HG2  ILE  90          2HG2      ILE  90  -5.010   1.898   3.610
  723   3HG2  ILE  90          1HG2      ILE  90  -6.426   2.931   3.796
  724   1HD1  ILE  90          3HD1      ILE  90  -3.936   1.315   5.520
  725   2HD1  ILE  90          2HD1      ILE  90  -2.250   1.328   5.006
  726   3HD1  ILE  90          1HD1      ILE  90  -2.697   1.988   6.578
  727    H    THR  91           H        THR  91  -6.679   5.239   6.664
  728    HA   THR  91           HA       THR  91  -9.066   5.219   5.058
  729    HB   THR  91           HB       THR  91  -9.777   6.597   7.345
  730    HG1  THR  91           HG1      THR  91  -7.835   6.665   8.293
  731   1HG2  THR  91          3HG2      THR  91 -10.699   4.443   6.520
  732   2HG2  THR  91          2HG2      THR  91  -9.264   3.617   7.127
  733   3HG2  THR  91          1HG2      THR  91 -10.372   4.404   8.252
  734    H    GLN  92           H        GLN  92  -7.183   7.949   6.422
  735    HA   GLN  92           HA       GLN  92  -8.887  10.035   5.337
  736   1HB   GLN  92          1HB       GLN  92  -7.075  10.243   7.133
  737   2HB   GLN  92          2HB       GLN  92  -5.890  10.171   5.829
  738   1HG   GLN  92          1HG       GLN  92  -7.281  12.097   4.764
  739   2HG   GLN  92          2HG       GLN  92  -7.950  12.298   6.383
  740   1HE2  GLN  92          1HE2      GLN  92  -5.844  12.009   8.114
  741   2HE2  GLN  92          2HE2      GLN  92  -4.586  13.084   7.737
  742    H    HIS  93           H        HIS  93  -6.017   8.286   4.074
  743    HA   HIS  93           HA       HIS  93  -5.611   9.768   1.665
  744   1HB   HIS  93          1HB       HIS  93  -4.113   7.989   2.566
  745   2HB   HIS  93          2HB       HIS  93  -5.330   6.778   2.174
  746    HD1  HIS  93           HD1      HIS  93  -2.491   8.581   0.754
  747    HD2  HIS  93           HD2      HIS  93  -5.847   6.615  -0.738
  748    HE1  HIS  93           HE1      HIS  93  -2.028   8.133  -1.692
  749    H    ILE  94           H        ILE  94  -7.725   6.889   2.225
  750    HA   ILE  94           HA       ILE  94  -8.794   6.860  -0.471
  751    HB   ILE  94           HB       ILE  94  -9.811   5.798   2.192
  752   1HG1  ILE  94          1HG1      ILE  94  -8.923   4.061  -0.056
  753   2HG1  ILE  94          2HG1      ILE  94  -7.669   4.997   0.756
  754   1HG2  ILE  94          3HG2      ILE  94 -11.682   6.164   0.537
  755   2HG2  ILE  94          2HG2      ILE  94 -10.839   5.084  -0.573
  756   3HG2  ILE  94          1HG2      ILE  94 -11.433   4.472   0.971
  757   1HD1  ILE  94          2HD1      ILE  94  -8.760   4.116   2.950
  758   2HD1  ILE  94          1HD1      ILE  94  -9.494   2.900   1.904
  759   3HD1  ILE  94          3HD1      ILE  94  -7.738   3.021   2.016
  760    H    ALA  95           H        ALA  95  -9.841   8.495   2.540
  761    HA   ALA  95           HA       ALA  95 -12.337   9.524   1.566
  762   1HB   ALA  95          2HB       ALA  95 -10.418  10.921   3.457
  763   2HB   ALA  95          1HB       ALA  95 -12.175  11.072   3.419
  764   3HB   ALA  95          3HB       ALA  95 -11.430   9.563   3.947
  765    H    ASP  96           H        ASP  96  -8.997  10.795   1.278
  766    HA   ASP  96           HA       ASP  96  -9.669  13.325   0.082
  767   1HB   ASP  96          1HB       ASP  96  -7.283  11.506   0.138
  768   2HB   ASP  96          2HB       ASP  96  -7.280  12.840  -1.017
  769    H    LEU  97           H        LEU  97  -9.226  10.070  -1.374
  770    HA   LEU  97           HA       LEU  97  -9.577  11.105  -4.116
  771   1HB   LEU  97          1HB       LEU  97  -8.169   9.126  -3.570
  772   2HB   LEU  97          2HB       LEU  97  -9.608   8.270  -3.013
  773    HG   LEU  97           HG       LEU  97 -10.582   8.750  -5.351
  774   1HD1  LEU  97          1HD1      LEU  97  -7.665   9.443  -5.737
  775   2HD1  LEU  97          3HD1      LEU  97  -8.687   8.924  -7.076
  776   3HD1  LEU  97          2HD1      LEU  97  -9.079  10.396  -6.187
  777   1HD2  LEU  97          3HD2      LEU  97  -9.512   6.562  -4.403
  778   2HD2  LEU  97          2HD2      LEU  97  -9.747   6.699  -6.146
  779   3HD2  LEU  97          1HD2      LEU  97  -8.151   6.972  -5.448
  780    H    SER  98           H        SER  98 -11.608   9.391  -1.697
  781    HA   SER  98           HA       SER  98 -13.883   9.107  -3.522
  782   1HB   SER  98          1HB       SER  98 -13.456   7.655  -1.528
  783   2HB   SER  98          2HB       SER  98 -13.771   9.037  -0.483
  784    HG   SER  98           HG       SER  98 -15.528   7.655  -2.212
  785    H    SER  99           H        SER  99 -12.957  11.490  -0.993
  786    HA   SER  99           HA       SER  99 -15.342  13.130  -1.790
  787   1HB   SER  99          1HB       SER  99 -13.848  12.589   0.721
  788   2HB   SER  99          2HB       SER  99 -14.410  14.244   0.507
  789    HG   SER  99           HG       SER  99 -15.972  12.892   1.520
  790    H    LYS 100           H        LYS 100 -14.899  15.574  -1.798
  791    HA   LYS 100           HA       LYS 100 -12.082  16.137  -2.678
  792   1HB   LYS 100          1HB       LYS 100 -14.358  16.104  -4.206
  793   2HB   LYS 100          2HB       LYS 100 -14.301  17.798  -3.717
  794   1HG   LYS 100          1HG       LYS 100 -12.926  17.955  -5.548
  795   2HG   LYS 100          2HG       LYS 100 -11.709  17.451  -4.374
  796   1HD   LYS 100          1HD       LYS 100 -11.401  15.964  -6.186
  797   2HD   LYS 100          2HD       LYS 100 -12.356  15.035  -5.029
  798   1HE   LYS 100          1HE       LYS 100 -14.404  15.493  -6.255
  799   2HE   LYS 100          2HE       LYS 100 -13.549  16.603  -7.343
  800   1HZ   LYS 100          2HZ       LYS 100 -12.036  14.716  -7.876
  801   2HZ   LYS 100          1HZ       LYS 100 -13.084  13.689  -7.021
  802   3HZ   LYS 100          3HZ       LYS 100 -13.631  14.491  -8.411
  803    H    ALA 101           H        ALA 101 -11.707  18.684  -2.583
  804    HA   ALA 101           HA       ALA 101 -13.063  19.813  -0.158
  805   1HB   ALA 101          1HB       ALA 101 -10.120  20.094  -0.794
  806   2HB   ALA 101          2HB       ALA 101 -10.736  18.729   0.137
  807   3HB   ALA 101          3HB       ALA 101 -10.932  20.373   0.746
  808    H    ALA 102           H        ALA 102 -11.740  22.295  -0.117
  809    HA   ALA 102           HA       ALA 102 -12.487  23.447  -2.789
  810   1HB   ALA 102          2HB       ALA 102 -12.424  24.959  -0.186
  811   2HB   ALA 102          1HB       ALA 102 -13.423  25.249  -1.610
  812   3HB   ALA 102          3HB       ALA 102 -13.781  23.891  -0.543
  813    H    GLY 103           H        GLY 103 -11.224  25.530  -3.307
  814   1HA   GLY 103          2HA       GLY 103  -9.086  26.391  -3.809
  815   2HA   GLY 103          1HA       GLY 103  -8.375  25.063  -2.890
  816    H    THR 104           H        THR 104  -6.993  26.196  -1.473
  817    HA   THR 104           HA       THR 104  -8.149  28.497   0.040
  818    HB   THR 104           HB       THR 104  -8.568  26.434   1.317
  819    HG1  THR 104           HG1      THR 104  -8.094  28.073   2.653
  820   1HG2  THR 104          2HG2      THR 104  -5.573  26.032   1.069
  821   2HG2  THR 104          1HG2      THR 104  -6.633  25.079   2.109
  822   3HG2  THR 104          3HG2      THR 104  -6.827  25.016   0.356
  823    HA   PRO 105           HA       PRO 105  -4.068  30.049  -0.697
  824   1HB   PRO 105          1HB       PRO 105  -3.949  32.010   1.207
  825   2HB   PRO 105          2HB       PRO 105  -4.903  32.166  -0.281
  826   1HG   PRO 105          1HG       PRO 105  -5.794  31.495   2.475
  827   2HG   PRO 105          2HG       PRO 105  -6.585  32.487   1.241
  828   1HD   PRO 105          1HD       PRO 105  -7.303  29.913   1.810
  829   2HD   PRO 105          2HD       PRO 105  -7.556  30.684   0.229
  830    H    LYS 106           H        LYS 106  -3.050  27.979   0.134
  831    HA   LYS 106           HA       LYS 106  -1.630  26.792   1.597
  832   1HB   LYS 106          1HB       LYS 106  -0.663  29.246   1.222
  833   2HB   LYS 106          2HB       LYS 106  -1.006  29.394   2.946
  834   1HG   LYS 106          1HG       LYS 106   0.202  26.988   2.962
  835   2HG   LYS 106          2HG       LYS 106   0.998  27.691   1.554
  836   1HD   LYS 106          1HD       LYS 106   1.336  29.778   3.079
  837   2HD   LYS 106          2HD       LYS 106   1.017  28.658   4.405
  838   1HE   LYS 106          1HE       LYS 106   2.838  27.170   3.531
  839   2HE   LYS 106          2HE       LYS 106   3.212  28.411   2.318
  840   1HZ   LYS 106          2HZ       LYS 106   3.058  28.954   5.233
  841   2HZ   LYS 106          1HZ       LYS 106   4.513  28.614   4.425
  842   3HZ   LYS 106          3HZ       LYS 106   3.622  29.999   4.018
  843    H    LYS 107           H        LYS 107  -3.455  25.755   2.785
  844    HA   LYS 107           HA       LYS 107  -3.735  26.848   5.563
  845   1HB   LYS 107          1HB       LYS 107  -5.677  27.283   3.942
  846   2HB   LYS 107          2HB       LYS 107  -5.945  25.540   3.959
  847   1HG   LYS 107          1HG       LYS 107  -6.573  25.520   6.205
  848   2HG   LYS 107          2HG       LYS 107  -5.709  27.016   6.562
  849   1HD   LYS 107          1HD       LYS 107  -7.403  28.358   5.733
  850   2HD   LYS 107          2HD       LYS 107  -7.968  27.125   4.605
  851   1HE   LYS 107          1HE       LYS 107  -9.368  26.180   6.150
  852   2HE   LYS 107          2HE       LYS 107  -8.210  26.408   7.476
  853   1HZ   LYS 107          3HZ       LYS 107  -9.695  28.620   6.164
  854   2HZ   LYS 107          2HZ       LYS 107 -10.177  27.891   7.621
  855   3HZ   LYS 107          1HZ       LYS 107  -8.703  28.732   7.535
  856    H    LYS 108           H        LYS 108  -1.859  24.811   4.897
  857    HA   LYS 108           HA       LYS 108  -3.211  22.346   5.958
  858   1HB   LYS 108          1HB       LYS 108  -2.083  22.663   3.520
  859   2HB   LYS 108          2HB       LYS 108  -0.654  22.190   4.439
  860   1HG   LYS 108          1HG       LYS 108  -3.134  20.602   4.891
  861   2HG   LYS 108          2HG       LYS 108  -2.309  20.378   3.347
  862   1HD   LYS 108          1HD       LYS 108  -0.161  20.067   4.682
  863   2HD   LYS 108          2HD       LYS 108  -1.173  19.981   6.124
  864   1HE   LYS 108          1HE       LYS 108  -1.845  18.234   3.767
  865   2HE   LYS 108          2HE       LYS 108  -0.547  17.748   4.877
  866   1HZ   LYS 108          1HZ       LYS 108  -3.256  18.603   5.750
  867   2HZ   LYS 108          3HZ       LYS 108  -2.786  16.981   5.583
  868   3HZ   LYS 108          2HZ       LYS 108  -2.018  17.972   6.730
  869    H    ALA 109           H        ALA 109  -2.683  22.870   8.211
  870    HA   ALA 109           HA       ALA 109   0.259  22.926   8.807
  871   1HB   ALA 109          1HB       ALA 109  -1.376  24.902   9.323
  872   2HB   ALA 109          3HB       ALA 109  -1.940  23.873  10.639
  873   3HB   ALA 109          2HB       ALA 109  -0.254  24.388  10.583
  874    H    VAL 110           H        VAL 110   0.848  21.788  10.905
  875    HA   VAL 110           HA       VAL 110  -1.095  19.614  11.604
  876    HB   VAL 110           HB       VAL 110   0.656  18.823  10.056
  877   1HG1  VAL 110          1HG1      VAL 110   2.506  19.976  12.156
  878   2HG1  VAL 110          3HG1      VAL 110   3.043  18.803  10.953
  879   3HG1  VAL 110          2HG1      VAL 110   2.436  20.378  10.440
  880   1HG2  VAL 110          1HG2      VAL 110  -0.164  17.323  11.870
  881   2HG2  VAL 110          3HG2      VAL 110   1.507  16.976  11.421
  882   3HG2  VAL 110          2HG2      VAL 110   1.158  17.878  12.896
  883    H    VAL 111           H        VAL 111  -1.068  18.991  13.855
  884    HA   VAL 111           HA       VAL 111   0.591  20.767  15.622
  885    HB   VAL 111           HB       VAL 111  -2.145  19.513  16.052
  886   1HG1  VAL 111          1HG1      VAL 111  -0.410  20.149  18.016
  887   2HG1  VAL 111          3HG1      VAL 111  -1.116  21.741  17.739
  888   3HG1  VAL 111          2HG1      VAL 111  -2.150  20.382  18.179
  889   1HG2  VAL 111          2HG2      VAL 111  -1.264  22.334  15.371
  890   2HG2  VAL 111          1HG2      VAL 111  -2.313  21.284  14.417
  891   3HG2  VAL 111          3HG2      VAL 111  -2.880  21.936  15.956
  892    H    GLN 112           H        GLN 112   1.729  19.728  17.346
  893    HA   GLN 112           HA       GLN 112   1.574  16.729  17.364
  894   1HB   GLN 112          1HB       GLN 112   3.845  18.684  17.845
  895   2HB   GLN 112          2HB       GLN 112   3.982  16.944  18.096
  896   1HG   GLN 112          1HG       GLN 112   3.080  16.770  15.650
  897   2HG   GLN 112          2HG       GLN 112   3.596  18.451  15.522
  898   1HE2  GLN 112          1HE2      GLN 112   4.845  16.111  14.124
  899   2HE2  GLN 112          2HE2      GLN 112   6.453  16.063  14.664
  900    H    ALA 113           H        ALA 113   0.761  15.908  19.298
  901    HA   ALA 113           HA       ALA 113   1.046  17.611  21.755
  902   1HB   ALA 113          2HB       ALA 113  -1.250  17.272  20.747
  903   2HB   ALA 113          1HB       ALA 113  -1.076  15.550  21.086
  904   3HB   ALA 113          3HB       ALA 113  -1.105  16.711  22.413
  905    H    LYS 114           H        LYS 114   1.883  16.567  23.629
  906    HA   LYS 114           HA       LYS 114   2.697  13.700  23.263
  907   1HB   LYS 114          1HB       LYS 114   4.494  15.442  23.344
  908   2HB   LYS 114          2HB       LYS 114   3.932  15.899  24.953
  909   1HG   LYS 114          1HG       LYS 114   4.224  13.353  25.492
  910   2HG   LYS 114          2HG       LYS 114   5.272  13.356  24.074
  911   1HD   LYS 114          1HD       LYS 114   5.632  15.467  26.180
  912   2HD   LYS 114          2HD       LYS 114   6.297  13.856  26.443
  913   1HE   LYS 114          1HE       LYS 114   7.923  14.133  24.856
  914   2HE   LYS 114          2HE       LYS 114   6.837  15.019  23.765
  915   1HZ   LYS 114          2HZ       LYS 114   7.951  16.091  26.304
  916   2HZ   LYS 114          1HZ       LYS 114   8.530  16.476  24.753
  917   3HZ   LYS 114          3HZ       LYS 114   6.961  16.931  25.208
  918    H    LEU 115           H        LEU 115   1.017  12.578  24.369
  919    HA   LEU 115           HA       LEU 115   0.485  13.457  27.192
  920   1HB   LEU 115          1HB       LEU 115  -1.247  13.330  25.062
  921   2HB   LEU 115          2HB       LEU 115  -1.478  11.743  25.791
  922    HG   LEU 115           HG       LEU 115  -3.056  13.370  26.747
  923   1HD1  LEU 115          2HD1      LEU 115  -1.903  11.528  28.144
  924   2HD1  LEU 115          1HD1      LEU 115  -0.963  12.839  28.855
  925   3HD1  LEU 115          3HD1      LEU 115  -2.718  12.823  29.022
  926   1HD2  LEU 115          1HD2      LEU 115  -1.215  15.256  26.392
  927   2HD2  LEU 115          3HD2      LEU 115  -2.434  15.409  27.658
  928   3HD2  LEU 115          2HD2      LEU 115  -0.809  14.852  28.060
  929    H    THR 116           H        THR 116   1.363  11.983  28.653
  930    HA   THR 116           HA       THR 116   1.428   9.094  27.831
  931    HB   THR 116           HB       THR 116   3.417  10.626  29.538
  932    HG1  THR 116           HG1      THR 116   4.662  10.718  27.725
  933   1HG2  THR 116          3HG2      THR 116   3.365   7.840  28.357
  934   2HG2  THR 116          2HG2      THR 116   4.829   8.591  28.994
  935   3HG2  THR 116          1HG2      THR 116   3.459   8.284  30.062
  936    H    THR 117           H        THR 117   0.185   7.836  29.229
  937    HA   THR 117           HA       THR 117   0.022   8.667  32.099
  938    HB   THR 117           HB       THR 117  -2.469   8.034  31.852
  939    HG1  THR 117           HG1      THR 117  -2.491   7.085  29.881
  940   1HG2  THR 117          1HG2      THR 117  -1.562  10.367  32.065
  941   2HG2  THR 117          3HG2      THR 117  -1.503  10.453  30.305
  942   3HG2  THR 117          2HG2      THR 117  -3.052  10.270  31.127

  No H/Q in entry =         942
  Start of MODEL   13
    1    H1   MET   1           H        MET   1 -18.035 -10.537  -9.101
    2    H2   MET   1           HN2      MET   1 -19.510 -11.025  -9.792
    3    HA   MET   1           HA       MET   1 -18.136 -12.909  -8.945
    4   1HB   MET   1          1HB       MET   1 -19.915 -12.893 -10.779
    5   2HB   MET   1          2HB       MET   1 -18.589 -12.842 -11.941
    6   1HG   MET   1          1HG       MET   1 -17.775 -14.966 -11.278
    7   2HG   MET   1          2HG       MET   1 -18.708 -14.948  -9.781
    8   1HE   MET   1          2HE       MET   1 -18.290 -17.096 -11.755
    9   2HE   MET   1          1HE       MET   1 -19.621 -17.671 -10.755
   10   3HE   MET   1          3HE       MET   1 -19.749 -17.719 -12.520
   11    H    ALA   2           H        ALA   2 -15.915 -11.496  -8.710
   12    HA   ALA   2           HA       ALA   2 -14.034 -12.479 -10.836
   13   1HB   ALA   2          2HB       ALA   2 -14.045  -9.974  -9.123
   14   2HB   ALA   2          3HB       ALA   2 -14.285 -10.061 -10.868
   15   3HB   ALA   2          1HB       ALA   2 -12.707 -10.436 -10.175
   16    H    GLU   3           H        GLU   3 -11.614 -12.234  -9.640
   17    HA   GLU   3           HA       GLU   3 -11.778 -13.354  -6.884
   18   1HB   GLU   3          1HB       GLU   3 -11.820 -15.038  -8.963
   19   2HB   GLU   3          2HB       GLU   3 -10.078 -14.766  -8.899
   20   1HG   GLU   3          1HG       GLU   3 -10.514 -15.169  -6.283
   21   2HG   GLU   3          2HG       GLU   3 -11.859 -16.113  -6.925
   22    H    GLN   4           H        GLN   4 -10.693 -11.223  -6.390
   23    HA   GLN   4           HA       GLN   4  -7.787 -11.258  -7.152
   24   1HB   GLN   4          1HB       GLN   4  -9.768  -8.983  -6.841
   25   2HB   GLN   4          2HB       GLN   4  -8.029  -8.734  -6.996
   26   1HG   GLN   4          1HG       GLN   4  -7.992  -9.713  -9.182
   27   2HG   GLN   4          2HG       GLN   4  -9.640 -10.316  -9.010
   28   1HE2  GLN   4          1HE2      GLN   4 -10.409  -9.058 -10.901
   29   2HE2  GLN   4          2HE2      GLN   4 -10.567  -7.370 -10.808
   30    H    ARG   5           H        ARG   5  -6.321 -10.910  -5.405
   31    HA   ARG   5           HA       ARG   5  -7.582 -10.519  -2.707
   32   1HB   ARG   5          1HB       ARG   5  -6.689 -12.795  -3.207
   33   2HB   ARG   5          2HB       ARG   5  -5.103 -12.082  -3.503
   34   1HG   ARG   5          1HG       ARG   5  -4.704 -11.704  -1.279
   35   2HG   ARG   5          2HG       ARG   5  -6.399 -11.371  -0.925
   36   1HD   ARG   5          1HD       ARG   5  -5.890 -14.161  -1.752
   37   2HD   ARG   5          2HD       ARG   5  -5.117 -13.700  -0.223
   38    HE   ARG   5           HE       ARG   5  -7.280 -13.257   0.708
   39   1HH1  ARG   5          1HH1      ARG   5  -8.610 -11.846  -1.499
   40   2HH1  ARG   5          2HH1      ARG   5  -9.774 -12.999  -2.062
   41   1HH2  ARG   5          1HH2      ARG   5  -8.247 -15.696  -0.507
   42   2HH2  ARG   5          2HH2      ARG   5  -9.568 -15.178  -1.499
   43    H    PHE   6           H        PHE   6  -6.634  -8.906  -1.385
   44    HA   PHE   6           HA       PHE   6  -4.256  -7.469  -2.536
   45   1HB   PHE   6          1HB       PHE   6  -6.912  -6.662  -1.541
   46   2HB   PHE   6          2HB       PHE   6  -5.587  -5.701  -0.888
   47    HD1  PHE   6           HD1      PHE   6  -7.543  -6.514  -3.852
   48    HD2  PHE   6           HD2      PHE   6  -4.037  -4.486  -2.428
   49    HE1  PHE   6           HE1      PHE   6  -7.427  -5.229  -5.970
   50    HE2  PHE   6           HE2      PHE   6  -3.927  -3.194  -4.535
   51    HZ   PHE   6           HZ       PHE   6  -5.617  -3.566  -6.313
   52    H    CYS   7           H        CYS   7  -2.718  -6.621  -0.951
   53    HA   CYS   7           HA       CYS   7  -3.055  -7.578   1.857
   54   1HB   CYS   7          1HB       CYS   7  -0.824  -8.230  -0.087
   55   2HB   CYS   7          2HB       CYS   7  -0.667  -8.459   1.655
   56    HG   CYS   7           HG       CYS   7  -2.013 -10.394  -0.149
   57    H    VAL   8           H        VAL   8  -2.277  -6.029   3.321
   58    HA   VAL   8           HA       VAL   8  -0.822  -3.679   2.158
   59    HB   VAL   8           HB       VAL   8  -2.241  -4.056   4.822
   60   1HG1  VAL   8          2HG1      VAL   8  -0.410  -2.268   4.591
   61   2HG1  VAL   8          1HG1      VAL   8  -1.493  -1.466   3.454
   62   3HG1  VAL   8          3HG1      VAL   8  -1.994  -1.710   5.128
   63   1HG2  VAL   8          1HG2      VAL   8  -3.142  -2.985   2.148
   64   2HG2  VAL   8          3HG2      VAL   8  -3.942  -4.168   3.183
   65   3HG2  VAL   8          2HG2      VAL   8  -3.915  -2.466   3.644
   66    H    ASP   9           H        ASP   9   1.427  -4.126   2.291
   67    HA   ASP   9           HA       ASP   9   2.411  -5.153   4.938
   68   1HB   ASP   9          1HB       ASP   9   3.310  -5.525   2.074
   69   2HB   ASP   9          2HB       ASP   9   4.360  -5.921   3.435
   70    H    TYR  10           H        TYR  10   4.525  -4.303   5.633
   71    HA   TYR  10           HA       TYR  10   4.946  -1.478   4.706
   72   1HB   TYR  10          1HB       TYR  10   4.758  -2.833   7.249
   73   2HB   TYR  10          2HB       TYR  10   6.355  -2.101   7.115
   74    HD1  TYR  10           HD1      TYR  10   6.041   0.337   5.694
   75    HD2  TYR  10           HD2      TYR  10   3.310  -1.481   8.470
   76    HE1  TYR  10           HE1      TYR  10   5.075   2.562   6.198
   77    HE2  TYR  10           HE2      TYR  10   2.349   0.746   8.973
   78    HH   TYR  10           HH       TYR  10   2.420   3.214   7.256
   79    H    ALA  11           H        ALA  11   7.124  -0.788   4.200
   80    HA   ALA  11           HA       ALA  11   8.877  -2.934   3.196
   81   1HB   ALA  11          1HB       ALA  11   9.394   0.053   3.404
   82   2HB   ALA  11          2HB       ALA  11   8.496  -0.696   2.084
   83   3HB   ALA  11          3HB       ALA  11  10.199  -1.087   2.325
   84    H    LYS  12           H        LYS  12  10.441  -3.946   4.447
   85    HA   LYS  12           HA       LYS  12  11.855  -2.367   6.537
   86   1HB   LYS  12          1HB       LYS  12   9.874  -4.553   6.928
   87   2HB   LYS  12          2HB       LYS  12  11.317  -4.616   7.942
   88   1HG   LYS  12          1HG       LYS  12  10.796  -2.045   8.293
   89   2HG   LYS  12          2HG       LYS  12   9.163  -2.534   7.840
   90   1HD   LYS  12          1HD       LYS  12   9.673  -4.487   9.597
   91   2HD   LYS  12          2HD       LYS  12  10.759  -3.262  10.254
   92   1HE   LYS  12          1HE       LYS  12   9.031  -1.968  11.003
   93   2HE   LYS  12          2HE       LYS  12   8.063  -2.260   9.545
   94   1HZ   LYS  12          2HZ       LYS  12   8.587  -4.344  11.590
   95   2HZ   LYS  12          1HZ       LYS  12   7.203  -3.357  11.614
   96   3HZ   LYS  12          3HZ       LYS  12   7.473  -4.405  10.309
   97    H    ARG  13           H        ARG  13  12.796  -3.491   3.990
   98    HA   ARG  13           HA       ARG  13  14.780  -5.460   5.067
   99   1HB   ARG  13          1HB       ARG  13  12.755  -5.713   2.926
  100   2HB   ARG  13          2HB       ARG  13  14.370  -6.253   2.468
  101   1HG   ARG  13          1HG       ARG  13  14.390  -7.571   4.666
  102   2HG   ARG  13          2HG       ARG  13  12.659  -7.244   4.754
  103   1HD   ARG  13          1HD       ARG  13  12.178  -8.757   3.114
  104   2HD   ARG  13          2HD       ARG  13  13.567  -8.259   2.127
  105    HE   ARG  13           HE       ARG  13  13.737 -10.119   4.463
  106   1HH1  ARG  13          1HH1      ARG  13  16.219 -10.112   4.698
  107   2HH1  ARG  13          2HH1      ARG  13  17.039 -10.538   3.233
  108   1HH2  ARG  13          1HH2      ARG  13  14.256 -10.052   1.221
  109   2HH2  ARG  13          2HH2      ARG  13  15.927 -10.504   1.264
  110    H    GLY  14           H        GLY  14  14.106  -3.824   1.905
  111   1HA   GLY  14          2HA       GLY  14  16.598  -3.494   0.880
  112   2HA   GLY  14          1HA       GLY  14  16.610  -2.283   2.161
  113    H    THR  15           H        THR  15  16.465  -2.206  -0.984
  114    HA   THR  15           HA       THR  15  14.135  -0.312  -1.121
  115    HB   THR  15           HB       THR  15  15.602   0.999  -2.650
  116    HG1  THR  15           HG1      THR  15  16.961  -0.472  -3.486
  117   1HG2  THR  15          1HG2      THR  15  15.700   0.925   0.068
  118   2HG2  THR  15          3HG2      THR  15  17.388   0.595  -0.325
  119   3HG2  THR  15          2HG2      THR  15  16.619   2.068  -0.911
  120    H    ALA  16           H        ALA  16  12.586  -1.219  -2.505
  121    HA   ALA  16           HA       ALA  16  13.606  -2.722  -4.893
  122   1HB   ALA  16          3HB       ALA  16  11.033  -3.629  -4.383
  123   2HB   ALA  16          2HB       ALA  16  12.510  -4.437  -3.861
  124   3HB   ALA  16          1HB       ALA  16  11.672  -3.341  -2.764
  125    H    GLY  17           H        GLY  17  12.837  -2.012  -6.898
  126   1HA   GLY  17          2HA       GLY  17  11.600  -0.752  -8.446
  127   2HA   GLY  17          1HA       GLY  17  11.462   0.461  -7.169
  128    H    CYS  18           H        CYS  18   9.312   0.920  -6.755
  129    HA   CYS  18           HA       CYS  18   7.495  -1.151  -5.934
  130   1HB   CYS  18          1HB       CYS  18   5.859   0.640  -5.797
  131   2HB   CYS  18          2HB       CYS  18   7.411   1.226  -5.234
  132    H    LYS  19           H        LYS  19   6.181  -2.488  -7.080
  133    HA   LYS  19           HA       LYS  19   6.243  -2.440 -10.012
  134   1HB   LYS  19          1HB       LYS  19   4.856  -4.099  -7.895
  135   2HB   LYS  19          2HB       LYS  19   4.504  -4.332  -9.607
  136   1HG   LYS  19          1HG       LYS  19   7.332  -4.346  -8.544
  137   2HG   LYS  19          2HG       LYS  19   6.351  -5.811  -8.607
  138   1HD   LYS  19          1HD       LYS  19   5.931  -5.045 -11.103
  139   2HD   LYS  19          2HD       LYS  19   7.438  -4.160 -10.860
  140   1HE   LYS  19          1HE       LYS  19   8.438  -6.363 -10.010
  141   2HE   LYS  19          2HE       LYS  19   6.990  -7.151 -10.667
  142   1HZ   LYS  19          3HZ       LYS  19   7.435  -5.956 -12.780
  143   2HZ   LYS  19          2HZ       LYS  19   8.917  -5.434 -12.138
  144   3HZ   LYS  19          1HZ       LYS  19   8.632  -7.090 -12.384
  145    H    LYS  20           H        LYS  20   4.293  -2.152 -11.389
  146    HA   LYS  20           HA       LYS  20   2.291  -1.084 -12.011
  147   1HB   LYS  20          1HB       LYS  20   1.717  -2.419  -9.731
  148   2HB   LYS  20          2HB       LYS  20   1.409  -0.769  -9.184
  149   1HG   LYS  20          1HG       LYS  20  -0.654  -1.165 -10.094
  150   2HG   LYS  20          2HG       LYS  20   0.162  -0.685 -11.582
  151   1HD   LYS  20          1HD       LYS  20   0.822  -3.298 -11.554
  152   2HD   LYS  20          2HD       LYS  20  -0.710  -3.385 -10.686
  153   1HE   LYS  20          1HE       LYS  20  -1.933  -2.500 -12.510
  154   2HE   LYS  20          2HE       LYS  20  -0.472  -1.854 -13.285
  155   1HZ   LYS  20          2HZ       LYS  20  -0.970  -4.740 -12.783
  156   2HZ   LYS  20          1HZ       LYS  20  -1.232  -3.974 -14.276
  157   3HZ   LYS  20          3HZ       LYS  20   0.336  -4.067 -13.636
  158    H    CYS  21           H        CYS  21   4.800   0.501 -10.749
  159    HA   CYS  21           HA       CYS  21   3.780   3.093 -11.354
  160   1HB   CYS  21          1HB       CYS  21   3.879   4.035  -9.020
  161   2HB   CYS  21          2HB       CYS  21   2.525   2.969  -9.329
  162    H    LYS  22           H        LYS  22   5.476   4.740 -11.317
  163    HA   LYS  22           HA       LYS  22   8.187   3.547 -11.373
  164   1HB   LYS  22          1HB       LYS  22   7.034   6.257 -12.079
  165   2HB   LYS  22          2HB       LYS  22   8.752   5.886 -12.224
  166   1HG   LYS  22          1HG       LYS  22   8.351   4.187 -13.849
  167   2HG   LYS  22          2HG       LYS  22   6.619   4.177 -13.514
  168   1HD   LYS  22          1HD       LYS  22   6.926   6.776 -14.191
  169   2HD   LYS  22          2HD       LYS  22   8.216   6.065 -15.162
  170   1HE   LYS  22          1HE       LYS  22   6.503   5.724 -16.662
  171   2HE   LYS  22          2HE       LYS  22   6.190   4.298 -15.654
  172   1HZ   LYS  22          1HZ       LYS  22   4.752   5.654 -14.252
  173   2HZ   LYS  22          3HZ       LYS  22   5.025   7.003 -15.243
  174   3HZ   LYS  22          2HZ       LYS  22   4.196   5.653 -15.857
  175    H    GLU  23           H        GLU  23   8.684   3.206  -9.112
  176    HA   GLU  23           HA       GLU  23   9.861   5.513  -7.792
  177   1HB   GLU  23          1HB       GLU  23   7.184   5.360  -7.444
  178   2HB   GLU  23          2HB       GLU  23   7.711   4.343  -6.115
  179   1HG   GLU  23          1HG       GLU  23   8.350   6.106  -4.906
  180   2HG   GLU  23          2HG       GLU  23   9.368   6.698  -6.219
  181    H    LYS  24           H        LYS  24  10.291   4.648  -5.243
  182    HA   LYS  24           HA       LYS  24  11.281   1.811  -5.513
  183   1HB   LYS  24          1HB       LYS  24  12.573   4.271  -4.278
  184   2HB   LYS  24          2HB       LYS  24  13.243   2.642  -4.194
  185   1HG   LYS  24          1HG       LYS  24  12.878   2.771  -6.842
  186   2HG   LYS  24          2HG       LYS  24  13.058   4.497  -6.523
  187   1HD   LYS  24          1HD       LYS  24  15.159   3.904  -5.206
  188   2HD   LYS  24          2HD       LYS  24  15.023   2.285  -5.894
  189   1HE   LYS  24          1HE       LYS  24  15.138   3.216  -8.171
  190   2HE   LYS  24          2HE       LYS  24  15.235   4.858  -7.502
  191   1HZ   LYS  24          1HZ       LYS  24  17.103   2.683  -6.736
  192   2HZ   LYS  24          3HZ       LYS  24  17.435   3.778  -7.989
  193   3HZ   LYS  24          2HZ       LYS  24  17.245   4.342  -6.397
  194    H    ILE  25           H        ILE  25  11.307   0.603  -3.484
  195    HA   ILE  25           HA       ILE  25   9.470   1.760  -1.410
  196    HB   ILE  25           HB       ILE  25  10.169  -1.113  -2.119
  197   1HG1  ILE  25          1HG1      ILE  25   7.586   0.401  -2.600
  198   2HG1  ILE  25          2HG1      ILE  25   8.837   0.212  -3.828
  199   1HG2  ILE  25          1HG2      ILE  25   9.300  -0.289   0.296
  200   2HG2  ILE  25          3HG2      ILE  25   7.750  -0.386  -0.540
  201   3HG2  ILE  25          2HG2      ILE  25   8.781  -1.812  -0.425
  202   1HD1  ILE  25          1HD1      ILE  25   7.804  -2.216  -2.396
  203   2HD1  ILE  25          3HD1      ILE  25   6.858  -1.518  -3.712
  204   3HD1  ILE  25          2HD1      ILE  25   8.500  -2.088  -4.012
  205    H    VAL  26           H        VAL  26  10.886   2.705   0.122
  206    HA   VAL  26           HA       VAL  26  13.158   1.002   1.093
  207    HB   VAL  26           HB       VAL  26  14.165   3.129   1.801
  208   1HG1  VAL  26          2HG1      VAL  26  14.276   2.263  -0.621
  209   2HG1  VAL  26          1HG1      VAL  26  13.124   3.545  -1.001
  210   3HG1  VAL  26          3HG1      VAL  26  14.713   3.950  -0.349
  211   1HG2  VAL  26          3HG2      VAL  26  11.840   4.206   2.223
  212   2HG2  VAL  26          2HG2      VAL  26  13.112   5.235   1.571
  213   3HG2  VAL  26          1HG2      VAL  26  11.864   4.594   0.503
  214    H    LYS  27           H        LYS  27  13.598   1.146   3.467
  215    HA   LYS  27           HA       LYS  27  11.432   0.394   5.101
  216   1HB   LYS  27          1HB       LYS  27  14.020   1.817   5.802
  217   2HB   LYS  27          2HB       LYS  27  12.950   1.107   7.011
  218   1HG   LYS  27          1HG       LYS  27  13.130  -1.076   5.696
  219   2HG   LYS  27          2HG       LYS  27  14.446  -0.317   4.799
  220   1HD   LYS  27          1HD       LYS  27  15.484   0.207   7.094
  221   2HD   LYS  27          2HD       LYS  27  14.324  -0.950   7.748
  222   1HE   LYS  27          1HE       LYS  27  15.211  -2.728   6.342
  223   2HE   LYS  27          2HE       LYS  27  16.284  -1.582   5.513
  224   1HZ   LYS  27          1HZ       LYS  27  16.294  -2.002   8.451
  225   2HZ   LYS  27          3HZ       LYS  27  17.344  -2.815   7.395
  226   3HZ   LYS  27          2HZ       LYS  27  17.418  -1.122   7.529
  227    H    GLY  28           H        GLY  28   9.815   1.490   6.267
  228   1HA   GLY  28          2HA       GLY  28  10.039   4.448   6.499
  229   2HA   GLY  28          1HA       GLY  28   8.977   3.430   7.463
  230    H    VAL  29           H        VAL  29   8.463   2.176   4.443
  231    HA   VAL  29           HA       VAL  29   6.297   4.163   3.883
  232    HB   VAL  29           HB       VAL  29   8.273   4.247   2.328
  233   1HG1  VAL  29          3HG1      VAL  29   8.162   1.470   2.459
  234   2HG1  VAL  29          2HG1      VAL  29   7.507   1.824   0.864
  235   3HG1  VAL  29          1HG1      VAL  29   9.108   2.408   1.309
  236   1HG2  VAL  29          3HG2      VAL  29   5.963   4.899   1.641
  237   2HG2  VAL  29          2HG2      VAL  29   6.927   4.286   0.297
  238   3HG2  VAL  29          1HG2      VAL  29   5.708   3.257   1.049
  239    H    CYS  30           H        CYS  30   4.233   3.268   3.550
  240    HA   CYS  30           HA       CYS  30   3.993   0.316   3.918
  241   1HB   CYS  30          1HB       CYS  30   2.655   1.928   5.278
  242   2HB   CYS  30          2HB       CYS  30   1.893   2.510   3.798
  243    HG   CYS  30           HG       CYS  30   0.628   0.314   3.558
  244    H    ARG  31           H        ARG  31   3.228  -1.068   2.263
  245    HA   ARG  31           HA       ARG  31   2.336   0.240  -0.284
  246   1HB   ARG  31          1HB       ARG  31   3.793  -1.392  -1.476
  247   2HB   ARG  31          2HB       ARG  31   4.724  -0.333  -0.419
  248   1HG   ARG  31          1HG       ARG  31   4.900  -2.047   1.269
  249   2HG   ARG  31          2HG       ARG  31   3.759  -3.083   0.410
  250   1HD   ARG  31          1HD       ARG  31   5.348  -3.814  -1.069
  251   2HD   ARG  31          2HD       ARG  31   6.125  -2.221  -1.167
  252    HE   ARG  31           HE       ARG  31   7.048  -2.718   1.152
  253   1HH1  ARG  31          1HH1      ARG  31   5.683  -5.199   1.839
  254   2HH1  ARG  31          2HH1      ARG  31   6.794  -6.429   1.337
  255   1HH2  ARG  31          1HH2      ARG  31   8.627  -4.314  -0.710
  256   2HH2  ARG  31          2HH2      ARG  31   8.460  -5.928  -0.107
  257    H    ILE  32           H        ILE  32   0.776  -1.009  -1.483
  258    HA   ILE  32           HA       ILE  32  -0.388  -3.299   0.059
  259    HB   ILE  32           HB       ILE  32  -1.692  -1.774  -2.216
  260   1HG1  ILE  32          1HG1      ILE  32  -1.983  -1.080   0.728
  261   2HG1  ILE  32          2HG1      ILE  32  -0.921  -0.186  -0.360
  262   1HG2  ILE  32          3HG2      ILE  32  -2.497  -4.017  -1.049
  263   2HG2  ILE  32          2HG2      ILE  32  -3.103  -2.892   0.166
  264   3HG2  ILE  32          1HG2      ILE  32  -3.648  -2.762  -1.505
  265   1HD1  ILE  32          1HD1      ILE  32  -3.706  -0.623  -1.303
  266   2HD1  ILE  32          3HD1      ILE  32  -3.497   0.505   0.038
  267   3HD1  ILE  32          2HD1      ILE  32  -2.662   0.787  -1.490
  268    H    GLY  33           H        GLY  33  -0.025  -5.345  -0.819
  269   1HA   GLY  33          2HA       GLY  33   1.138  -6.716  -2.469
  270   2HA   GLY  33          1HA       GLY  33   0.802  -5.475  -3.678
  271    H    LYS  34           H        LYS  34  -0.477  -6.617  -5.177
  272    HA   LYS  34           HA       LYS  34  -3.055  -7.709  -4.102
  273   1HB   LYS  34          1HB       LYS  34  -3.237  -5.843  -5.665
  274   2HB   LYS  34          2HB       LYS  34  -2.217  -6.677  -6.835
  275   1HG   LYS  34          1HG       LYS  34  -3.915  -8.472  -7.015
  276   2HG   LYS  34          2HG       LYS  34  -4.937  -7.609  -5.865
  277   1HD   LYS  34          1HD       LYS  34  -5.685  -7.096  -8.127
  278   2HD   LYS  34          2HD       LYS  34  -4.959  -5.652  -7.420
  279   1HE   LYS  34          1HE       LYS  34  -2.949  -5.914  -8.686
  280   2HE   LYS  34          2HE       LYS  34  -3.370  -7.577  -9.143
  281   1HZ   LYS  34          2HZ       LYS  34  -5.358  -6.696 -10.253
  282   2HZ   LYS  34          1HZ       LYS  34  -4.851  -5.114  -9.901
  283   3HZ   LYS  34          3HZ       LYS  34  -3.929  -6.086 -10.941
  284    H    VAL  35           H        VAL  35  -3.231  -9.966  -4.138
  285    HA   VAL  35           HA       VAL  35  -1.260 -11.478  -5.807
  286    HB   VAL  35           HB       VAL  35  -3.133 -12.361  -3.578
  287   1HG1  VAL  35          3HG1      VAL  35  -2.186 -14.038  -5.379
  288   2HG1  VAL  35          2HG1      VAL  35  -0.682 -13.844  -4.479
  289   3HG1  VAL  35          1HG1      VAL  35  -2.121 -14.460  -3.668
  290   1HG2  VAL  35          1HG2      VAL  35  -1.191 -10.693  -3.083
  291   2HG2  VAL  35          3HG2      VAL  35  -1.321 -12.142  -2.086
  292   3HG2  VAL  35          2HG2      VAL  35  -0.137 -12.073  -3.391
  293    H    VAL  36           H        VAL  36  -2.038 -12.059  -7.835
  294    HA   VAL  36           HA       VAL  36  -4.912 -12.890  -8.009
  295    HB   VAL  36           HB       VAL  36  -4.343 -10.716  -9.095
  296   1HG1  VAL  36          3HG1      VAL  36  -2.028 -12.090  -9.946
  297   2HG1  VAL  36          2HG1      VAL  36  -2.965 -11.802 -11.406
  298   3HG1  VAL  36          1HG1      VAL  36  -2.507 -10.452 -10.371
  299   1HG2  VAL  36          3HG2      VAL  36  -5.258 -13.091 -10.688
  300   2HG2  VAL  36          2HG2      VAL  36  -6.194 -11.717 -10.099
  301   3HG2  VAL  36          1HG2      VAL  36  -5.110 -11.521 -11.477
  302    HA   PRO  37           HA       PRO  37  -3.095 -16.714  -9.388
  303   1HB   PRO  37          1HB       PRO  37  -5.356 -17.964 -10.277
  304   2HB   PRO  37          2HB       PRO  37  -4.973 -17.779  -8.554
  305   1HG   PRO  37          1HG       PRO  37  -6.885 -16.264 -10.240
  306   2HG   PRO  37          2HG       PRO  37  -6.998 -16.727  -8.536
  307   1HD   PRO  37          1HD       PRO  37  -6.325 -14.211  -9.440
  308   2HD   PRO  37          2HD       PRO  37  -5.925 -14.852  -7.834
  309    H    ASN  38           H        ASN  38  -2.492 -17.710 -11.426
  310    HA   ASN  38           HA       ASN  38  -3.175 -16.043 -13.822
  311   1HB   ASN  38          1HB       ASN  38  -0.894 -17.829 -12.990
  312   2HB   ASN  38          2HB       ASN  38  -1.134 -17.446 -14.695
  313   1HD2  ASN  38          2HD2      ASN  38   1.126 -16.505 -12.943
  314   2HD2  ASN  38          1HD2      ASN  38   1.033 -14.811 -12.961
  315    HA   PRO  39           HA       PRO  39  -5.431 -19.357 -15.647
  316   1HB   PRO  39          1HB       PRO  39  -4.729 -19.208 -18.289
  317   2HB   PRO  39          2HB       PRO  39  -5.795 -18.025 -17.506
  318   1HG   PRO  39          1HG       PRO  39  -2.900 -17.820 -18.161
  319   2HG   PRO  39          2HG       PRO  39  -4.170 -16.590 -18.259
  320   1HD   PRO  39          1HD       PRO  39  -2.354 -16.717 -16.230
  321   2HD   PRO  39          2HD       PRO  39  -3.983 -16.032 -16.049
  322    H    PHE  40           H        PHE  40  -2.004 -19.237 -16.779
  323    HA   PHE  40           HA       PHE  40  -1.943 -22.230 -16.542
  324   1HB   PHE  40          1HB       PHE  40  -1.879 -20.941 -18.863
  325   2HB   PHE  40          2HB       PHE  40  -0.187 -20.696 -18.430
  326    HD1  PHE  40           HD1      PHE  40  -2.203 -22.749 -20.289
  327    HD2  PHE  40           HD2      PHE  40   0.796 -23.017 -17.224
  328    HE1  PHE  40           HE1      PHE  40  -1.683 -25.068 -20.998
  329    HE2  PHE  40           HE2      PHE  40   1.315 -25.335 -17.934
  330    HZ   PHE  40           HZ       PHE  40   0.075 -26.360 -19.821
  331    H    SER  41           H        SER  41  -0.901 -22.307 -14.466
  332    HA   SER  41           HA       SER  41   1.888 -21.227 -14.429
  333   1HB   SER  41          1HB       SER  41   1.323 -20.591 -11.996
  334   2HB   SER  41          2HB       SER  41   0.615 -19.588 -13.259
  335    HG   SER  41           HG       SER  41  -0.593 -21.672 -11.763
  336    H    GLU  42           H        GLU  42   3.279 -22.905 -13.866
  337    HA   GLU  42           HA       GLU  42   2.100 -25.289 -12.486
  338   1HB   GLU  42          1HB       GLU  42   4.425 -24.749 -14.313
  339   2HB   GLU  42          2HB       GLU  42   4.474 -26.168 -13.265
  340   1HG   GLU  42          1HG       GLU  42   2.130 -26.712 -14.164
  341   2HG   GLU  42          2HG       GLU  42   2.450 -25.503 -15.407
  342    H    SER  43           H        SER  43   5.142 -23.324 -12.396
  343    HA   SER  43           HA       SER  43   5.670 -24.295  -9.636
  344   1HB   SER  43          1HB       SER  43   7.271 -23.671 -11.760
  345   2HB   SER  43          2HB       SER  43   7.348 -22.168 -10.847
  346    HG   SER  43           HG       SER  43   8.896 -23.937 -10.313
  347    H    GLY  44           H        GLY  44   4.894 -21.195 -11.296
  348   1HA   GLY  44          2HA       GLY  44   4.411 -19.085 -10.345
  349   2HA   GLY  44          1HA       GLY  44   4.899 -19.716  -8.771
  350    H    GLY  45           H        GLY  45   2.207 -18.836 -10.703
  351   1HA   GLY  45          2HA       GLY  45   0.380 -20.214  -8.771
  352   2HA   GLY  45          1HA       GLY  45  -0.032 -20.021 -10.476
  353    H    ASP  46           H        ASP  46   1.031 -17.947  -7.705
  354    HA   ASP  46           HA       ASP  46  -1.050 -15.963  -8.578
  355   1HB   ASP  46          1HB       ASP  46  -0.015 -16.974  -5.947
  356   2HB   ASP  46          2HB       ASP  46  -0.658 -15.334  -6.028
  357    H    MET  47           H        MET  47  -0.383 -13.757  -8.778
  358    HA   MET  47           HA       MET  47   2.566 -13.279  -8.465
  359   1HB   MET  47          1HB       MET  47   0.536 -12.714 -10.545
  360   2HB   MET  47          2HB       MET  47   1.654 -11.388 -10.220
  361   1HG   MET  47          1HG       MET  47   2.539 -14.233 -10.766
  362   2HG   MET  47          2HG       MET  47   2.449 -12.980 -12.005
  363   1HE   MET  47          1HE       MET  47   4.053 -11.635 -12.652
  364   2HE   MET  47          3HE       MET  47   5.698 -11.504 -12.014
  365   3HE   MET  47          2HE       MET  47   5.104 -13.048 -12.620
  366    H    LYS  48           H        LYS  48   3.192 -11.456  -7.238
  367    HA   LYS  48           HA       LYS  48   0.994  -9.651  -6.273
  368   1HB   LYS  48          1HB       LYS  48   1.936 -11.511  -4.716
  369   2HB   LYS  48          2HB       LYS  48   3.380 -10.501  -4.631
  370   1HG   LYS  48          1HG       LYS  48   1.562  -8.601  -4.150
  371   2HG   LYS  48          2HG       LYS  48   0.642  -9.985  -3.561
  372   1HD   LYS  48          1HD       LYS  48   3.483  -9.379  -2.703
  373   2HD   LYS  48          2HD       LYS  48   2.059  -8.865  -1.797
  374   1HE   LYS  48          1HE       LYS  48   2.141 -11.743  -2.557
  375   2HE   LYS  48          2HE       LYS  48   3.295 -11.221  -1.314
  376   1HZ   LYS  48          3HZ       LYS  48   0.400 -10.553  -1.305
  377   2HZ   LYS  48          2HZ       LYS  48   1.094 -11.806  -0.391
  378   3HZ   LYS  48          1HZ       LYS  48   1.525 -10.190  -0.090
  379    H    GLU  49           H        GLU  49   1.484  -7.466  -6.595
  380    HA   GLU  49           HA       GLU  49   4.337  -6.782  -7.243
  381   1HB   GLU  49          1HB       GLU  49   1.643  -5.955  -8.262
  382   2HB   GLU  49          2HB       GLU  49   2.947  -4.770  -8.319
  383   1HG   GLU  49          1HG       GLU  49   3.294  -5.805 -10.354
  384   2HG   GLU  49          2HG       GLU  49   4.292  -6.840  -9.332
  385    H    TRP  50           H        TRP  50   5.304  -5.101  -6.008
  386    HA   TRP  50           HA       TRP  50   3.716  -4.116  -3.684
  387   1HB   TRP  50          1HB       TRP  50   6.642  -3.913  -4.460
  388   2HB   TRP  50          2HB       TRP  50   5.974  -3.240  -2.978
  389    HD1  TRP  50           HD1      TRP  50   7.977  -5.921  -3.792
  390    HE1  TRP  50           HE1      TRP  50   7.577  -8.013  -2.351
  391    HE3  TRP  50           HE3      TRP  50   3.355  -4.811  -1.867
  392    HZ2  TRP  50           HZ2      TRP  50   5.568  -9.083  -0.612
  393    HZ3  TRP  50           HZ3      TRP  50   2.238  -6.383  -0.319
  394    HH2  TRP  50           HH2      TRP  50   3.335  -8.517   0.309
  395    H    TYR  51           H        TYR  51   2.555  -2.195  -4.079
  396    HA   TYR  51           HA       TYR  51   4.072  -0.064  -5.530
  397   1HB   TYR  51          1HB       TYR  51   1.575   0.766  -5.996
  398   2HB   TYR  51          2HB       TYR  51   2.405  -0.320  -7.082
  399    HD1  TYR  51           HD1      TYR  51   1.803  -2.688  -7.207
  400    HD2  TYR  51           HD2      TYR  51  -0.227   0.019  -4.570
  401    HE1  TYR  51           HE1      TYR  51  -0.048  -4.319  -6.970
  402    HE2  TYR  51           HE2      TYR  51  -2.086  -1.607  -4.332
  403    HH   TYR  51           HH       TYR  51  -2.807  -3.842  -6.264
  404    H    HIS  52           H        HIS  52   3.125   2.195  -4.926
  405    HA   HIS  52           HA       HIS  52   3.060   2.308  -1.960
  406   1HB   HIS  52          1HB       HIS  52   3.182   4.376  -4.174
  407   2HB   HIS  52          2HB       HIS  52   3.257   4.777  -2.460
  408    HD2  HIS  52           HD2      HIS  52   5.610   3.743  -1.105
  409    HE1  HIS  52           HE1      HIS  52   7.783   3.110  -4.674
  410    HE2  HIS  52           HE2      HIS  52   7.910   3.240  -2.171
  411    H    ILE  53           H        ILE  53   1.502   4.411  -1.289
  412    HA   ILE  53           HA       ILE  53  -1.237   3.440  -1.861
  413    HB   ILE  53           HB       ILE  53  -0.369   5.872  -0.255
  414   1HG1  ILE  53          1HG1      ILE  53   0.802   3.848   0.607
  415   2HG1  ILE  53          2HG1      ILE  53  -0.416   4.419   1.740
  416   1HG2  ILE  53          2HG2      ILE  53  -2.781   5.590  -0.919
  417   2HG2  ILE  53          1HG2      ILE  53  -2.805   4.089  -0.002
  418   3HG2  ILE  53          3HG2      ILE  53  -2.516   5.616   0.823
  419   1HD1  ILE  53          1HD1      ILE  53  -0.866   2.207  -0.276
  420   2HD1  ILE  53          3HD1      ILE  53  -0.474   1.945   1.426
  421   3HD1  ILE  53          2HD1      ILE  53  -1.988   2.737   0.978
  422    H    LYS  54           H        LYS  54   0.527   6.583  -2.155
  423    HA   LYS  54           HA       LYS  54  -1.463   7.891  -3.764
  424   1HB   LYS  54          1HB       LYS  54   0.626   8.855  -2.578
  425   2HB   LYS  54          2HB       LYS  54   1.524   8.333  -4.004
  426   1HG   LYS  54          1HG       LYS  54  -0.101   9.645  -5.414
  427   2HG   LYS  54          2HG       LYS  54  -0.792  10.286  -3.922
  428   1HD   LYS  54          1HD       LYS  54   1.815  10.790  -3.444
  429   2HD   LYS  54          2HD       LYS  54   1.825  10.882  -5.206
  430   1HE   LYS  54          1HE       LYS  54   1.193  13.062  -4.787
  431   2HE   LYS  54          2HE       LYS  54  -0.420  12.330  -4.665
  432   1HZ   LYS  54          1HZ       LYS  54   0.104  11.886  -2.282
  433   2HZ   LYS  54          3HZ       LYS  54   1.494  12.842  -2.453
  434   3HZ   LYS  54          2HZ       LYS  54  -0.044  13.534  -2.664
  435    H    CYS  55           H        CYS  55   1.282   5.772  -4.661
  436    HA   CYS  55           HA       CYS  55   1.117   6.121  -7.509
  437   1HB   CYS  55          1HB       CYS  55   2.012   3.887  -5.683
  438   2HB   CYS  55          2HB       CYS  55   2.022   3.657  -7.422
  439    H    MET  56           H        MET  56  -0.395   3.626  -5.403
  440    HA   MET  56           HA       MET  56  -1.988   2.475  -7.548
  441   1HB   MET  56          1HB       MET  56  -1.326   1.455  -5.277
  442   2HB   MET  56          2HB       MET  56  -2.643   2.405  -4.594
  443   1HG   MET  56          1HG       MET  56  -3.519   0.213  -5.106
  444   2HG   MET  56          2HG       MET  56  -4.181   1.342  -6.288
  445   1HE   MET  56          1HE       MET  56  -4.947  -0.179  -7.517
  446   2HE   MET  56          3HE       MET  56  -4.130  -0.292  -9.082
  447   3HE   MET  56          2HE       MET  56  -4.209  -1.697  -8.023
  448    H    PHE  57           H        PHE  57  -2.732   4.814  -4.928
  449    HA   PHE  57           HA       PHE  57  -5.487   5.198  -5.685
  450   1HB   PHE  57          1HB       PHE  57  -3.456   6.656  -4.044
  451   2HB   PHE  57          2HB       PHE  57  -4.904   7.543  -4.517
  452    HD1  PHE  57           HD1      PHE  57  -3.770   4.353  -2.921
  453    HD2  PHE  57           HD2      PHE  57  -6.957   7.194  -3.396
  454    HE1  PHE  57           HE1      PHE  57  -5.064   3.193  -1.157
  455    HE2  PHE  57           HE2      PHE  57  -8.253   6.032  -1.631
  456    HZ   PHE  57           HZ       PHE  57  -7.306   4.031  -0.511
  457    H    GLU  58           H        GLU  58  -2.456   6.595  -6.961
  458    HA   GLU  58           HA       GLU  58  -3.656   8.784  -8.412
  459   1HB   GLU  58          1HB       GLU  58  -1.138   7.155  -8.619
  460   2HB   GLU  58          2HB       GLU  58  -1.547   8.249  -9.942
  461   1HG   GLU  58          1HG       GLU  58  -1.722   9.303  -7.151
  462   2HG   GLU  58          2HG       GLU  58  -0.119   9.088  -7.855
  463    H    LYS  59           H        LYS  59  -3.085   5.354  -9.293
  464    HA   LYS  59           HA       LYS  59  -4.103   5.590 -12.000
  465   1HB   LYS  59          1HB       LYS  59  -2.773   3.670 -10.732
  466   2HB   LYS  59          2HB       LYS  59  -4.394   3.074 -10.375
  467   1HG   LYS  59          1HG       LYS  59  -4.116   2.025 -12.397
  468   2HG   LYS  59          2HG       LYS  59  -4.693   3.577 -13.007
  469   1HD   LYS  59          1HD       LYS  59  -2.725   3.154 -14.257
  470   2HD   LYS  59          2HD       LYS  59  -2.212   4.290 -13.009
  471   1HE   LYS  59          1HE       LYS  59  -0.544   2.625 -12.893
  472   2HE   LYS  59          2HE       LYS  59  -1.680   2.098 -11.636
  473   1HZ   LYS  59          2HZ       LYS  59  -2.846   0.811 -13.401
  474   2HZ   LYS  59          1HZ       LYS  59  -1.558   1.163 -14.452
  475   3HZ   LYS  59          3HZ       LYS  59  -1.283   0.242 -13.054
  476    H    LEU  60           H        LEU  60  -5.654   4.782  -8.869
  477    HA   LEU  60           HA       LEU  60  -8.272   4.146  -9.827
  478   1HB   LEU  60          1HB       LEU  60  -7.071   5.199  -7.301
  479   2HB   LEU  60          2HB       LEU  60  -8.810   5.419  -7.488
  480    HG   LEU  60           HG       LEU  60  -9.035   2.985  -7.979
  481   1HD1  LEU  60          1HD1      LEU  60  -6.730   2.636  -8.824
  482   2HD1  LEU  60          3HD1      LEU  60  -6.101   2.914  -7.200
  483   3HD1  LEU  60          2HD1      LEU  60  -7.117   1.508  -7.525
  484   1HD2  LEU  60          2HD2      LEU  60  -7.987   4.089  -5.413
  485   2HD2  LEU  60          1HD2      LEU  60  -9.531   3.307  -5.753
  486   3HD2  LEU  60          3HD2      LEU  60  -8.075   2.333  -5.549
  487    H    GLU  61           H        GLU  61  -6.795   7.344  -9.095
  488    HA   GLU  61           HA       GLU  61  -9.111   8.963  -9.582
  489   1HB   GLU  61          1HB       GLU  61  -6.684   9.532  -8.726
  490   2HB   GLU  61          2HB       GLU  61  -6.343   9.801 -10.435
  491   1HG   GLU  61          1HG       GLU  61  -8.654  11.180 -10.230
  492   2HG   GLU  61          2HG       GLU  61  -8.059  11.367  -8.580
  493    H    ARG  62           H        ARG  62  -6.755   7.509 -11.846
  494    HA   ARG  62           HA       ARG  62  -8.296   8.662 -14.142
  495   1HB   ARG  62          1HB       ARG  62  -5.501   7.623 -13.699
  496   2HB   ARG  62          2HB       ARG  62  -6.159   7.703 -15.334
  497   1HG   ARG  62          1HG       ARG  62  -6.417  10.108 -13.564
  498   2HG   ARG  62          2HG       ARG  62  -4.857   9.772 -14.318
  499   1HD   ARG  62          1HD       ARG  62  -6.010   9.651 -16.546
  500   2HD   ARG  62          2HD       ARG  62  -7.512  10.158 -15.746
  501    HE   ARG  62           HE       ARG  62  -6.371  12.259 -15.106
  502   1HH1  ARG  62          1HH1      ARG  62  -3.759  10.531 -15.983
  503   2HH1  ARG  62          2HH1      ARG  62  -3.175  11.608 -17.207
  504   1HH2  ARG  62          1HH2      ARG  62  -6.069  13.516 -17.285
  505   2HH2  ARG  62          2HH2      ARG  62  -4.483  13.297 -17.945
  506    H    ALA  63           H        ALA  63  -9.223   6.260 -12.503
  507    HA   ALA  63           HA       ALA  63  -8.966   4.122 -14.591
  508   1HB   ALA  63          2HB       ALA  63  -9.647   2.643 -12.670
  509   2HB   ALA  63          3HB       ALA  63  -9.633   4.068 -11.630
  510   3HB   ALA  63          1HB       ALA  63  -8.138   3.511 -12.382
  511    H    ARG  64           H        ARG  64 -11.050   2.740 -14.787
  512    HA   ARG  64           HA       ARG  64 -13.286   4.415 -15.499
  513   1HB   ARG  64          1HB       ARG  64 -12.665   2.028 -16.281
  514   2HB   ARG  64          2HB       ARG  64 -13.465   1.470 -14.811
  515   1HG   ARG  64          1HG       ARG  64 -15.555   2.039 -15.566
  516   2HG   ARG  64          2HG       ARG  64 -14.961   3.434 -16.467
  517   1HD   ARG  64          1HD       ARG  64 -13.839   1.667 -18.029
  518   2HD   ARG  64          2HD       ARG  64 -15.000   0.537 -17.301
  519    HE   ARG  64           HE       ARG  64 -16.796   2.193 -17.987
  520   1HH1  ARG  64          1HH1      ARG  64 -14.004   3.639 -18.957
  521   2HH1  ARG  64          2HH1      ARG  64 -14.401   3.751 -20.639
  522   1HH2  ARG  64          1HH2      ARG  64 -17.190   1.706 -20.390
  523   2HH2  ARG  64          2HH2      ARG  64 -16.205   2.657 -21.450
  524    H    ALA  65           H        ALA  65 -15.402   4.603 -14.440
  525    HA   ALA  65           HA       ALA  65 -15.188   4.621 -11.481
  526   1HB   ALA  65          2HB       ALA  65 -16.186   6.476 -12.898
  527   2HB   ALA  65          3HB       ALA  65 -17.231   5.913 -11.593
  528   3HB   ALA  65          1HB       ALA  65 -17.529   5.390 -13.252
  529    H    THR  66           H        THR  66 -16.998   2.825 -14.004
  530    HA   THR  66           HA       THR  66 -18.954   1.523 -12.440
  531    HB   THR  66           HB       THR  66 -17.380  -0.052 -14.457
  532    HG1  THR  66           HG1      THR  66 -18.175   1.207 -16.092
  533   1HG2  THR  66          1HG2      THR  66 -20.298   0.409 -13.813
  534   2HG2  THR  66          3HG2      THR  66 -19.767  -0.456 -15.256
  535   3HG2  THR  66          2HG2      THR  66 -19.379  -1.089 -13.655
  536    H    THR  67           H        THR  67 -15.459   0.723 -12.665
  537    HA   THR  67           HA       THR  67 -15.905  -1.426 -10.617
  538    HB   THR  67           HB       THR  67 -13.523  -0.952 -12.436
  539    HG1  THR  67           HG1      THR  67 -14.475  -2.400 -13.815
  540   1HG2  THR  67          3HG2      THR  67 -13.332  -2.397 -10.329
  541   2HG2  THR  67          2HG2      THR  67 -14.444  -3.512 -11.122
  542   3HG2  THR  67          1HG2      THR  67 -12.875  -3.165 -11.849
  543    H    LYS  68           H        LYS  68 -15.004  -1.108  -8.566
  544    HA   LYS  68           HA       LYS  68 -13.128   1.215  -8.248
  545   1HB   LYS  68          1HB       LYS  68 -15.285   0.021  -6.485
  546   2HB   LYS  68          2HB       LYS  68 -14.140   1.233  -5.910
  547   1HG   LYS  68          1HG       LYS  68 -15.626   1.783  -8.449
  548   2HG   LYS  68          2HG       LYS  68 -16.490   1.954  -6.921
  549   1HD   LYS  68          1HD       LYS  68 -14.490   3.368  -6.139
  550   2HD   LYS  68          2HD       LYS  68 -14.014   3.421  -7.837
  551   1HE   LYS  68          1HE       LYS  68 -16.543   4.147  -8.196
  552   2HE   LYS  68          2HE       LYS  68 -16.396   4.663  -6.504
  553   1HZ   LYS  68          2HZ       LYS  68 -14.369   5.846  -7.070
  554   2HZ   LYS  68          1HZ       LYS  68 -14.512   5.366  -8.693
  555   3HZ   LYS  68          3HZ       LYS  68 -15.661   6.413  -8.015
  556    H    LYS  69           H        LYS  69 -11.230   0.849  -6.960
  557    HA   LYS  69           HA       LYS  69 -10.755  -2.019  -6.204
  558   1HB   LYS  69          1HB       LYS  69  -9.426  -0.775  -8.057
  559   2HB   LYS  69          2HB       LYS  69  -8.658   0.091  -6.727
  560   1HG   LYS  69          1HG       LYS  69  -7.199  -1.677  -6.835
  561   2HG   LYS  69          2HG       LYS  69  -8.411  -2.422  -5.793
  562   1HD   LYS  69          1HD       LYS  69  -8.364  -4.062  -7.388
  563   2HD   LYS  69          2HD       LYS  69  -9.485  -2.981  -8.216
  564   1HE   LYS  69          1HE       LYS  69  -6.477  -2.835  -8.591
  565   2HE   LYS  69          2HE       LYS  69  -7.552  -3.753  -9.662
  566   1HZ   LYS  69          2HZ       LYS  69  -8.903  -1.698  -9.882
  567   2HZ   LYS  69          1HZ       LYS  69  -7.690  -0.851  -9.046
  568   3HZ   LYS  69          3HZ       LYS  69  -7.346  -1.560 -10.548
  569    H    ILE  70           H        ILE  70 -10.162  -2.446  -4.046
  570    HA   ILE  70           HA       ILE  70  -9.848  -2.033  -1.750
  571    HB   ILE  70           HB       ILE  70  -8.393   0.346  -2.958
  572   1HG1  ILE  70          1HG1      ILE  70  -7.385  -2.399  -2.141
  573   2HG1  ILE  70          2HG1      ILE  70  -7.687  -1.897  -3.804
  574   1HG2  ILE  70          3HG2      ILE  70  -8.163  -0.979  -0.236
  575   2HG2  ILE  70          2HG2      ILE  70  -7.059   0.250  -0.851
  576   3HG2  ILE  70          1HG2      ILE  70  -8.749   0.654  -0.555
  577   1HD1  ILE  70          3HD1      ILE  70  -5.976  -0.061  -2.235
  578   2HD1  ILE  70          2HD1      ILE  70  -5.273  -1.646  -2.559
  579   3HD1  ILE  70          1HD1      ILE  70  -5.798  -0.623  -3.898
  580    H    GLU  71           H        GLU  71 -11.968  -1.565  -0.968
  581    HA   GLU  71           HA       GLU  71 -12.851   1.300  -1.116
  582   1HB   GLU  71          1HB       GLU  71 -14.240  -1.364  -0.766
  583   2HB   GLU  71          2HB       GLU  71 -15.061   0.149  -0.380
  584   1HG   GLU  71          1HG       GLU  71 -13.679  -0.186  -3.032
  585   2HG   GLU  71          2HG       GLU  71 -15.304  -0.828  -2.790
  586    H    ASP  72           H        ASP  72 -13.117   2.459   0.854
  587    HA   ASP  72           HA       ASP  72 -12.834   2.923   3.151
  588   1HB   ASP  72          1HB       ASP  72 -14.684   0.938   2.822
  589   2HB   ASP  72          2HB       ASP  72 -13.535   0.138   3.893
  590    H    LEU  73           H        LEU  73 -11.906   1.306   5.296
  591    HA   LEU  73           HA       LEU  73  -9.178   0.540   4.305
  592   1HB   LEU  73          1HB       LEU  73  -9.344   2.586   5.697
  593   2HB   LEU  73          2HB       LEU  73 -10.097   1.639   6.982
  594    HG   LEU  73           HG       LEU  73  -8.055   0.215   7.088
  595   1HD1  LEU  73          2HD1      LEU  73  -7.333   1.950   4.780
  596   2HD1  LEU  73          1HD1      LEU  73  -6.039   1.562   5.913
  597   3HD1  LEU  73          3HD1      LEU  73  -6.913   0.267   5.096
  598   1HD2  LEU  73          1HD2      LEU  73  -7.876   3.197   7.480
  599   2HD2  LEU  73          3HD2      LEU  73  -8.072   1.936   8.696
  600   3HD2  LEU  73          2HD2      LEU  73  -6.518   2.153   7.892
  601    H    THR  74           H        THR  74 -10.427  -1.666   3.988
  602    HA   THR  74           HA       THR  74  -9.692  -3.437   6.180
  603    HB   THR  74           HB       THR  74 -12.527  -3.872   5.924
  604    HG1  THR  74           HG1      THR  74 -13.348  -1.933   6.448
  605   1HG2  THR  74          2HG2      THR  74 -10.638  -4.062   7.867
  606   2HG2  THR  74          1HG2      THR  74 -11.461  -2.586   8.368
  607   3HG2  THR  74          3HG2      THR  74 -12.372  -4.085   8.189
  608    H    GLU  75           H        GLU  75 -11.373  -5.658   5.574
  609    HA   GLU  75           HA       GLU  75 -11.522  -7.415   4.003
  610   1HB   GLU  75          1HB       GLU  75 -13.040  -5.535   3.101
  611   2HB   GLU  75          2HB       GLU  75 -11.732  -5.181   1.971
  612   1HG   GLU  75          1HG       GLU  75 -11.800  -7.593   1.250
  613   2HG   GLU  75          2HG       GLU  75 -13.240  -7.794   2.249
  614    H    LEU  76           H        LEU  76  -8.816  -6.453   4.651
  615    HA   LEU  76           HA       LEU  76  -7.423  -7.352   2.174
  616   1HB   LEU  76          1HB       LEU  76  -7.591  -4.657   3.163
  617   2HB   LEU  76          2HB       LEU  76  -5.934  -5.214   3.383
  618    HG   LEU  76           HG       LEU  76  -6.393  -6.143   0.883
  619   1HD1  LEU  76          3HD1      LEU  76  -8.338  -3.942   1.403
  620   2HD1  LEU  76          2HD1      LEU  76  -7.491  -3.922  -0.145
  621   3HD1  LEU  76          1HD1      LEU  76  -8.466  -5.320   0.309
  622   1HD2  LEU  76          1HD2      LEU  76  -5.451  -3.425   1.816
  623   2HD2  LEU  76          3HD2      LEU  76  -4.472  -4.818   1.361
  624   3HD2  LEU  76          2HD2      LEU  76  -5.350  -3.916   0.125
  625    H    GLU  77           H        GLU  77  -5.325  -8.340   2.666
  626    HA   GLU  77           HA       GLU  77  -5.093  -9.193   5.517
  627   1HB   GLU  77          1HB       GLU  77  -5.072 -10.861   3.673
  628   2HB   GLU  77          2HB       GLU  77  -3.639 -10.084   3.001
  629   1HG   GLU  77          1HG       GLU  77  -2.257 -10.847   4.695
  630   2HG   GLU  77          2HG       GLU  77  -3.572 -10.934   5.869
  631    H    GLY  78           H        GLY  78  -4.077  -7.386   6.582
  632   1HA   GLY  78          2HA       GLY  78  -1.630  -6.264   5.363
  633   2HA   GLY  78          1HA       GLY  78  -1.414  -7.137   6.874
  634    H    TRP  79           H        TRP  79  -4.231  -5.058   6.060
  635    HA   TRP  79           HA       TRP  79  -3.334  -2.669   7.325
  636   1HB   TRP  79          1HB       TRP  79  -5.684  -2.048   7.418
  637   2HB   TRP  79          2HB       TRP  79  -5.403  -2.941   5.929
  638    HD1  TRP  79           HD1      TRP  79  -6.647  -5.200   5.605
  639    HE1  TRP  79           HE1      TRP  79  -8.450  -6.452   6.955
  640    HE3  TRP  79           HE3      TRP  79  -6.529  -2.509   9.942
  641    HZ2  TRP  79           HZ2      TRP  79  -9.689  -6.321   9.524
  642    HZ3  TRP  79           HZ3      TRP  79  -8.038  -3.089  11.820
  643    HH2  TRP  79           HH2      TRP  79  -9.619  -4.990  11.614
  644    H    GLU  80           H        GLU  80  -4.728  -5.609   8.820
  645    HA   GLU  80           HA       GLU  80  -5.122  -4.500  11.458
  646   1HB   GLU  80          1HB       GLU  80  -5.857  -6.781  10.427
  647   2HB   GLU  80          2HB       GLU  80  -4.259  -7.348  10.915
  648   1HG   GLU  80          1HG       GLU  80  -5.933  -5.879  12.920
  649   2HG   GLU  80          2HG       GLU  80  -6.319  -7.563  12.568
  650    H    GLU  81           H        GLU  81  -2.285  -6.143   9.960
  651    HA   GLU  81           HA       GLU  81  -0.590  -6.104  12.284
  652   1HB   GLU  81          1HB       GLU  81  -0.078  -6.065   9.299
  653   2HB   GLU  81          2HB       GLU  81   1.252  -6.092  10.457
  654   1HG   GLU  81          1HG       GLU  81   0.661  -8.209  11.280
  655   2HG   GLU  81          2HG       GLU  81  -0.993  -8.084  10.682
  656    H    LEU  82           H        LEU  82  -1.128  -3.642   9.729
  657    HA   LEU  82           HA       LEU  82   0.863  -1.746  10.336
  658   1HB   LEU  82          1HB       LEU  82  -1.832  -1.746   9.144
  659   2HB   LEU  82          2HB       LEU  82  -1.415  -0.203   9.880
  660    HG   LEU  82           HG       LEU  82   0.643  -0.095   8.568
  661   1HD1  LEU  82          2HD1      LEU  82   0.348  -2.877   8.347
  662   2HD1  LEU  82          1HD1      LEU  82   0.084  -2.272   6.713
  663   3HD1  LEU  82          3HD1      LEU  82   1.578  -1.887   7.566
  664   1HD2  LEU  82          2HD2      LEU  82  -2.026  -0.380   7.318
  665   2HD2  LEU  82          1HD2      LEU  82  -0.894   0.971   7.261
  666   3HD2  LEU  82          3HD2      LEU  82  -0.662  -0.422   6.203
  667    H    GLU  83           H        GLU  83   0.393   0.486  11.520
  668    HA   GLU  83           HA       GLU  83  -0.594  -0.187  14.265
  669   1HB   GLU  83          1HB       GLU  83   1.743   0.696  13.814
  670   2HB   GLU  83          2HB       GLU  83   0.998   2.213  13.310
  671   1HG   GLU  83          1HG       GLU  83   0.075   2.593  15.484
  672   2HG   GLU  83          2HG       GLU  83   0.452   0.950  16.004
  673    H    ASP  84           H        ASP  84  -1.904   1.504  15.418
  674    HA   ASP  84           HA       ASP  84  -4.194   2.351  13.965
  675   1HB   ASP  84          1HB       ASP  84  -4.658   3.761  15.966
  676   2HB   ASP  84          2HB       ASP  84  -4.116   2.145  16.416
  677    H    ASN  85           H        ASN  85  -1.165   4.150  14.590
  678    HA   ASN  85           HA       ASN  85  -2.163   6.670  13.521
  679   1HB   ASN  85          1HB       ASN  85  -0.081   6.146  15.024
  680   2HB   ASN  85          2HB       ASN  85   0.736   5.829  13.492
  681   1HD2  ASN  85          2HD2      ASN  85   1.412   7.664  12.245
  682   2HD2  ASN  85          1HD2      ASN  85   1.048   9.264  12.682
  683    H    GLU  86           H        GLU  86  -0.270   3.974  12.114
  684    HA   GLU  86           HA       GLU  86  -0.098   5.199   9.468
  685   1HB   GLU  86          1HB       GLU  86   0.118   2.297  10.357
  686   2HB   GLU  86          2HB       GLU  86   0.631   2.918   8.787
  687   1HG   GLU  86          1HG       GLU  86   2.454   4.047   9.672
  688   2HG   GLU  86          2HG       GLU  86   1.706   4.224  11.259
  689    H    LYS  87           H        LYS  87  -2.331   2.877  11.028
  690    HA   LYS  87           HA       LYS  87  -3.912   2.270   8.705
  691   1HB   LYS  87          1HB       LYS  87  -3.955   1.080  10.929
  692   2HB   LYS  87          2HB       LYS  87  -4.814   2.465  11.601
  693   1HG   LYS  87          1HG       LYS  87  -6.672   2.127  10.088
  694   2HG   LYS  87          2HG       LYS  87  -5.793   0.865   9.222
  695   1HD   LYS  87          1HD       LYS  87  -6.038  -0.679  10.945
  696   2HD   LYS  87          2HD       LYS  87  -6.230   0.571  12.176
  697   1HE   LYS  87          1HE       LYS  87  -8.412   1.121  10.689
  698   2HE   LYS  87          2HE       LYS  87  -8.272  -0.618  10.360
  699   1HZ   LYS  87          2HZ       LYS  87  -8.156   0.606  13.066
  700   2HZ   LYS  87          1HZ       LYS  87  -9.530  -0.148  12.411
  701   3HZ   LYS  87          3HZ       LYS  87  -8.127  -1.054  12.705
  702    H    GLU  88           H        GLU  88  -4.105   4.962  11.064
  703    HA   GLU  88           HA       GLU  88  -6.607   6.048  10.085
  704   1HB   GLU  88          1HB       GLU  88  -4.231   7.206  11.568
  705   2HB   GLU  88          2HB       GLU  88  -5.647   8.182  11.176
  706   1HG   GLU  88          1HG       GLU  88  -7.085   6.808  12.487
  707   2HG   GLU  88          2HG       GLU  88  -5.870   5.537  12.620
  708    H    GLN  89           H        GLN  89  -3.185   6.666   9.177
  709    HA   GLN  89           HA       GLN  89  -3.713   8.822   7.343
  710   1HB   GLN  89          1HB       GLN  89  -1.482   7.825   8.334
  711   2HB   GLN  89          2HB       GLN  89  -1.517   6.814   6.888
  712   1HG   GLN  89          1HG       GLN  89  -1.996   9.147   5.698
  713   2HG   GLN  89          2HG       GLN  89  -1.168   9.776   7.123
  714   1HE2  GLN  89          1HE2      GLN  89  -0.720   7.193   4.600
  715   2HE2  GLN  89          2HE2      GLN  89   0.968   7.367   4.542
  716    H    ILE  90           H        ILE  90  -3.796   5.275   6.885
  717    HA   ILE  90           HA       ILE  90  -4.064   5.386   3.991
  718    HB   ILE  90           HB       ILE  90  -4.923   3.274   6.011
  719   1HG1  ILE  90          1HG1      ILE  90  -2.454   3.394   4.251
  720   2HG1  ILE  90          2HG1      ILE  90  -2.466   3.898   5.939
  721   1HG2  ILE  90          2HG2      ILE  90  -6.031   3.091   3.760
  722   2HG2  ILE  90          1HG2      ILE  90  -4.429   2.993   3.030
  723   3HG2  ILE  90          3HG2      ILE  90  -4.974   1.729   4.133
  724   1HD1  ILE  90          1HD1      ILE  90  -3.595   1.211   5.321
  725   2HD1  ILE  90          3HD1      ILE  90  -1.844   1.393   5.209
  726   3HD1  ILE  90          2HD1      ILE  90  -2.673   1.747   6.725
  727    H    THR  91           H        THR  91  -6.445   5.436   6.683
  728    HA   THR  91           HA       THR  91  -8.807   5.179   5.058
  729    HB   THR  91           HB       THR  91  -8.982   7.006   7.379
  730    HG1  THR  91           HG1      THR  91  -8.309   5.497   8.855
  731   1HG2  THR  91          3HG2      THR  91 -10.267   4.450   6.437
  732   2HG2  THR  91          2HG2      THR  91 -10.550   5.051   8.070
  733   3HG2  THR  91          1HG2      THR  91 -11.006   6.033   6.678
  734    H    GLN  92           H        GLN  92  -6.852   8.043   5.957
  735    HA   GLN  92           HA       GLN  92  -8.557  10.076   4.888
  736   1HB   GLN  92          1HB       GLN  92  -6.222  10.113   6.173
  737   2HB   GLN  92          2HB       GLN  92  -5.577  10.234   4.537
  738   1HG   GLN  92          1HG       GLN  92  -6.910  12.220   4.100
  739   2HG   GLN  92          2HG       GLN  92  -7.720  12.061   5.659
  740   1HE2  GLN  92          1HE2      GLN  92  -6.593  12.837   7.563
  741   2HE2  GLN  92          2HE2      GLN  92  -5.075  13.591   7.471
  742    H    HIS  93           H        HIS  93  -6.161   7.968   3.237
  743    HA   HIS  93           HA       HIS  93  -6.122   9.213   0.677
  744   1HB   HIS  93          1HB       HIS  93  -5.695   6.474   1.768
  745   2HB   HIS  93          2HB       HIS  93  -6.005   6.567   0.038
  746    HD1  HIS  93           HD1      HIS  93  -4.177   7.526  -1.443
  747    HD2  HIS  93           HD2      HIS  93  -3.294   7.838   2.617
  748    HE1  HIS  93           HE1      HIS  93  -1.727   8.137  -1.288
  749    H    ILE  94           H        ILE  94  -8.401   6.685   1.886
  750    HA   ILE  94           HA       ILE  94  -9.993   6.639  -0.537
  751    HB   ILE  94           HB       ILE  94 -10.585   5.861   2.346
  752   1HG1  ILE  94          1HG1      ILE  94 -10.513   3.580   0.773
  753   2HG1  ILE  94          2HG1      ILE  94  -9.272   4.587   0.031
  754   1HG2  ILE  94          2HG2      ILE  94 -12.696   6.329   1.131
  755   2HG2  ILE  94          1HG2      ILE  94 -12.191   5.235  -0.156
  756   3HG2  ILE  94          3HG2      ILE  94 -12.514   4.605   1.460
  757   1HD1  ILE  94          3HD1      ILE  94  -9.305   4.397   3.014
  758   2HD1  ILE  94          2HD1      ILE  94  -8.723   3.002   2.106
  759   3HD1  ILE  94          1HD1      ILE  94  -7.936   4.568   1.912
  760    H    ALA  95           H        ALA  95 -10.228   8.542   2.489
  761    HA   ALA  95           HA       ALA  95 -12.733   9.838   1.781
  762   1HB   ALA  95          1HB       ALA  95 -10.564  11.003   3.542
  763   2HB   ALA  95          3HB       ALA  95 -12.310  11.200   3.697
  764   3HB   ALA  95          2HB       ALA  95 -11.559   9.650   4.082
  765    H    ASP  96           H        ASP  96  -9.287  10.694   1.283
  766    HA   ASP  96           HA       ASP  96  -9.789  13.320   0.163
  767   1HB   ASP  96          1HB       ASP  96  -7.583  12.193   0.997
  768   2HB   ASP  96          2HB       ASP  96  -7.485  11.535  -0.636
  769    H    LEU  97           H        LEU  97  -9.618  10.049  -1.306
  770    HA   LEU  97           HA       LEU  97  -9.936  11.125  -4.037
  771   1HB   LEU  97          1HB       LEU  97  -8.667   9.025  -3.410
  772   2HB   LEU  97          2HB       LEU  97 -10.217   8.272  -3.035
  773    HG   LEU  97           HG       LEU  97 -10.967   8.804  -5.374
  774   1HD1  LEU  97          2HD1      LEU  97  -8.173   9.887  -5.445
  775   2HD1  LEU  97          1HD1      LEU  97  -8.834   9.156  -6.908
  776   3HD1  LEU  97          3HD1      LEU  97  -9.642  10.539  -6.170
  777   1HD2  LEU  97          3HD2      LEU  97  -9.618   6.661  -4.482
  778   2HD2  LEU  97          2HD2      LEU  97 -10.089   6.826  -6.173
  779   3HD2  LEU  97          1HD2      LEU  97  -8.448   7.230  -5.671
  780    H    SER  98           H        SER  98 -12.078   9.762  -1.512
  781    HA   SER  98           HA       SER  98 -14.372   9.856  -3.429
  782   1HB   SER  98          1HB       SER  98 -13.996   7.807  -2.097
  783   2HB   SER  98          2HB       SER  98 -14.083   8.749  -0.612
  784    HG   SER  98           HG       SER  98 -16.088   7.804  -1.072
  785    H    SER  99           H        SER  99 -13.630  12.440  -2.931
  786    HA   SER  99           HA       SER  99 -15.695  13.374  -0.972
  787   1HB   SER  99          1HB       SER  99 -14.012  15.141  -0.337
  788   2HB   SER  99          2HB       SER  99 -13.517  13.507   0.094
  789    HG   SER  99           HG       SER  99 -12.078  13.505  -1.530
  790    H    LYS 100           H        LYS 100 -16.916  13.609  -3.144
  791    HA   LYS 100           HA       LYS 100 -16.310  16.291  -4.303
  792   1HB   LYS 100          1HB       LYS 100 -15.236  14.531  -5.688
  793   2HB   LYS 100          2HB       LYS 100 -16.798  13.737  -5.875
  794   1HG   LYS 100          1HG       LYS 100 -17.692  15.559  -7.123
  795   2HG   LYS 100          2HG       LYS 100 -16.360  16.621  -6.666
  796   1HD   LYS 100          1HD       LYS 100 -14.801  15.387  -8.012
  797   2HD   LYS 100          2HD       LYS 100 -15.968  14.094  -8.285
  798   1HE   LYS 100          1HE       LYS 100 -17.429  16.105  -9.272
  799   2HE   LYS 100          2HE       LYS 100 -15.820  16.802  -9.547
  800   1HZ   LYS 100          3HZ       LYS 100 -16.527  14.012 -10.266
  801   2HZ   LYS 100          2HZ       LYS 100 -16.638  15.304 -11.363
  802   3HZ   LYS 100          1HZ       LYS 100 -15.132  14.870 -10.706
  803    H    ALA 101           H        ALA 101 -18.626  13.529  -4.741
  804    HA   ALA 101           HA       ALA 101 -20.859  15.399  -4.095
  805   1HB   ALA 101          1HB       ALA 101 -21.938  14.273  -6.232
  806   2HB   ALA 101          2HB       ALA 101 -20.256  14.003  -6.686
  807   3HB   ALA 101          3HB       ALA 101 -20.845  15.644  -6.419
  808    H    ALA 102           H        ALA 102 -19.784  13.158  -2.545
  809    HA   ALA 102           HA       ALA 102 -22.188  11.381  -2.583
  810   1HB   ALA 102          2HB       ALA 102 -20.179  10.441  -3.836
  811   2HB   ALA 102          1HB       ALA 102 -19.328  10.420  -2.291
  812   3HB   ALA 102          3HB       ALA 102 -20.772   9.432  -2.517
  813    H    GLY 103           H        GLY 103 -21.523   9.717  -0.453
  814   1HA   GLY 103          2HA       GLY 103 -20.919  11.629   1.771
  815   2HA   GLY 103          1HA       GLY 103 -20.530   9.910   1.832
  816    H    THR 104           H        THR 104 -22.259   8.392   2.235
  817    HA   THR 104           HA       THR 104 -24.381   7.674   2.967
  818    HB   THR 104           HB       THR 104 -25.158   9.020   4.898
  819    HG1  THR 104           HG1      THR 104 -24.874  11.080   4.250
  820   1HG2  THR 104          3HG2      THR 104 -22.338   8.223   4.472
  821   2HG2  THR 104          2HG2      THR 104 -22.629   9.281   5.852
  822   3HG2  THR 104          1HG2      THR 104 -23.472   7.737   5.733
  823    HA   PRO 105           HA       PRO 105 -26.792  10.275   0.046
  824   1HB   PRO 105          1HB       PRO 105 -28.103   8.196  -1.156
  825   2HB   PRO 105          2HB       PRO 105 -26.490   8.739  -1.659
  826   1HG   PRO 105          1HG       PRO 105 -27.262   6.413   0.024
  827   2HG   PRO 105          2HG       PRO 105 -25.985   6.553  -1.193
  828   1HD   PRO 105          1HD       PRO 105 -25.535   6.660   1.501
  829   2HD   PRO 105          2HD       PRO 105 -24.488   7.434   0.292
  830    H    LYS 106           H        LYS 106 -27.939   7.416   1.922
  831    HA   LYS 106           HA       LYS 106 -30.366   9.018   2.662
  832   1HB   LYS 106          1HB       LYS 106 -30.038   6.249   1.551
  833   2HB   LYS 106          2HB       LYS 106 -31.384   6.568   2.647
  834   1HG   LYS 106          1HG       LYS 106 -32.239   8.305   1.215
  835   2HG   LYS 106          2HG       LYS 106 -30.793   8.261   0.206
  836   1HD   LYS 106          1HD       LYS 106 -31.389   5.791  -0.231
  837   2HD   LYS 106          2HD       LYS 106 -32.974   6.186   0.435
  838   1HE   LYS 106          1HE       LYS 106 -33.383   7.827  -1.279
  839   2HE   LYS 106          2HE       LYS 106 -31.702   7.737  -1.845
  840   1HZ   LYS 106          2HZ       LYS 106 -33.597   5.447  -1.793
  841   2HZ   LYS 106          1HZ       LYS 106 -33.219   6.350  -3.182
  842   3HZ   LYS 106          3HZ       LYS 106 -32.014   5.435  -2.413
  843    H    LYS 107           H        LYS 107 -31.492   7.665   4.633
  844    HA   LYS 107           HA       LYS 107 -29.374   6.595   6.449
  845   1HB   LYS 107          1HB       LYS 107 -29.961   9.164   6.585
  846   2HB   LYS 107          2HB       LYS 107 -31.403   8.590   7.423
  847   1HG   LYS 107          1HG       LYS 107 -30.195   7.750   9.220
  848   2HG   LYS 107          2HG       LYS 107 -28.733   7.518   8.259
  849   1HD   LYS 107          1HD       LYS 107 -28.345   9.923   8.186
  850   2HD   LYS 107          2HD       LYS 107 -29.866  10.223   9.027
  851   1HE   LYS 107          1HE       LYS 107 -27.778   8.446  10.287
  852   2HE   LYS 107          2HE       LYS 107 -27.672  10.212  10.443
  853   1HZ   LYS 107          1HZ       LYS 107 -30.096   8.601  11.048
  854   2HZ   LYS 107          3HZ       LYS 107 -29.021   9.194  12.218
  855   3HZ   LYS 107          2HZ       LYS 107 -29.918  10.276  11.264
  856    H    LYS 108           H        LYS 108 -30.502   5.627   8.505
  857    HA   LYS 108           HA       LYS 108 -33.292   4.726   7.929
  858   1HB   LYS 108          1HB       LYS 108 -31.501   3.142   7.050
  859   2HB   LYS 108          2HB       LYS 108 -31.021   2.886   8.728
  860   1HG   LYS 108          1HG       LYS 108 -32.541   1.145   8.426
  861   2HG   LYS 108          2HG       LYS 108 -33.589   2.404   9.080
  862   1HD   LYS 108          1HD       LYS 108 -34.392   2.991   6.894
  863   2HD   LYS 108          2HD       LYS 108 -33.169   1.990   6.111
  864   1HE   LYS 108          1HE       LYS 108 -34.316   0.078   7.600
  865   2HE   LYS 108          2HE       LYS 108 -35.710   1.166   7.448
  866   1HZ   LYS 108          3HZ       LYS 108 -35.184   1.297   5.030
  867   2HZ   LYS 108          2HZ       LYS 108 -34.052   0.049   5.252
  868   3HZ   LYS 108          1HZ       LYS 108 -35.702  -0.235   5.540
  869    H    ALA 109           H        ALA 109 -33.797   6.219   9.785
  870    HA   ALA 109           HA       ALA 109 -32.906   5.107  12.429
  871   1HB   ALA 109          2HB       ALA 109 -32.276   7.492  11.586
  872   2HB   ALA 109          3HB       ALA 109 -32.912   7.333  13.224
  873   3HB   ALA 109          1HB       ALA 109 -33.962   7.888  11.920
  874    H    VAL 110           H        VAL 110 -34.565   4.667  13.982
  875    HA   VAL 110           HA       VAL 110 -37.380   5.196  13.088
  876    HB   VAL 110           HB       VAL 110 -36.692   2.866  12.650
  877   1HG1  VAL 110          2HG1      VAL 110 -35.969   2.925  15.588
  878   2HG1  VAL 110          1HG1      VAL 110 -36.205   1.423  14.695
  879   3HG1  VAL 110          3HG1      VAL 110 -34.920   2.537  14.225
  880   1HG2  VAL 110          1HG2      VAL 110 -39.010   3.535  13.614
  881   2HG2  VAL 110          3HG2      VAL 110 -38.565   1.830  13.638
  882   3HG2  VAL 110          2HG2      VAL 110 -38.437   2.796  15.108
  883    H    VAL 111           H        VAL 111 -38.850   5.725  14.817
  884    HA   VAL 111           HA       VAL 111 -37.698   5.785  17.575
  885    HB   VAL 111           HB       VAL 111 -37.342   7.966  16.495
  886   1HG1  VAL 111          2HG1      VAL 111 -40.001   7.445  15.453
  887   2HG1  VAL 111          1HG1      VAL 111 -39.941   9.021  16.237
  888   3HG1  VAL 111          3HG1      VAL 111 -38.817   8.641  14.934
  889   1HG2  VAL 111          3HG2      VAL 111 -38.449   7.554  18.951
  890   2HG2  VAL 111          2HG2      VAL 111 -37.967   9.140  18.352
  891   3HG2  VAL 111          1HG2      VAL 111 -39.650   8.627  18.233
  892    H    GLN 112           H        GLN 112 -39.285   5.449  19.229
  893    HA   GLN 112           HA       GLN 112 -42.060   4.881  18.232
  894   1HB   GLN 112          1HB       GLN 112 -40.310   3.623  20.360
  895   2HB   GLN 112          2HB       GLN 112 -42.031   3.267  20.211
  896   1HG   GLN 112          1HG       GLN 112 -41.454   2.790  17.704
  897   2HG   GLN 112          2HG       GLN 112 -39.801   2.632  18.295
  898   1HE2  GLN 112          1HE2      GLN 112 -41.561   0.422  17.250
  899   2HE2  GLN 112          2HE2      GLN 112 -41.695  -0.686  18.528
  900    H    ALA 113           H        ALA 113 -43.217   6.765  18.838
  901    HA   ALA 113           HA       ALA 113 -42.884   7.686  21.678
  902   1HB   ALA 113          3HB       ALA 113 -43.369   9.882  20.858
  903   2HB   ALA 113          2HB       ALA 113 -42.242   9.186  19.695
  904   3HB   ALA 113          1HB       ALA 113 -43.964   9.252  19.322
  905    H    LYS 114           H        LYS 114 -44.803   7.842  22.943
  906    HA   LYS 114           HA       LYS 114 -47.325   6.927  21.595
  907   1HB   LYS 114          1HB       LYS 114 -46.209   5.429  23.294
  908   2HB   LYS 114          2HB       LYS 114 -46.485   6.687  24.500
  909   1HG   LYS 114          1HG       LYS 114 -48.826   6.451  24.392
  910   2HG   LYS 114          2HG       LYS 114 -48.761   5.629  22.832
  911   1HD   LYS 114          1HD       LYS 114 -47.590   3.715  23.957
  912   2HD   LYS 114          2HD       LYS 114 -47.856   4.520  25.504
  913   1HE   LYS 114          1HE       LYS 114 -50.289   4.437  25.164
  914   2HE   LYS 114          2HE       LYS 114 -50.053   3.685  23.573
  915   1HZ   LYS 114          1HZ       LYS 114 -48.933   2.576  26.087
  916   2HZ   LYS 114          3HZ       LYS 114 -50.417   2.075  25.435
  917   3HZ   LYS 114          2HZ       LYS 114 -48.980   1.832  24.561
  918    H    LEU 115           H        LEU 115 -48.360   8.947  21.164
  919    HA   LEU 115           HA       LEU 115 -48.704  10.774  23.522
  920   1HB   LEU 115          1HB       LEU 115 -47.448  11.365  21.252
  921   2HB   LEU 115          2HB       LEU 115 -49.095  11.621  20.672
  922    HG   LEU 115           HG       LEU 115 -49.394  13.030  22.842
  923   1HD1  LEU 115          1HD1      LEU 115 -47.060  12.163  23.621
  924   2HD1  LEU 115          3HD1      LEU 115 -46.420  13.400  22.540
  925   3HD1  LEU 115          2HD1      LEU 115 -47.461  13.859  23.888
  926   1HD2  LEU 115          1HD2      LEU 115 -47.968  13.724  20.307
  927   2HD2  LEU 115          3HD2      LEU 115 -49.513  14.313  20.921
  928   3HD2  LEU 115          2HD2      LEU 115 -48.004  14.940  21.585
  929    H    THR 116           H        THR 116 -50.877  11.615  23.875
  930    HA   THR 116           HA       THR 116 -53.026  10.376  22.192
  931    HB   THR 116           HB       THR 116 -54.196  10.161  24.518
  932    HG1  THR 116           HG1      THR 116 -52.858  10.160  26.231
  933   1HG2  THR 116          3HG2      THR 116 -52.061   8.478  23.302
  934   2HG2  THR 116          2HG2      THR 116 -52.597   8.047  24.926
  935   3HG2  THR 116          1HG2      THR 116 -53.757   8.101  23.600
  936    H    THR 117           H        THR 117 -53.954  12.226  21.245
  937    HA   THR 117           HA       THR 117 -54.674  14.468  23.108
  938    HB   THR 117           HB       THR 117 -53.751  14.605  20.218
  939    HG1  THR 117           HG1      THR 117 -51.994  14.169  21.432
  940   1HG2  THR 117          3HG2      THR 117 -54.770  16.601  22.195
  941   2HG2  THR 117          2HG2      THR 117 -53.486  17.102  21.095
  942   3HG2  THR 117          1HG2      THR 117 -55.022  16.521  20.451

  No H/Q in entry =         942
  Start of MODEL   14
    1    H1   MET   1           H        MET   1 -10.310 -20.728 -10.291
    2    H2   MET   1           HN2      MET   1  -9.310 -19.479 -10.863
    3    HA   MET   1           HA       MET   1 -11.980 -19.145  -9.588
    4   1HB   MET   1          1HB       MET   1  -9.136 -19.160  -8.752
    5   2HB   MET   1          2HB       MET   1 -10.093 -17.819  -8.121
    6   1HG   MET   1          1HG       MET   1 -10.546 -19.404  -6.500
    7   2HG   MET   1          2HG       MET   1 -11.844 -19.769  -7.635
    8   1HE   MET   1          1HE       MET   1 -12.474 -21.648  -7.353
    9   2HE   MET   1          3HE       MET   1 -11.769 -23.137  -7.995
   10   3HE   MET   1          2HE       MET   1 -11.558 -22.719  -6.297
   11    H    ALA   2           H        ALA   2 -12.652 -16.872  -9.443
   12    HA   ALA   2           HA       ALA   2 -11.157 -15.030 -11.285
   13   1HB   ALA   2          3HB       ALA   2 -13.302 -16.081 -12.158
   14   2HB   ALA   2          1HB       ALA   2 -13.298 -14.318 -12.143
   15   3HB   ALA   2          2HB       ALA   2 -14.157 -15.209 -10.887
   16    H    GLU   3           H        GLU   3 -10.594 -14.962  -8.522
   17    HA   GLU   3           HA       GLU   3 -12.126 -12.549  -7.598
   18   1HB   GLU   3          1HB       GLU   3 -12.062 -15.018  -6.459
   19   2HB   GLU   3          2HB       GLU   3 -10.678 -14.271  -5.658
   20   1HG   GLU   3          1HG       GLU   3 -12.308 -13.525  -4.226
   21   2HG   GLU   3          2HG       GLU   3 -12.444 -12.247  -5.436
   22    H    GLN   4           H        GLN   4 -10.777 -11.013  -6.253
   23    HA   GLN   4           HA       GLN   4  -7.886 -11.112  -7.059
   24   1HB   GLN   4          1HB       GLN   4  -9.827  -8.824  -6.603
   25   2HB   GLN   4          2HB       GLN   4  -8.103  -8.598  -6.901
   26   1HG   GLN   4          1HG       GLN   4  -8.881  -8.445  -9.070
   27   2HG   GLN   4          2HG       GLN   4  -8.629 -10.188  -8.978
   28   1HE2  GLN   4          1HE2      GLN   4 -11.279  -7.891  -7.978
   29   2HE2  GLN   4          2HE2      GLN   4 -12.522  -8.856  -8.616
   30    H    ARG   5           H        ARG   5  -6.348 -10.867  -5.377
   31    HA   ARG   5           HA       ARG   5  -7.465 -10.468  -2.618
   32   1HB   ARG   5          1HB       ARG   5  -5.654 -12.415  -3.884
   33   2HB   ARG   5          2HB       ARG   5  -5.019 -11.750  -2.379
   34   1HG   ARG   5          1HG       ARG   5  -7.883 -12.581  -2.396
   35   2HG   ARG   5          2HG       ARG   5  -6.671 -13.862  -2.405
   36   1HD   ARG   5          1HD       ARG   5  -5.793 -13.225  -0.321
   37   2HD   ARG   5          2HD       ARG   5  -6.435 -11.574  -0.450
   38    HE   ARG   5           HE       ARG   5  -8.661 -12.449   0.013
   39   1HH1  ARG   5          1HH1      ARG   5  -6.291 -13.998   1.632
   40   2HH1  ARG   5          2HH1      ARG   5  -7.109 -15.512   1.830
   41   1HH2  ARG   5          1HH2      ARG   5  -9.654 -14.732  -0.393
   42   2HH2  ARG   5          2HH2      ARG   5  -9.013 -15.928   0.684
   43    H    PHE   6           H        PHE   6  -6.717  -8.605  -1.600
   44    HA   PHE   6           HA       PHE   6  -4.192  -7.366  -2.656
   45   1HB   PHE   6          1HB       PHE   6  -6.891  -6.401  -1.982
   46   2HB   PHE   6          2HB       PHE   6  -5.608  -5.422  -1.275
   47    HD1  PHE   6           HD1      PHE   6  -7.416  -6.246  -4.277
   48    HD2  PHE   6           HD2      PHE   6  -3.747  -4.551  -2.812
   49    HE1  PHE   6           HE1      PHE   6  -7.037  -5.163  -6.473
   50    HE2  PHE   6           HE2      PHE   6  -3.370  -3.473  -5.009
   51    HZ   PHE   6           HZ       PHE   6  -5.013  -3.778  -6.842
   52    H    CYS   7           H        CYS   7  -2.608  -6.738  -1.098
   53    HA   CYS   7           HA       CYS   7  -3.291  -7.127   1.787
   54   1HB   CYS   7          1HB       CYS   7  -1.209  -8.470   2.035
   55   2HB   CYS   7          2HB       CYS   7  -2.350  -9.236   0.935
   56    HG   CYS   7           HG       CYS   7   0.374  -8.023   0.138
   57    H    VAL   8           H        VAL   8  -2.252  -5.565   3.116
   58    HA   VAL   8           HA       VAL   8  -0.445  -3.672   1.669
   59    HB   VAL   8           HB       VAL   8  -1.110  -2.053   3.386
   60   1HG1  VAL   8          1HG1      VAL   8  -3.080  -3.516   1.737
   61   2HG1  VAL   8          3HG1      VAL   8  -3.770  -2.503   3.004
   62   3HG1  VAL   8          2HG1      VAL   8  -2.705  -1.796   1.791
   63   1HG2  VAL   8          1HG2      VAL   8  -1.345  -3.858   5.205
   64   2HG2  VAL   8          3HG2      VAL   8  -2.542  -2.566   5.209
   65   3HG2  VAL   8          2HG2      VAL   8  -2.956  -4.146   4.550
   66    H    ASP   9           H        ASP   9   1.661  -3.264   2.441
   67    HA   ASP   9           HA       ASP   9   2.479  -4.579   4.997
   68   1HB   ASP   9          1HB       ASP   9   3.268  -5.191   2.192
   69   2HB   ASP   9          2HB       ASP   9   4.567  -5.184   3.386
   70    H    TYR  10           H        TYR  10   4.483  -3.667   5.872
   71    HA   TYR  10           HA       TYR  10   5.059  -0.917   4.808
   72   1HB   TYR  10          1HB       TYR  10   4.570  -2.090   7.407
   73   2HB   TYR  10          2HB       TYR  10   6.167  -1.347   7.396
   74    HD1  TYR  10           HD1      TYR  10   6.163   1.013   6.009
   75    HD2  TYR  10           HD2      TYR  10   2.825  -0.716   8.095
   76    HE1  TYR  10           HE1      TYR  10   5.126   3.256   6.204
   77    HE2  TYR  10           HE2      TYR  10   1.793   1.532   8.290
   78    HH   TYR  10           HH       TYR  10   2.055   3.814   6.783
   79    H    ALA  11           H        ALA  11   7.326  -0.243   4.676
   80    HA   ALA  11           HA       ALA  11   9.121  -2.469   3.926
   81   1HB   ALA  11          1HB       ALA  11   9.287   0.552   3.912
   82   2HB   ALA  11          3HB       ALA  11  10.686  -0.444   3.510
   83   3HB   ALA  11          2HB       ALA  11   9.221  -0.544   2.532
   84    H    LYS  12           H        LYS  12  10.976  -3.150   5.098
   85    HA   LYS  12           HA       LYS  12  11.631  -1.706   7.629
   86   1HB   LYS  12          1HB       LYS  12  10.579  -4.492   7.239
   87   2HB   LYS  12          2HB       LYS  12  11.699  -4.184   8.566
   88   1HG   LYS  12          1HG       LYS  12   9.265  -2.454   8.116
   89   2HG   LYS  12          2HG       LYS  12   9.187  -3.930   9.079
   90   1HD   LYS  12          1HD       LYS  12  10.659  -3.096  10.711
   91   2HD   LYS  12          2HD       LYS  12  11.302  -1.858   9.631
   92   1HE   LYS  12          1HE       LYS  12   9.420  -0.472   9.883
   93   2HE   LYS  12          2HE       LYS  12   8.388  -1.815  10.416
   94   1HZ   LYS  12          3HZ       LYS  12   9.828  -2.044  12.380
   95   2HZ   LYS  12          2HZ       LYS  12  10.696  -0.666  11.895
   96   3HZ   LYS  12          1HZ       LYS  12   9.058  -0.533  12.326
   97    H    ARG  13           H        ARG  13  12.516  -4.747   5.860
   98    HA   ARG  13           HA       ARG  13  15.371  -3.820   5.951
   99   1HB   ARG  13          1HB       ARG  13  14.453  -5.706   7.553
  100   2HB   ARG  13          2HB       ARG  13  14.554  -6.710   6.106
  101   1HG   ARG  13          1HG       ARG  13  16.915  -5.005   6.758
  102   2HG   ARG  13          2HG       ARG  13  16.635  -6.425   7.766
  103   1HD   ARG  13          1HD       ARG  13  16.249  -7.495   5.278
  104   2HD   ARG  13          2HD       ARG  13  17.497  -6.278   4.940
  105    HE   ARG  13           HE       ARG  13  17.765  -8.508   6.898
  106   1HH1  ARG  13          1HH1      ARG  13  19.895  -9.218   5.743
  107   2HH1  ARG  13          2HH1      ARG  13  21.156  -8.043   5.917
  108   1HH2  ARG  13          1HH2      ARG  13  19.014  -5.499   6.898
  109   2HH2  ARG  13          2HH2      ARG  13  20.657  -5.938   6.570
  110    H    GLY  14           H        GLY  14  15.010  -3.074   3.661
  111   1HA   GLY  14          2HA       GLY  14  14.494  -5.263   1.714
  112   2HA   GLY  14          1HA       GLY  14  16.012  -4.373   1.593
  113    H    THR  15           H        THR  15  14.794  -4.002  -0.664
  114    HA   THR  15           HA       THR  15  12.903  -1.696  -0.443
  115    HB   THR  15           HB       THR  15  14.351  -0.517  -2.118
  116    HG1  THR  15           HG1      THR  15  15.448  -2.193  -3.025
  117   1HG2  THR  15          3HG2      THR  15  14.553  -0.282   0.434
  118   2HG2  THR  15          2HG2      THR  15  15.989  -1.296   0.293
  119   3HG2  THR  15          1HG2      THR  15  15.928   0.263  -0.527
  120    H    ALA  16           H        ALA  16  11.327  -1.726  -2.112
  121    HA   ALA  16           HA       ALA  16  11.721  -3.773  -4.272
  122   1HB   ALA  16          1HB       ALA  16   9.043  -2.946  -3.187
  123   2HB   ALA  16          3HB       ALA  16   9.517  -4.480  -3.917
  124   3HB   ALA  16          2HB       ALA  16  10.034  -4.088  -2.277
  125    H    GLY  17           H        GLY  17  10.882  -3.210  -6.378
  126   1HA   GLY  17          2HA       GLY  17  10.770  -1.571  -8.092
  127   2HA   GLY  17          1HA       GLY  17  10.759  -0.311  -6.857
  128    H    CYS  18           H        CYS  18   8.833   0.787  -6.787
  129    HA   CYS  18           HA       CYS  18   6.266  -0.529  -6.524
  130   1HB   CYS  18          1HB       CYS  18   6.672   1.699  -5.655
  131   2HB   CYS  18          2HB       CYS  18   7.133   2.295  -7.243
  132    H    LYS  19           H        LYS  19   5.091  -1.539  -8.159
  133    HA   LYS  19           HA       LYS  19   5.857  -1.469 -10.943
  134   1HB   LYS  19          1HB       LYS  19   3.486  -2.393  -9.350
  135   2HB   LYS  19          2HB       LYS  19   3.304  -2.277 -11.101
  136   1HG   LYS  19          1HG       LYS  19   5.787  -3.589 -10.121
  137   2HG   LYS  19          2HG       LYS  19   4.284  -4.478  -9.876
  138   1HD   LYS  19          1HD       LYS  19   4.864  -5.193 -12.010
  139   2HD   LYS  19          2HD       LYS  19   3.838  -3.811 -12.393
  140   1HE   LYS  19          1HE       LYS  19   5.770  -2.381 -12.722
  141   2HE   LYS  19          2HE       LYS  19   6.862  -3.654 -12.140
  142   1HZ   LYS  19          2HZ       LYS  19   6.052  -5.092 -13.922
  143   2HZ   LYS  19          1HZ       LYS  19   5.073  -3.833 -14.508
  144   3HZ   LYS  19          3HZ       LYS  19   6.762  -3.682 -14.550
  145    H    LYS  20           H        LYS  20   4.918  -0.219 -12.727
  146    HA   LYS  20           HA       LYS  20   4.035   1.772 -13.672
  147   1HB   LYS  20          1HB       LYS  20   2.053   1.140 -11.446
  148   2HB   LYS  20          2HB       LYS  20   1.763   2.352 -12.696
  149   1HG   LYS  20          1HG       LYS  20   2.282   0.453 -14.379
  150   2HG   LYS  20          2HG       LYS  20   2.038  -0.635 -13.012
  151   1HD   LYS  20          1HD       LYS  20  -0.092  -0.458 -14.071
  152   2HD   LYS  20          2HD       LYS  20  -0.191   0.567 -12.638
  153   1HE   LYS  20          1HE       LYS  20  -0.982   2.097 -14.178
  154   2HE   LYS  20          2HE       LYS  20   0.752   2.374 -14.440
  155   1HZ   LYS  20          3HZ       LYS  20   0.719   0.596 -16.108
  156   2HZ   LYS  20          2HZ       LYS  20  -0.962   0.439 -15.909
  157   3HZ   LYS  20          1HZ       LYS  20  -0.308   1.876 -16.537
  158    H    CYS  21           H        CYS  21   6.171   2.600 -12.404
  159    HA   CYS  21           HA       CYS  21   5.487   5.121 -11.088
  160   1HB   CYS  21          1HB       CYS  21   4.982   3.377  -9.371
  161   2HB   CYS  21          2HB       CYS  21   6.664   2.863  -9.443
  162    H    LYS  22           H        LYS  22   8.132   2.640 -11.375
  163    HA   LYS  22           HA       LYS  22  10.391   2.908 -11.989
  164   1HB   LYS  22          1HB       LYS  22   9.197   4.677 -13.566
  165   2HB   LYS  22          2HB       LYS  22   9.925   5.848 -12.465
  166   1HG   LYS  22          1HG       LYS  22  12.146   4.863 -12.871
  167   2HG   LYS  22          2HG       LYS  22  11.426   3.677 -13.959
  168   1HD   LYS  22          1HD       LYS  22  11.096   5.209 -15.638
  169   2HD   LYS  22          2HD       LYS  22  10.823   6.539 -14.511
  170   1HE   LYS  22          1HE       LYS  22  13.564   5.305 -14.687
  171   2HE   LYS  22          2HE       LYS  22  13.056   6.502 -15.897
  172   1HZ   LYS  22          3HZ       LYS  22  12.330   7.932 -14.029
  173   2HZ   LYS  22          2HZ       LYS  22  13.026   6.827 -12.943
  174   3HZ   LYS  22          1HZ       LYS  22  14.005   7.667 -14.049
  175    H    GLU  23           H        GLU  23   9.579   3.001  -9.307
  176    HA   GLU  23           HA       GLU  23  11.623   4.824  -8.133
  177   1HB   GLU  23          1HB       GLU  23   9.025   5.531  -8.225
  178   2HB   GLU  23          2HB       GLU  23   8.992   4.559  -6.757
  179   1HG   GLU  23          1HG       GLU  23   9.705   6.431  -5.697
  180   2HG   GLU  23          2HG       GLU  23  11.276   6.091  -6.420
  181    H    LYS  24           H        LYS  24  11.252   4.163  -5.438
  182    HA   LYS  24           HA       LYS  24  11.265   1.164  -5.350
  183   1HB   LYS  24          1HB       LYS  24  13.543   2.438  -5.603
  184   2HB   LYS  24          2HB       LYS  24  13.296   2.860  -3.907
  185   1HG   LYS  24          1HG       LYS  24  13.115   0.493  -3.312
  186   2HG   LYS  24          2HG       LYS  24  13.276   0.035  -5.009
  187   1HD   LYS  24          1HD       LYS  24  15.442  -0.217  -3.936
  188   2HD   LYS  24          2HD       LYS  24  15.519   1.157  -5.040
  189   1HE   LYS  24          1HE       LYS  24  15.209   2.723  -3.186
  190   2HE   LYS  24          2HE       LYS  24  15.009   1.374  -2.051
  191   1HZ   LYS  24          1HZ       LYS  24  17.206   0.560  -2.736
  192   2HZ   LYS  24          3HZ       LYS  24  17.406   1.926  -3.722
  193   3HZ   LYS  24          2HZ       LYS  24  17.297   2.106  -2.035
  194    H    ILE  25           H        ILE  25  10.886   0.317  -3.162
  195    HA   ILE  25           HA       ILE  25   9.464   2.292  -1.406
  196    HB   ILE  25           HB       ILE  25   9.186  -0.728  -1.646
  197   1HG1  ILE  25          1HG1      ILE  25   7.306   1.433  -2.650
  198   2HG1  ILE  25          2HG1      ILE  25   8.479   0.613  -3.682
  199   1HG2  ILE  25          1HG2      ILE  25   8.530   0.702   0.508
  200   2HG2  ILE  25          3HG2      ILE  25   7.111   1.074  -0.473
  201   3HG2  ILE  25          2HG2      ILE  25   7.495  -0.602  -0.076
  202   1HD1  ILE  25          3HD1      ILE  25   6.410  -0.862  -2.037
  203   2HD1  ILE  25          2HD1      ILE  25   6.149  -0.389  -3.716
  204   3HD1  ILE  25          1HD1      ILE  25   7.438  -1.522  -3.309
  205    H    VAL  26           H        VAL  26  10.871   2.892   0.257
  206    HA   VAL  26           HA       VAL  26  12.611   0.757   1.455
  207    HB   VAL  26           HB       VAL  26  14.028   2.630   2.171
  208   1HG1  VAL  26          2HG1      VAL  26  13.835   1.675  -0.336
  209   2HG1  VAL  26          1HG1      VAL  26  13.470   3.370  -0.657
  210   3HG1  VAL  26          3HG1      VAL  26  14.993   2.928   0.114
  211   1HG2  VAL  26          3HG2      VAL  26  11.695   4.153   1.965
  212   2HG2  VAL  26          2HG2      VAL  26  13.314   4.778   2.268
  213   3HG2  VAL  26          1HG2      VAL  26  12.685   4.724   0.622
  214    H    LYS  27           H        LYS  27  13.019   1.096   3.868
  215    HA   LYS  27           HA       LYS  27  10.725   0.752   5.437
  216   1HB   LYS  27          1HB       LYS  27  13.102   0.421   6.150
  217   2HB   LYS  27          2HB       LYS  27  13.268   2.171   6.304
  218   1HG   LYS  27          1HG       LYS  27  11.064   1.853   7.795
  219   2HG   LYS  27          2HG       LYS  27  11.766   0.251   8.021
  220   1HD   LYS  27          1HD       LYS  27  13.925   1.348   8.670
  221   2HD   LYS  27          2HD       LYS  27  13.108   2.909   8.587
  222   1HE   LYS  27          1HE       LYS  27  11.393   1.910  10.240
  223   2HE   LYS  27          2HE       LYS  27  12.597   0.635  10.514
  224   1HZ   LYS  27          3HZ       LYS  27  13.111   3.557  10.706
  225   2HZ   LYS  27          2HZ       LYS  27  12.927   2.508  12.029
  226   3HZ   LYS  27          1HZ       LYS  27  14.249   2.328  10.977
  227    H    GLY  28           H        GLY  28   9.169   2.104   6.424
  228   1HA   GLY  28          2HA       GLY  28   9.603   5.049   6.172
  229   2HA   GLY  28          1HA       GLY  28   8.558   4.293   7.373
  230    H    VAL  29           H        VAL  29   8.436   3.079   4.047
  231    HA   VAL  29           HA       VAL  29   5.887   4.597   3.650
  232    HB   VAL  29           HB       VAL  29   7.738   5.081   2.070
  233   1HG1  VAL  29          3HG1      VAL  29   8.053   2.224   2.119
  234   2HG1  VAL  29          2HG1      VAL  29   7.726   2.728   0.465
  235   3HG1  VAL  29          1HG1      VAL  29   9.077   3.429   1.350
  236   1HG2  VAL  29          3HG2      VAL  29   5.391   5.224   1.313
  237   2HG2  VAL  29          2HG2      VAL  29   6.453   4.718  -0.001
  238   3HG2  VAL  29          1HG2      VAL  29   5.446   3.529   0.827
  239    H    CYS  30           H        CYS  30   3.986   3.408   3.291
  240    HA   CYS  30           HA       CYS  30   4.189   0.465   3.677
  241   1HB   CYS  30          1HB       CYS  30   2.581   1.888   4.960
  242   2HB   CYS  30          2HB       CYS  30   1.773   2.293   3.446
  243    HG   CYS  30           HG       CYS  30   1.982  -0.727   4.042
  244    H    ARG  31           H        ARG  31   3.571  -1.072   2.086
  245    HA   ARG  31           HA       ARG  31   2.764   0.054  -0.582
  246   1HB   ARG  31          1HB       ARG  31   4.270  -1.659  -1.570
  247   2HB   ARG  31          2HB       ARG  31   5.151  -0.555  -0.516
  248   1HG   ARG  31          1HG       ARG  31   5.255  -2.160   1.248
  249   2HG   ARG  31          2HG       ARG  31   4.058  -3.197   0.471
  250   1HD   ARG  31          1HD       ARG  31   5.670  -4.260  -0.718
  251   2HD   ARG  31          2HD       ARG  31   6.320  -2.719  -1.309
  252    HE   ARG  31           HE       ARG  31   7.523  -2.542   0.905
  253   1HH1  ARG  31          1HH1      ARG  31   8.986  -4.607  -0.497
  254   2HH1  ARG  31          2HH1      ARG  31   8.911  -5.972   0.565
  255   1HH2  ARG  31          1HH2      ARG  31   6.262  -4.720   2.420
  256   2HH2  ARG  31          2HH2      ARG  31   7.369  -6.036   2.217
  257    H    ILE  32           H        ILE  32   1.392  -1.372  -1.880
  258    HA   ILE  32           HA       ILE  32   0.031  -3.476  -0.229
  259    HB   ILE  32           HB       ILE  32  -1.105  -2.128  -2.692
  260   1HG1  ILE  32          1HG1      ILE  32  -1.416  -1.154   0.180
  261   2HG1  ILE  32          2HG1      ILE  32  -0.418  -0.352  -1.031
  262   1HG2  ILE  32          2HG2      ILE  32  -2.112  -4.208  -1.625
  263   2HG2  ILE  32          1HG2      ILE  32  -2.482  -3.203  -0.223
  264   3HG2  ILE  32          3HG2      ILE  32  -3.200  -2.829  -1.790
  265   1HD1  ILE  32          2HD1      ILE  32  -3.372  -0.893  -1.412
  266   2HD1  ILE  32          1HD1      ILE  32  -2.739   0.625  -0.773
  267   3HD1  ILE  32          3HD1      ILE  32  -2.333   0.120  -2.414
  268    H    GLY  33           H        GLY  33  -0.074  -5.584  -1.044
  269   1HA   GLY  33          2HA       GLY  33   1.149  -7.230  -2.401
  270   2HA   GLY  33          1HA       GLY  33   1.208  -6.039  -3.703
  271    H    LYS  34           H        LYS  34  -0.135  -6.800  -5.353
  272    HA   LYS  34           HA       LYS  34  -2.901  -7.633  -4.538
  273   1HB   LYS  34          1HB       LYS  34  -2.604  -5.590  -5.948
  274   2HB   LYS  34          2HB       LYS  34  -1.833  -6.584  -7.182
  275   1HG   LYS  34          1HG       LYS  34  -3.911  -7.981  -7.281
  276   2HG   LYS  34          2HG       LYS  34  -4.677  -6.845  -6.171
  277   1HD   LYS  34          1HD       LYS  34  -5.348  -5.991  -8.236
  278   2HD   LYS  34          2HD       LYS  34  -3.891  -5.046  -7.925
  279   1HE   LYS  34          1HE       LYS  34  -2.567  -6.465  -9.366
  280   2HE   LYS  34          2HE       LYS  34  -3.900  -7.624  -9.530
  281   1HZ   LYS  34          2HZ       LYS  34  -4.115  -4.759 -10.274
  282   2HZ   LYS  34          1HZ       LYS  34  -3.737  -5.984 -11.388
  283   3HZ   LYS  34          3HZ       LYS  34  -5.237  -5.994 -10.597
  284    H    VAL  35           H        VAL  35  -3.182  -9.870  -4.647
  285    HA   VAL  35           HA       VAL  35  -1.568 -11.379  -6.680
  286    HB   VAL  35           HB       VAL  35  -2.969 -12.274  -4.134
  287   1HG1  VAL  35          3HG1      VAL  35  -2.702 -14.001  -5.970
  288   2HG1  VAL  35          2HG1      VAL  35  -0.959 -13.772  -5.835
  289   3HG1  VAL  35          1HG1      VAL  35  -1.875 -14.395  -4.464
  290   1HG2  VAL  35          1HG2      VAL  35  -0.978 -10.764  -3.823
  291   2HG2  VAL  35          3HG2      VAL  35  -0.745 -12.383  -3.163
  292   3HG2  VAL  35          2HG2      VAL  35  -0.007 -11.944  -4.703
  293    H    VAL  36           H        VAL  36  -2.845 -11.641  -8.538
  294    HA   VAL  36           HA       VAL  36  -5.708 -12.446  -8.118
  295    HB   VAL  36           HB       VAL  36  -4.375 -10.911 -10.377
  296   1HG1  VAL  36          1HG1      VAL  36  -6.336 -12.348 -11.038
  297   2HG1  VAL  36          3HG1      VAL  36  -7.321 -11.441  -9.890
  298   3HG1  VAL  36          2HG1      VAL  36  -6.605 -10.622 -11.278
  299   1HG2  VAL  36          2HG2      VAL  36  -4.665  -9.720  -8.150
  300   2HG2  VAL  36          1HG2      VAL  36  -5.506  -8.970  -9.506
  301   3HG2  VAL  36          3HG2      VAL  36  -6.403  -9.945  -8.342
  302    HA   PRO  37           HA       PRO  37  -3.914 -16.087 -10.152
  303   1HB   PRO  37          1HB       PRO  37  -6.051 -17.749  -9.750
  304   2HB   PRO  37          2HB       PRO  37  -4.840 -17.414  -8.496
  305   1HG   PRO  37          1HG       PRO  37  -7.571 -16.290  -8.838
  306   2HG   PRO  37          2HG       PRO  37  -6.710 -16.738  -7.358
  307   1HD   PRO  37          1HD       PRO  37  -6.983 -14.165  -8.239
  308   2HD   PRO  37          2HD       PRO  37  -5.642 -14.725  -7.215
  309    H    ASN  38           H        ASN  38  -4.071 -16.543 -12.371
  310    HA   ASN  38           HA       ASN  38  -6.515 -15.551 -13.787
  311   1HB   ASN  38          1HB       ASN  38  -4.204 -14.708 -14.355
  312   2HB   ASN  38          2HB       ASN  38  -3.800 -16.340 -14.887
  313   1HD2  ASN  38          2HD2      ASN  38  -3.778 -16.192 -17.185
  314   2HD2  ASN  38          1HD2      ASN  38  -5.054 -15.545 -18.097
  315    HA   PRO  39           HA       PRO  39  -7.382 -19.962 -14.208
  316   1HB   PRO  39          1HB       PRO  39  -9.788 -19.709 -15.485
  317   2HB   PRO  39          2HB       PRO  39  -9.601 -19.511 -13.732
  318   1HG   PRO  39          1HG       PRO  39  -9.839 -17.442 -15.856
  319   2HG   PRO  39          2HG       PRO  39 -10.513 -17.464 -14.219
  320   1HD   PRO  39          1HD       PRO  39  -8.296 -16.036 -14.922
  321   2HD   PRO  39          2HD       PRO  39  -8.599 -16.643 -13.279
  322    H    PHE  40           H        PHE  40  -5.450 -19.642 -15.883
  323    HA   PHE  40           HA       PHE  40  -6.493 -20.415 -18.558
  324   1HB   PHE  40          1HB       PHE  40  -6.291 -17.944 -18.528
  325   2HB   PHE  40          2HB       PHE  40  -4.601 -18.093 -18.048
  326    HD1  PHE  40           HD1      PHE  40  -6.993 -18.345 -20.800
  327    HD2  PHE  40           HD2      PHE  40  -2.934 -19.085 -19.603
  328    HE1  PHE  40           HE1      PHE  40  -6.333 -18.578 -23.179
  329    HE2  PHE  40           HE2      PHE  40  -2.275 -19.319 -21.981
  330    HZ   PHE  40           HZ       PHE  40  -3.973 -19.065 -23.770
  331    H    SER  41           H        SER  41  -3.367 -19.503 -16.957
  332    HA   SER  41           HA       SER  41  -2.205 -22.040 -18.065
  333   1HB   SER  41          1HB       SER  41  -1.300 -19.234 -17.757
  334   2HB   SER  41          2HB       SER  41  -0.087 -20.458 -17.386
  335    HG   SER  41           HG       SER  41  -0.229 -19.795 -19.642
  336    H    GLU  42           H        GLU  42  -0.679 -23.204 -16.617
  337    HA   GLU  42           HA       GLU  42  -1.459 -22.912 -13.748
  338   1HB   GLU  42          1HB       GLU  42  -1.254 -25.074 -15.377
  339   2HB   GLU  42          2HB       GLU  42   0.359 -25.081 -14.662
  340   1HG   GLU  42          1HG       GLU  42  -0.744 -26.292 -13.043
  341   2HG   GLU  42          2HG       GLU  42  -1.061 -24.669 -12.426
  342    H    SER  43           H        SER  43   1.487 -22.916 -15.815
  343    HA   SER  43           HA       SER  43   3.446 -22.741 -13.743
  344   1HB   SER  43          1HB       SER  43   3.464 -21.364 -16.452
  345   2HB   SER  43          2HB       SER  43   4.879 -21.769 -15.485
  346    HG   SER  43           HG       SER  43   4.446 -23.926 -15.791
  347    H    GLY  44           H        GLY  44   1.503 -20.127 -15.272
  348   1HA   GLY  44          2HA       GLY  44   1.337 -17.849 -14.702
  349   2HA   GLY  44          1HA       GLY  44   2.837 -18.016 -13.787
  350    H    GLY  45           H        GLY  45  -0.551 -19.288 -13.554
  351   1HA   GLY  45          2HA       GLY  45  -0.413 -19.463 -10.668
  352   2HA   GLY  45          1HA       GLY  45  -1.876 -19.618 -11.644
  353    H    ASP  46           H        ASP  46   0.036 -17.454  -9.673
  354    HA   ASP  46           HA       ASP  46  -1.802 -15.185 -10.358
  355   1HB   ASP  46          1HB       ASP  46  -2.018 -14.817  -7.905
  356   2HB   ASP  46          2HB       ASP  46  -2.622 -16.402  -8.383
  357    H    MET  47           H        MET  47  -0.837 -13.082 -10.119
  358    HA   MET  47           HA       MET  47   2.123 -13.118  -9.607
  359   1HB   MET  47          1HB       MET  47   0.305 -11.586 -11.468
  360   2HB   MET  47          2HB       MET  47   1.919 -10.987 -11.085
  361   1HG   MET  47          1HG       MET  47   2.980 -12.796 -12.111
  362   2HG   MET  47          2HG       MET  47   1.568 -13.840 -11.957
  363   1HE   MET  47          2HE       MET  47   2.814 -14.235 -14.257
  364   2HE   MET  47          1HE       MET  47   2.291 -13.472 -15.756
  365   3HE   MET  47          3HE       MET  47   3.553 -12.720 -14.770
  366    H    LYS  48           H        LYS  48   2.963 -11.530  -8.153
  367    HA   LYS  48           HA       LYS  48   0.904  -9.846  -6.757
  368   1HB   LYS  48          1HB       LYS  48   2.004 -11.816  -5.557
  369   2HB   LYS  48          2HB       LYS  48   3.516 -10.912  -5.655
  370   1HG   LYS  48          1HG       LYS  48   2.306  -8.981  -4.534
  371   2HG   LYS  48          2HG       LYS  48   0.970 -10.093  -4.236
  372   1HD   LYS  48          1HD       LYS  48   3.821 -10.618  -3.354
  373   2HD   LYS  48          2HD       LYS  48   2.589  -9.903  -2.313
  374   1HE   LYS  48          1HE       LYS  48   1.171 -11.910  -2.597
  375   2HE   LYS  48          2HE       LYS  48   2.410 -12.633  -3.642
  376   1HZ   LYS  48          1HZ       LYS  48   2.946 -11.649  -0.892
  377   2HZ   LYS  48          3HZ       LYS  48   2.594 -13.269  -1.249
  378   3HZ   LYS  48          2HZ       LYS  48   3.992 -12.545  -1.887
  379    H    GLU  49           H        GLU  49   1.234  -7.637  -7.063
  380    HA   GLU  49           HA       GLU  49   4.014  -6.739  -7.759
  381   1HB   GLU  49          1HB       GLU  49   1.236  -5.869  -8.579
  382   2HB   GLU  49          2HB       GLU  49   2.631  -4.815  -8.814
  383   1HG   GLU  49          1HG       GLU  49   3.674  -6.330 -10.300
  384   2HG   GLU  49          2HG       GLU  49   2.649  -7.671  -9.787
  385    H    TRP  50           H        TRP  50   4.909  -5.108  -6.434
  386    HA   TRP  50           HA       TRP  50   3.296  -4.304  -4.059
  387   1HB   TRP  50          1HB       TRP  50   6.211  -4.164  -4.853
  388   2HB   TRP  50          2HB       TRP  50   5.608  -3.315  -3.429
  389    HD1  TRP  50           HD1      TRP  50   7.243  -6.372  -4.176
  390    HE1  TRP  50           HE1      TRP  50   6.688  -8.241  -2.491
  391    HE3  TRP  50           HE3      TRP  50   3.095  -4.367  -1.965
  392    HZ2  TRP  50           HZ2      TRP  50   4.744  -8.811  -0.472
  393    HZ3  TRP  50           HZ3      TRP  50   1.915  -5.595  -0.166
  394    HH2  TRP  50           HH2      TRP  50   2.732  -7.812   0.583
  395    H    TYR  51           H        TYR  51   2.481  -2.210  -3.797
  396    HA   TYR  51           HA       TYR  51   3.276  -0.179  -5.863
  397   1HB   TYR  51          1HB       TYR  51   0.639  -0.722  -4.468
  398   2HB   TYR  51          2HB       TYR  51   0.930   0.640  -5.547
  399    HD1  TYR  51           HD1      TYR  51   1.375   0.275  -7.958
  400    HD2  TYR  51           HD2      TYR  51   0.373  -2.955  -5.305
  401    HE1  TYR  51           HE1      TYR  51   0.842  -1.168  -9.904
  402    HE2  TYR  51           HE2      TYR  51  -0.153  -4.396  -7.242
  403    HH   TYR  51           HH       TYR  51   0.843  -3.887 -10.234
  404    H    HIS  52           H        HIS  52   2.602   2.128  -5.003
  405    HA   HIS  52           HA       HIS  52   3.766   2.446  -2.259
  406   1HB   HIS  52          1HB       HIS  52   3.445   4.060  -4.744
  407   2HB   HIS  52          2HB       HIS  52   3.430   4.959  -3.234
  408    HD2  HIS  52           HD2      HIS  52   5.846   3.655  -1.566
  409    HE1  HIS  52           HE1      HIS  52   8.206   3.907  -5.078
  410    HE2  HIS  52           HE2      HIS  52   8.232   3.639  -2.575
  411    H    ILE  53           H        ILE  53   2.518   4.704  -1.301
  412    HA   ILE  53           HA       ILE  53  -0.258   3.763  -0.863
  413    HB   ILE  53           HB       ILE  53   1.362   6.086   0.244
  414   1HG1  ILE  53          1HG1      ILE  53   2.139   3.821   0.888
  415   2HG1  ILE  53          2HG1      ILE  53   1.467   4.684   2.270
  416   1HG2  ILE  53          3HG2      ILE  53  -1.423   5.881   0.226
  417   2HG2  ILE  53          2HG2      ILE  53  -0.974   5.232   1.799
  418   3HG2  ILE  53          1HG2      ILE  53  -0.463   6.851   1.341
  419   1HD1  ILE  53          1HD1      ILE  53  -0.727   3.364   1.095
  420   2HD1  ILE  53          3HD1      ILE  53   0.589   2.186   1.073
  421   3HD1  ILE  53          2HD1      ILE  53   0.089   2.925   2.595
  422    H    LYS  54           H        LYS  54   1.398   6.522  -2.465
  423    HA   LYS  54           HA       LYS  54  -1.229   7.674  -3.230
  424   1HB   LYS  54          1HB       LYS  54   1.196   8.768  -2.635
  425   2HB   LYS  54          2HB       LYS  54   1.287   8.730  -4.396
  426   1HG   LYS  54          1HG       LYS  54  -1.241   9.726  -3.154
  427   2HG   LYS  54          2HG       LYS  54   0.170  10.784  -3.112
  428   1HD   LYS  54          1HD       LYS  54   0.410  10.292  -5.623
  429   2HD   LYS  54          2HD       LYS  54  -1.223   9.632  -5.533
  430   1HE   LYS  54          1HE       LYS  54  -2.188  11.704  -5.208
  431   2HE   LYS  54          2HE       LYS  54  -0.780  12.332  -4.327
  432   1HZ   LYS  54          1HZ       LYS  54  -0.814  11.692  -7.229
  433   2HZ   LYS  54          3HZ       LYS  54  -0.962  13.256  -6.591
  434   3HZ   LYS  54          2HZ       LYS  54   0.475  12.380  -6.362
  435    H    CYS  55           H        CYS  55   1.326   5.701  -4.718
  436    HA   CYS  55           HA       CYS  55   0.507   6.180  -7.465
  437   1HB   CYS  55          1HB       CYS  55   1.938   3.812  -6.213
  438   2HB   CYS  55          2HB       CYS  55   1.888   4.176  -7.936
  439    H    MET  56           H        MET  56  -0.238   3.532  -5.152
  440    HA   MET  56           HA       MET  56  -1.973   2.126  -7.006
  441   1HB   MET  56          1HB       MET  56  -0.838   1.242  -4.877
  442   2HB   MET  56          2HB       MET  56  -2.128   2.043  -3.980
  443   1HG   MET  56          1HG       MET  56  -2.806  -0.247  -4.328
  444   2HG   MET  56          2HG       MET  56  -3.787   0.764  -5.389
  445   1HE   MET  56          2HE       MET  56  -4.567  -0.362  -6.851
  446   2HE   MET  56          1HE       MET  56  -3.744   0.108  -8.336
  447   3HE   MET  56          3HE       MET  56  -3.898  -1.601  -7.910
  448    H    PHE  57           H        PHE  57  -2.610   4.599  -4.487
  449    HA   PHE  57           HA       PHE  57  -5.512   4.438  -4.889
  450   1HB   PHE  57          1HB       PHE  57  -3.597   6.136  -3.348
  451   2HB   PHE  57          2HB       PHE  57  -5.190   6.815  -3.677
  452    HD1  PHE  57           HD1      PHE  57  -7.256   5.427  -3.063
  453    HD2  PHE  57           HD2      PHE  57  -3.312   4.486  -1.659
  454    HE1  PHE  57           HE1      PHE  57  -8.225   4.032  -1.259
  455    HE2  PHE  57           HE2      PHE  57  -4.268   3.100   0.142
  456    HZ   PHE  57           HZ       PHE  57  -6.735   2.867   0.344
  457    H    GLU  58           H        GLU  58  -2.855   6.360  -6.299
  458    HA   GLU  58           HA       GLU  58  -4.493   8.342  -7.598
  459   1HB   GLU  58          1HB       GLU  58  -2.020   8.477  -7.373
  460   2HB   GLU  58          2HB       GLU  58  -1.854   7.115  -8.481
  461   1HG   GLU  58          1HG       GLU  58  -1.539   9.080  -9.808
  462   2HG   GLU  58          2HG       GLU  58  -3.167   8.507 -10.173
  463    H    LYS  59           H        LYS  59  -3.558   5.009  -8.549
  464    HA   LYS  59           HA       LYS  59  -4.532   5.113 -11.253
  465   1HB   LYS  59          1HB       LYS  59  -3.254   3.260  -9.803
  466   2HB   LYS  59          2HB       LYS  59  -4.891   2.634  -9.603
  467   1HG   LYS  59          1HG       LYS  59  -5.158   2.715 -12.101
  468   2HG   LYS  59          2HG       LYS  59  -3.453   3.154 -12.220
  469   1HD   LYS  59          1HD       LYS  59  -3.040   1.029 -10.774
  470   2HD   LYS  59          2HD       LYS  59  -4.668   0.567 -11.270
  471   1HE   LYS  59          1HE       LYS  59  -3.609   1.319 -13.677
  472   2HE   LYS  59          2HE       LYS  59  -2.178   0.649 -12.867
  473   1HZ   LYS  59          2HZ       LYS  59  -3.599  -1.259 -12.192
  474   2HZ   LYS  59          1HZ       LYS  59  -4.825  -0.656 -13.203
  475   3HZ   LYS  59          3HZ       LYS  59  -3.347  -1.156 -13.869
  476    H    LEU  60           H        LEU  60  -6.241   4.404  -8.181
  477    HA   LEU  60           HA       LEU  60  -8.780   3.696  -9.345
  478   1HB   LEU  60          1HB       LEU  60  -7.808   4.740  -6.702
  479   2HB   LEU  60          2HB       LEU  60  -9.544   4.769  -7.012
  480    HG   LEU  60           HG       LEU  60  -9.423   2.341  -7.618
  481   1HD1  LEU  60          3HD1      LEU  60  -6.584   2.650  -6.593
  482   2HD1  LEU  60          2HD1      LEU  60  -7.371   1.110  -6.936
  483   3HD1  LEU  60          1HD1      LEU  60  -7.056   2.249  -8.245
  484   1HD2  LEU  60          1HD2      LEU  60  -8.495   3.230  -4.874
  485   2HD2  LEU  60          3HD2      LEU  60 -10.144   2.874  -5.389
  486   3HD2  LEU  60          2HD2      LEU  60  -8.967   1.568  -5.234
  487    H    GLU  61           H        GLU  61  -7.427   6.887  -8.377
  488    HA   GLU  61           HA       GLU  61  -9.725   8.491  -8.939
  489   1HB   GLU  61          1HB       GLU  61  -7.295   9.034  -8.004
  490   2HB   GLU  61          2HB       GLU  61  -6.974   9.436  -9.692
  491   1HG   GLU  61          1HG       GLU  61  -9.121  10.855  -9.580
  492   2HG   GLU  61          2HG       GLU  61  -8.997  10.681  -7.829
  493    H    ARG  62           H        ARG  62  -7.300   7.080 -11.152
  494    HA   ARG  62           HA       ARG  62  -8.695   8.349 -13.474
  495   1HB   ARG  62          1HB       ARG  62  -6.010   7.035 -13.007
  496   2HB   ARG  62          2HB       ARG  62  -6.610   7.331 -14.642
  497   1HG   ARG  62          1HG       ARG  62  -7.079   9.759 -13.559
  498   2HG   ARG  62          2HG       ARG  62  -5.695   9.272 -12.580
  499   1HD   ARG  62          1HD       ARG  62  -5.722   9.148 -15.616
  500   2HD   ARG  62          2HD       ARG  62  -5.033  10.492 -14.685
  501    HE   ARG  62           HE       ARG  62  -4.053   7.671 -14.555
  502   1HH1  ARG  62          1HH1      ARG  62  -2.729   8.022 -12.416
  503   2HH1  ARG  62          2HH1      ARG  62  -1.525   9.254 -12.600
  504   1HH2  ARG  62          1HH2      ARG  62  -2.936  10.575 -15.479
  505   2HH2  ARG  62          2HH2      ARG  62  -1.642  10.699 -14.334
  506    H    ALA  63           H        ALA  63  -9.814   5.963 -11.893
  507    HA   ALA  63           HA       ALA  63  -9.696   3.889 -14.057
  508   1HB   ALA  63          2HB       ALA  63  -8.959   2.893 -12.066
  509   2HB   ALA  63          3HB       ALA  63 -10.684   2.528 -12.021
  510   3HB   ALA  63          1HB       ALA  63 -10.040   3.865 -11.068
  511    H    ARG  64           H        ARG  64 -11.884   2.642 -14.250
  512    HA   ARG  64           HA       ARG  64 -14.053   4.658 -14.486
  513   1HB   ARG  64          1HB       ARG  64 -13.218   2.442 -15.954
  514   2HB   ARG  64          2HB       ARG  64 -14.682   1.865 -15.158
  515   1HG   ARG  64          1HG       ARG  64 -15.627   2.842 -17.026
  516   2HG   ARG  64          2HG       ARG  64 -15.609   4.238 -15.949
  517   1HD   ARG  64          1HD       ARG  64 -13.139   4.506 -16.983
  518   2HD   ARG  64          2HD       ARG  64 -13.923   3.684 -18.346
  519    HE   ARG  64           HE       ARG  64 -15.259   5.609 -18.667
  520   1HH1  ARG  64          1HH1      ARG  64 -12.933   6.427 -16.480
  521   2HH1  ARG  64          2HH1      ARG  64 -13.854   7.630 -15.640
  522   1HH2  ARG  64          1HH2      ARG  64 -16.846   6.798 -17.183
  523   2HH2  ARG  64          2HH2      ARG  64 -16.068   7.841 -16.039
  524    H    ALA  65           H        ALA  65 -16.071   4.521 -13.353
  525    HA   ALA  65           HA       ALA  65 -16.020   3.526 -10.668
  526   1HB   ALA  65          3HB       ALA  65 -17.548   5.290 -11.530
  527   2HB   ALA  65          2HB       ALA  65 -18.415   4.068 -12.460
  528   3HB   ALA  65          1HB       ALA  65 -18.440   4.015 -10.697
  529    H    THR  66           H        THR  66 -17.161   1.953 -13.681
  530    HA   THR  66           HA       THR  66 -18.640  -0.213 -12.646
  531    HB   THR  66           HB       THR  66 -16.673  -0.888 -14.766
  532    HG1  THR  66           HG1      THR  66 -17.398   0.637 -16.161
  533   1HG2  THR  66          1HG2      THR  66 -19.656  -0.997 -14.355
  534   2HG2  THR  66          3HG2      THR  66 -18.947  -1.280 -15.945
  535   3HG2  THR  66          2HG2      THR  66 -18.527  -2.332 -14.593
  536    H    THR  67           H        THR  67 -15.065   0.138 -12.706
  537    HA   THR  67           HA       THR  67 -14.876  -2.458 -11.208
  538    HB   THR  67           HB       THR  67 -12.763  -0.943 -12.776
  539    HG1  THR  67           HG1      THR  67 -14.193  -1.621 -14.262
  540   1HG2  THR  67          2HG2      THR  67 -12.044  -2.577 -10.969
  541   2HG2  THR  67          1HG2      THR  67 -12.822  -3.843 -11.919
  542   3HG2  THR  67          3HG2      THR  67 -11.461  -2.945 -12.593
  543    H    LYS  68           H        LYS  68 -14.454  -2.181  -9.015
  544    HA   LYS  68           HA       LYS  68 -13.004   0.314  -8.181
  545   1HB   LYS  68          1HB       LYS  68 -15.402   0.112  -7.525
  546   2HB   LYS  68          2HB       LYS  68 -15.023  -1.393  -6.687
  547   1HG   LYS  68          1HG       LYS  68 -13.633  -0.278  -5.101
  548   2HG   LYS  68          2HG       LYS  68 -13.604   1.202  -6.060
  549   1HD   LYS  68          1HD       LYS  68 -16.276   0.196  -5.207
  550   2HD   LYS  68          2HD       LYS  68 -15.248   0.903  -3.959
  551   1HE   LYS  68          1HE       LYS  68 -15.409   2.424  -6.513
  552   2HE   LYS  68          2HE       LYS  68 -16.873   2.412  -5.509
  553   1HZ   LYS  68          1HZ       LYS  68 -14.156   2.936  -4.435
  554   2HZ   LYS  68          3HZ       LYS  68 -15.221   4.171  -4.904
  555   3HZ   LYS  68          2HZ       LYS  68 -15.640   3.128  -3.628
  556    H    LYS  69           H        LYS  69 -11.245   0.038  -6.691
  557    HA   LYS  69           HA       LYS  69 -10.551  -2.807  -6.023
  558   1HB   LYS  69          1HB       LYS  69  -8.992  -0.495  -7.142
  559   2HB   LYS  69          2HB       LYS  69  -8.151  -1.719  -6.190
  560   1HG   LYS  69          1HG       LYS  69  -8.789  -3.465  -7.691
  561   2HG   LYS  69          2HG       LYS  69  -9.959  -2.427  -8.508
  562   1HD   LYS  69          1HD       LYS  69  -7.127  -1.499  -8.455
  563   2HD   LYS  69          2HD       LYS  69  -7.507  -2.863  -9.508
  564   1HE   LYS  69          1HE       LYS  69  -8.819  -1.586 -10.913
  565   2HE   LYS  69          2HE       LYS  69  -9.366  -0.524  -9.601
  566   1HZ   LYS  69          2HZ       LYS  69  -6.564  -0.602 -10.577
  567   2HZ   LYS  69          1HZ       LYS  69  -7.714   0.508 -11.151
  568   3HZ   LYS  69          3HZ       LYS  69  -7.259   0.530  -9.518
  569    H    ILE  70           H        ILE  70  -9.926  -3.174  -3.853
  570    HA   ILE  70           HA       ILE  70  -9.667  -2.722  -1.559
  571    HB   ILE  70           HB       ILE  70  -8.447  -0.202  -2.739
  572   1HG1  ILE  70          1HG1      ILE  70  -7.150  -2.837  -1.963
  573   2HG1  ILE  70          2HG1      ILE  70  -7.526  -2.363  -3.620
  574   1HG2  ILE  70          3HG2      ILE  70  -8.941  -0.182  -0.253
  575   2HG2  ILE  70          2HG2      ILE  70  -7.851  -1.559  -0.095
  576   3HG2  ILE  70          1HG2      ILE  70  -7.235  -0.007  -0.663
  577   1HD1  ILE  70          3HD1      ILE  70  -5.991  -0.389  -2.014
  578   2HD1  ILE  70          2HD1      ILE  70  -5.134  -1.865  -2.460
  579   3HD1  ILE  70          1HD1      ILE  70  -5.823  -0.833  -3.714
  580    H    GLU  71           H        GLU  71 -11.787  -2.438  -0.724
  581    HA   GLU  71           HA       GLU  71 -12.946   0.324  -0.915
  582   1HB   GLU  71          1HB       GLU  71 -14.192  -2.395  -0.381
  583   2HB   GLU  71          2HB       GLU  71 -15.087  -0.875  -0.438
  584   1HG   GLU  71          1HG       GLU  71 -14.395  -0.529  -2.766
  585   2HG   GLU  71          2HG       GLU  71 -13.442  -2.013  -2.719
  586    H    ASP  72           H        ASP  72 -13.502   1.403   1.058
  587    HA   ASP  72           HA       ASP  72 -13.338   1.894   3.359
  588   1HB   ASP  72          1HB       ASP  72 -14.440  -0.802   2.977
  589   2HB   ASP  72          2HB       ASP  72 -13.712  -0.586   4.568
  590    H    LEU  73           H        LEU  73 -12.228   0.650   5.546
  591    HA   LEU  73           HA       LEU  73  -9.399   0.151   4.669
  592   1HB   LEU  73          1HB       LEU  73  -9.968   2.198   6.029
  593   2HB   LEU  73          2HB       LEU  73 -10.481   1.125   7.332
  594    HG   LEU  73           HG       LEU  73  -8.020   0.088   6.775
  595   1HD1  LEU  73          3HD1      LEU  73  -8.063   2.954   5.924
  596   2HD1  LEU  73          2HD1      LEU  73  -6.643   2.363   6.786
  597   3HD1  LEU  73          1HD1      LEU  73  -7.134   1.604   5.272
  598   1HD2  LEU  73          1HD2      LEU  73  -9.244   1.248   8.910
  599   2HD2  LEU  73          3HD2      LEU  73  -7.551   0.759   8.910
  600   3HD2  LEU  73          2HD2      LEU  73  -7.984   2.438   8.589
  601    H    THR  74           H        THR  74 -11.245  -2.061   4.667
  602    HA   THR  74           HA       THR  74  -9.974  -3.756   6.753
  603    HB   THR  74           HB       THR  74 -12.557  -4.532   7.066
  604    HG1  THR  74           HG1      THR  74 -13.887  -2.783   6.930
  605   1HG2  THR  74          3HG2      THR  74 -10.944  -3.809   8.828
  606   2HG2  THR  74          2HG2      THR  74 -11.330  -2.129   8.445
  607   3HG2  THR  74          1HG2      THR  74 -12.575  -3.193   9.101
  608    H    GLU  75           H        GLU  75 -11.382  -6.130   6.352
  609    HA   GLU  75           HA       GLU  75 -11.527  -7.938   4.847
  610   1HB   GLU  75          1HB       GLU  75 -12.346  -5.665   2.998
  611   2HB   GLU  75          2HB       GLU  75 -12.666  -7.376   2.720
  612   1HG   GLU  75          1HG       GLU  75 -13.735  -7.204   5.156
  613   2HG   GLU  75          2HG       GLU  75 -13.914  -5.511   4.694
  614    H    LEU  76           H        LEU  76  -8.904  -6.674   5.158
  615    HA   LEU  76           HA       LEU  76  -7.701  -7.454   2.544
  616   1HB   LEU  76          1HB       LEU  76  -8.204  -4.883   2.992
  617   2HB   LEU  76          2HB       LEU  76  -6.746  -4.993   3.979
  618    HG   LEU  76           HG       LEU  76  -5.837  -6.246   1.794
  619   1HD1  LEU  76          1HD1      LEU  76  -8.284  -4.804   0.956
  620   2HD1  LEU  76          3HD1      LEU  76  -6.861  -4.495  -0.041
  621   3HD1  LEU  76          2HD1      LEU  76  -7.445  -6.145   0.177
  622   1HD2  LEU  76          1HD2      LEU  76  -6.067  -3.241   2.149
  623   2HD2  LEU  76          3HD2      LEU  76  -4.814  -4.276   2.831
  624   3HD2  LEU  76          2HD2      LEU  76  -4.911  -4.044   1.085
  625    H    GLU  77           H        GLU  77  -5.486  -8.248   2.820
  626    HA   GLU  77           HA       GLU  77  -4.873  -9.022   5.634
  627   1HB   GLU  77          1HB       GLU  77  -4.884 -10.687   3.772
  628   2HB   GLU  77          2HB       GLU  77  -3.564  -9.803   3.005
  629   1HG   GLU  77          1HG       GLU  77  -2.134 -10.194   4.959
  630   2HG   GLU  77          2HG       GLU  77  -3.455 -11.026   5.779
  631    H    GLY  78           H        GLY  78  -3.795  -7.309   6.697
  632   1HA   GLY  78          2HA       GLY  78  -1.727  -5.809   5.210
  633   2HA   GLY  78          1HA       GLY  78  -1.162  -6.778   6.567
  634    H    TRP  79           H        TRP  79  -4.157  -4.777   6.248
  635    HA   TRP  79           HA       TRP  79  -3.211  -2.572   7.803
  636   1HB   TRP  79          1HB       TRP  79  -5.509  -1.897   7.917
  637   2HB   TRP  79          2HB       TRP  79  -5.327  -2.738   6.384
  638    HD1  TRP  79           HD1      TRP  79  -6.692  -4.935   6.025
  639    HE1  TRP  79           HE1      TRP  79  -8.505  -6.144   7.398
  640    HE3  TRP  79           HE3      TRP  79  -6.283  -2.412  10.446
  641    HZ2  TRP  79           HZ2      TRP  79  -9.641  -6.049  10.015
  642    HZ3  TRP  79           HZ3      TRP  79  -7.749  -2.989  12.360
  643    HH2  TRP  79           HH2      TRP  79  -9.428  -4.802  12.147
  644    H    GLU  80           H        GLU  80  -4.622  -5.677   8.888
  645    HA   GLU  80           HA       GLU  80  -5.069  -5.042  11.630
  646   1HB   GLU  80          1HB       GLU  80  -5.613  -7.188  10.355
  647   2HB   GLU  80          2HB       GLU  80  -3.930  -7.658  10.600
  648   1HG   GLU  80          1HG       GLU  80  -4.351  -7.194  13.100
  649   2HG   GLU  80          2HG       GLU  80  -6.066  -7.205  12.684
  650    H    GLU  81           H        GLU  81  -1.992  -5.832   9.965
  651    HA   GLU  81           HA       GLU  81  -0.494  -5.914  12.512
  652   1HB   GLU  81          1HB       GLU  81   0.119  -6.197   9.583
  653   2HB   GLU  81          2HB       GLU  81   1.445  -5.915  10.711
  654   1HG   GLU  81          1HG       GLU  81   0.155  -7.849  12.063
  655   2HG   GLU  81          2HG       GLU  81  -0.326  -8.292  10.424
  656    H    LEU  82           H        LEU  82  -1.000  -3.565   9.854
  657    HA   LEU  82           HA       LEU  82   1.012  -1.669  10.385
  658   1HB   LEU  82          1HB       LEU  82  -1.507  -1.744   9.005
  659   2HB   LEU  82          2HB       LEU  82  -1.463  -0.258   9.945
  660    HG   LEU  82           HG       LEU  82   1.013  -0.148   8.961
  661   1HD1  LEU  82          3HD1      LEU  82   0.642  -2.372   7.792
  662   2HD1  LEU  82          2HD1      LEU  82  -0.516  -1.543   6.752
  663   3HD1  LEU  82          1HD1      LEU  82   1.179  -1.058   6.745
  664   1HD2  LEU  82          3HD2      LEU  82  -1.636   0.767   7.970
  665   2HD2  LEU  82          2HD2      LEU  82  -0.215   1.712   8.416
  666   3HD2  LEU  82          1HD2      LEU  82  -0.292   0.927   6.839
  667    H    GLU  83           H        GLU  83   0.525   0.631  11.453
  668    HA   GLU  83           HA       GLU  83  -0.405   0.077  14.246
  669   1HB   GLU  83          1HB       GLU  83   1.587   1.840  12.910
  670   2HB   GLU  83          2HB       GLU  83   0.798   2.505  14.341
  671   1HG   GLU  83          1HG       GLU  83   1.938  -0.284  14.378
  672   2HG   GLU  83          2HG       GLU  83   2.973   1.116  14.672
  673    H    ASP  84           H        ASP  84  -1.699   1.832  15.338
  674    HA   ASP  84           HA       ASP  84  -4.004   2.613  13.838
  675   1HB   ASP  84          1HB       ASP  84  -2.788   3.339  16.474
  676   2HB   ASP  84          2HB       ASP  84  -4.093   4.362  15.867
  677    H    ASN  85           H        ASN  85  -1.117   4.563  14.725
  678    HA   ASN  85           HA       ASN  85  -2.008   7.010  13.502
  679   1HB   ASN  85          1HB       ASN  85   0.070   6.402  15.037
  680   2HB   ASN  85          2HB       ASN  85   0.888   6.203  13.487
  681   1HD2  ASN  85          2HD2      ASN  85   0.794   8.464  15.775
  682   2HD2  ASN  85          1HD2      ASN  85   0.704   9.880  14.844
  683    H    GLU  86           H        GLU  86   0.138   4.446  12.173
  684    HA   GLU  86           HA       GLU  86   0.281   5.584   9.519
  685   1HB   GLU  86          1HB       GLU  86   0.558   2.729  10.526
  686   2HB   GLU  86          2HB       GLU  86   0.982   3.242   8.892
  687   1HG   GLU  86          1HG       GLU  86   2.679   4.744   9.727
  688   2HG   GLU  86          2HG       GLU  86   2.164   4.478  11.393
  689    H    LYS  87           H        LYS  87  -1.972   3.242  11.026
  690    HA   LYS  87           HA       LYS  87  -3.460   2.561   8.673
  691   1HB   LYS  87          1HB       LYS  87  -3.623   1.428  10.895
  692   2HB   LYS  87          2HB       LYS  87  -4.442   2.854  11.534
  693   1HG   LYS  87          1HG       LYS  87  -6.223   2.565   9.820
  694   2HG   LYS  87          2HG       LYS  87  -5.423   1.091   9.270
  695   1HD   LYS  87          1HD       LYS  87  -7.036   0.276  10.774
  696   2HD   LYS  87          2HD       LYS  87  -5.579   0.355  11.765
  697   1HE   LYS  87          1HE       LYS  87  -7.112   1.447  13.155
  698   2HE   LYS  87          2HE       LYS  87  -6.459   2.826  12.249
  699   1HZ   LYS  87          2HZ       LYS  87  -8.788   1.232  11.334
  700   2HZ   LYS  87          1HZ       LYS  87  -8.946   2.656  12.246
  701   3HZ   LYS  87          3HZ       LYS  87  -8.235   2.710  10.707
  702    H    GLU  88           H        GLU  88  -3.794   5.316  10.940
  703    HA   GLU  88           HA       GLU  88  -6.240   6.386   9.879
  704   1HB   GLU  88          1HB       GLU  88  -4.668   7.031  11.945
  705   2HB   GLU  88          2HB       GLU  88  -4.039   8.210  10.794
  706   1HG   GLU  88          1HG       GLU  88  -7.004   7.888  11.269
  707   2HG   GLU  88          2HG       GLU  88  -6.017   8.963  12.261
  708    H    GLN  89           H        GLN  89  -2.829   6.868   8.851
  709    HA   GLN  89           HA       GLN  89  -3.307   8.921   6.907
  710   1HB   GLN  89          1HB       GLN  89  -1.108   7.722   7.850
  711   2HB   GLN  89          2HB       GLN  89  -1.285   6.775   6.371
  712   1HG   GLN  89          1HG       GLN  89  -1.652   9.208   5.316
  713   2HG   GLN  89          2HG       GLN  89  -0.666   9.675   6.703
  714   1HE2  GLN  89          1HE2      GLN  89  -0.631   7.829   3.652
  715   2HE2  GLN  89          2HE2      GLN  89   1.048   7.579   3.637
  716    H    ILE  90           H        ILE  90  -3.470   5.355   6.595
  717    HA   ILE  90           HA       ILE  90  -3.956   5.295   3.752
  718    HB   ILE  90           HB       ILE  90  -4.863   3.409   5.966
  719   1HG1  ILE  90          1HG1      ILE  90  -2.602   2.766   4.145
  720   2HG1  ILE  90          2HG1      ILE  90  -2.306   4.048   5.318
  721   1HG2  ILE  90          3HG2      ILE  90  -6.095   3.118   3.803
  722   2HG2  ILE  90          2HG2      ILE  90  -4.546   2.876   2.995
  723   3HG2  ILE  90          1HG2      ILE  90  -5.093   1.727   4.216
  724   1HD1  ILE  90          1HD1      ILE  90  -3.679   1.712   6.461
  725   2HD1  ILE  90          3HD1      ILE  90  -2.070   1.352   5.837
  726   3HD1  ILE  90          2HD1      ILE  90  -2.281   2.601   7.062
  727    H    THR  91           H        THR  91  -6.207   5.585   6.544
  728    HA   THR  91           HA       THR  91  -8.663   5.416   5.086
  729    HB   THR  91           HB       THR  91  -8.271   7.330   7.383
  730    HG1  THR  91           HG1      THR  91  -8.274   4.481   7.564
  731   1HG2  THR  91          2HG2      THR  91 -10.445   5.600   6.286
  732   2HG2  THR  91          1HG2      THR  91 -10.426   5.900   8.024
  733   3HG2  THR  91          3HG2      THR  91 -10.525   7.252   6.895
  734    H    GLN  92           H        GLN  92  -6.520   8.227   5.670
  735    HA   GLN  92           HA       GLN  92  -8.199  10.253   4.531
  736   1HB   GLN  92          1HB       GLN  92  -5.242   9.854   4.904
  737   2HB   GLN  92          2HB       GLN  92  -5.794  11.216   3.926
  738   1HG   GLN  92          1HG       GLN  92  -7.275  11.913   5.819
  739   2HG   GLN  92          2HG       GLN  92  -6.571  10.623   6.797
  740   1HE2  GLN  92          1HE2      GLN  92  -6.334  13.614   7.230
  741   2HE2  GLN  92          2HE2      GLN  92  -4.666  13.928   7.206
  742    H    HIS  93           H        HIS  93  -5.901   7.976   2.965
  743    HA   HIS  93           HA       HIS  93  -6.028   9.062   0.311
  744   1HB   HIS  93          1HB       HIS  93  -5.432   6.390   1.546
  745   2HB   HIS  93          2HB       HIS  93  -5.652   6.462  -0.203
  746    HD1  HIS  93           HD1      HIS  93  -3.742   7.372  -1.568
  747    HD2  HIS  93           HD2      HIS  93  -3.249   8.114   2.498
  748    HE1  HIS  93           HE1      HIS  93  -1.399   8.277  -1.287
  749    H    ILE  94           H        ILE  94  -7.981   6.383   1.761
  750    HA   ILE  94           HA       ILE  94  -9.712   6.076  -0.525
  751    HB   ILE  94           HB       ILE  94 -10.183   5.511   2.428
  752   1HG1  ILE  94          1HG1      ILE  94  -9.607   3.372   0.438
  753   2HG1  ILE  94          2HG1      ILE  94  -8.264   4.435   0.854
  754   1HG2  ILE  94          3HG2      ILE  94 -11.776   4.952  -0.040
  755   2HG2  ILE  94          2HG2      ILE  94 -11.704   3.691   1.191
  756   3HG2  ILE  94          1HG2      ILE  94 -12.331   5.287   1.600
  757   1HD1  ILE  94          1HD1      ILE  94  -8.994   3.997   3.317
  758   2HD1  ILE  94          3HD1      ILE  94  -9.835   2.602   2.643
  759   3HD1  ILE  94          2HD1      ILE  94  -8.087   2.748   2.464
  760    H    ALA  95           H        ALA  95  -9.953   8.163   2.376
  761    HA   ALA  95           HA       ALA  95 -12.593   9.187   1.801
  762   1HB   ALA  95          2HB       ALA  95 -10.351  10.708   3.160
  763   2HB   ALA  95          1HB       ALA  95 -12.082  10.832   3.473
  764   3HB   ALA  95          3HB       ALA  95 -11.199   9.384   3.959
  765    H    ASP  96           H        ASP  96  -9.322  10.271   0.812
  766    HA   ASP  96           HA       ASP  96 -10.312  12.631  -0.613
  767   1HB   ASP  96          1HB       ASP  96  -7.730  11.077  -0.473
  768   2HB   ASP  96          2HB       ASP  96  -7.931  12.321  -1.708
  769    H    LEU  97           H        LEU  97  -9.475   9.268  -1.549
  770    HA   LEU  97           HA       LEU  97  -9.909   9.651  -4.396
  771   1HB   LEU  97          1HB       LEU  97  -8.617   7.777  -3.394
  772   2HB   LEU  97          2HB       LEU  97 -10.102   7.146  -2.682
  773    HG   LEU  97           HG       LEU  97 -11.035   7.105  -5.077
  774   1HD1  LEU  97          1HD1      LEU  97  -9.107   8.570  -5.911
  775   2HD1  LEU  97          3HD1      LEU  97  -8.099   7.128  -5.799
  776   3HD1  LEU  97          2HD1      LEU  97  -9.484   7.152  -6.889
  777   1HD2  LEU  97          2HD2      LEU  97  -9.847   5.203  -3.579
  778   2HD2  LEU  97          1HD2      LEU  97 -10.430   4.888  -5.213
  779   3HD2  LEU  97          3HD2      LEU  97  -8.722   5.230  -4.938
  780    H    SER  98           H        SER  98 -12.103   8.821  -1.682
  781    HA   SER  98           HA       SER  98 -14.342   8.348  -3.591
  782   1HB   SER  98          1HB       SER  98 -14.204   6.835  -1.727
  783   2HB   SER  98          2HB       SER  98 -14.001   8.160  -0.583
  784    HG   SER  98           HG       SER  98 -16.297   7.440  -2.082
  785    H    SER  99           H        SER  99 -13.394  10.685  -1.022
  786    HA   SER  99           HA       SER  99 -15.486  12.543  -2.111
  787   1HB   SER  99          1HB       SER  99 -15.744  11.320   0.222
  788   2HB   SER  99          2HB       SER  99 -14.605  12.552   0.761
  789    HG   SER  99           HG       SER  99 -17.192  12.847  -0.328
  790    H    LYS 100           H        LYS 100 -14.911  14.916  -1.591
  791    HA   LYS 100           HA       LYS 100 -11.965  15.336  -1.276
  792   1HB   LYS 100          1HB       LYS 100 -12.741  15.198  -3.691
  793   2HB   LYS 100          2HB       LYS 100 -13.713  16.638  -3.384
  794   1HG   LYS 100          1HG       LYS 100 -11.656  17.853  -2.693
  795   2HG   LYS 100          2HG       LYS 100 -10.702  16.423  -3.089
  796   1HD   LYS 100          1HD       LYS 100 -11.270  16.570  -5.409
  797   2HD   LYS 100          2HD       LYS 100 -12.520  17.774  -5.094
  798   1HE   LYS 100          1HE       LYS 100  -9.712  18.410  -4.249
  799   2HE   LYS 100          2HE       LYS 100 -10.131  18.540  -5.969
  800   1HZ   LYS 100          1HZ       LYS 100 -11.713  19.735  -3.756
  801   2HZ   LYS 100          3HZ       LYS 100 -10.612  20.597  -4.716
  802   3HZ   LYS 100          2HZ       LYS 100 -12.001  19.917  -5.421
  803    H    ALA 101           H        ALA 101 -11.925  16.602   0.611
  804    HA   ALA 101           HA       ALA 101 -13.894  18.865   0.774
  805   1HB   ALA 101          3HB       ALA 101 -12.557  17.157   2.899
  806   2HB   ALA 101          1HB       ALA 101 -14.266  17.151   2.463
  807   3HB   ALA 101          2HB       ALA 101 -13.564  18.562   3.255
  808    H    ALA 102           H        ALA 102 -12.999  20.852   1.886
  809    HA   ALA 102           HA       ALA 102 -10.011  21.015   1.833
  810   1HB   ALA 102          3HB       ALA 102 -12.068  22.444   0.219
  811   2HB   ALA 102          2HB       ALA 102 -10.707  23.407   0.794
  812   3HB   ALA 102          1HB       ALA 102 -10.421  21.989  -0.215
  813    H    GLY 103           H        GLY 103  -9.159  22.467   3.427
  814   1HA   GLY 103          2HA       GLY 103  -9.874  22.986   5.834
  815   2HA   GLY 103          1HA       GLY 103 -11.191  23.898   5.095
  816    H    THR 104           H        THR 104  -9.206  25.088   6.845
  817    HA   THR 104           HA       THR 104  -7.699  26.805   4.894
  818    HB   THR 104           HB       THR 104  -8.220  28.630   6.594
  819    HG1  THR 104           HG1      THR 104  -8.757  27.403   8.352
  820   1HG2  THR 104          1HG2      THR 104 -10.279  27.196   4.949
  821   2HG2  THR 104          3HG2      THR 104 -10.770  28.570   5.939
  822   3HG2  THR 104          2HG2      THR 104  -9.546  28.778   4.686
  823    HA   PRO 105           HA       PRO 105  -4.208  25.798   7.418
  824   1HB   PRO 105          1HB       PRO 105  -2.576  27.925   6.872
  825   2HB   PRO 105          2HB       PRO 105  -2.865  26.608   5.717
  826   1HG   PRO 105          1HG       PRO 105  -4.049  29.336   5.813
  827   2HG   PRO 105          2HG       PRO 105  -3.550  28.369   4.416
  828   1HD   PRO 105          1HD       PRO 105  -6.146  28.653   5.211
  829   2HD   PRO 105          2HD       PRO 105  -5.534  27.238   4.325
  830    H    LYS 106           H        LYS 106  -5.309  29.236   7.585
  831    HA   LYS 106           HA       LYS 106  -5.043  29.074  10.560
  832   1HB   LYS 106          1HB       LYS 106  -3.763  30.963   8.598
  833   2HB   LYS 106          2HB       LYS 106  -4.136  31.526  10.229
  834   1HG   LYS 106          1HG       LYS 106  -2.719  28.906   9.907
  835   2HG   LYS 106          2HG       LYS 106  -1.798  30.396   9.703
  836   1HD   LYS 106          1HD       LYS 106  -2.659  31.173  11.923
  837   2HD   LYS 106          2HD       LYS 106  -3.427  29.600  12.133
  838   1HE   LYS 106          1HE       LYS 106  -1.406  28.502  12.443
  839   2HE   LYS 106          2HE       LYS 106  -0.506  29.665  11.449
  840   1HZ   LYS 106          2HZ       LYS 106  -1.727  30.243  14.098
  841   2HZ   LYS 106          1HZ       LYS 106  -0.069  30.007  13.815
  842   3HZ   LYS 106          3HZ       LYS 106  -0.860  31.347  13.141
  843    H    LYS 107           H        LYS 107  -6.207  31.085  11.577
  844    HA   LYS 107           HA       LYS 107  -8.622  31.747   9.918
  845   1HB   LYS 107          1HB       LYS 107  -8.148  31.031  12.799
  846   2HB   LYS 107          2HB       LYS 107  -9.547  32.019  12.376
  847   1HG   LYS 107          1HG       LYS 107 -10.384  29.821  12.249
  848   2HG   LYS 107          2HG       LYS 107 -10.003  30.207  10.570
  849   1HD   LYS 107          1HD       LYS 107  -8.224  28.760  10.496
  850   2HD   LYS 107          2HD       LYS 107  -7.809  29.021  12.192
  851   1HE   LYS 107          1HE       LYS 107 -10.418  27.680  11.692
  852   2HE   LYS 107          2HE       LYS 107  -8.962  26.731  11.331
  853   1HZ   LYS 107          2HZ       LYS 107  -8.076  27.322  13.500
  854   2HZ   LYS 107          1HZ       LYS 107  -9.475  28.218  13.855
  855   3HZ   LYS 107          3HZ       LYS 107  -9.572  26.535  13.671
  856    H    LYS 108           H        LYS 108  -6.979  33.045  12.877
  857    HA   LYS 108           HA       LYS 108  -7.298  35.786  11.692
  858   1HB   LYS 108          1HB       LYS 108  -7.572  34.610  14.446
  859   2HB   LYS 108          2HB       LYS 108  -7.156  36.316  14.274
  860   1HG   LYS 108          1HG       LYS 108  -9.153  36.467  12.660
  861   2HG   LYS 108          2HG       LYS 108  -9.634  34.893  13.296
  862   1HD   LYS 108          1HD       LYS 108  -9.849  35.754  15.519
  863   2HD   LYS 108          2HD       LYS 108  -9.052  37.266  15.081
  864   1HE   LYS 108          1HE       LYS 108 -11.488  36.560  13.512
  865   2HE   LYS 108          2HE       LYS 108 -11.737  37.067  15.196
  866   1HZ   LYS 108          1HZ       LYS 108 -10.002  38.517  13.272
  867   2HZ   LYS 108          3HZ       LYS 108 -11.613  38.945  13.586
  868   3HZ   LYS 108          2HZ       LYS 108 -10.456  39.024  14.828
  869    H    ALA 109           H        ALA 109  -5.062  35.155  10.664
  870    HA   ALA 109           HA       ALA 109  -2.870  35.630  12.662
  871   1HB   ALA 109          3HB       ALA 109  -2.981  33.376  11.568
  872   2HB   ALA 109          2HB       ALA 109  -2.801  34.167  10.002
  873   3HB   ALA 109          1HB       ALA 109  -1.496  34.247  11.185
  874    H    VAL 110           H        VAL 110  -0.907  36.772  11.609
  875    HA   VAL 110           HA       VAL 110  -1.881  38.816   9.635
  876    HB   VAL 110           HB       VAL 110   0.273  38.937  11.778
  877   1HG1  VAL 110          3HG1      VAL 110  -0.847  41.073   9.936
  878   2HG1  VAL 110          2HG1      VAL 110   0.275  41.370  11.264
  879   3HG1  VAL 110          1HG1      VAL 110   0.783  40.404   9.878
  880   1HG2  VAL 110          3HG2      VAL 110  -2.508  40.145  11.631
  881   2HG2  VAL 110          2HG2      VAL 110  -1.985  38.870  12.730
  882   3HG2  VAL 110          1HG2      VAL 110  -1.323  40.497  12.888
  883    H    VAL 111           H        VAL 111  -0.762  38.924   7.667
  884    HA   VAL 111           HA       VAL 111   1.926  37.615   7.520
  885    HB   VAL 111           HB       VAL 111   0.170  36.055   6.766
  886   1HG1  VAL 111          3HG1      VAL 111  -0.564  38.327   4.898
  887   2HG1  VAL 111          2HG1      VAL 111  -1.151  36.675   4.711
  888   3HG1  VAL 111          1HG1      VAL 111  -1.580  37.605   6.147
  889   1HG2  VAL 111          2HG2      VAL 111   1.776  37.258   4.489
  890   2HG2  VAL 111          1HG2      VAL 111   2.324  35.998   5.593
  891   3HG2  VAL 111          3HG2      VAL 111   1.014  35.668   4.459
  892    H    GLN 112           H        GLN 112   3.392  38.701   6.097
  893    HA   GLN 112           HA       GLN 112   2.314  41.181   4.788
  894   1HB   GLN 112          1HB       GLN 112   4.766  40.515   6.384
  895   2HB   GLN 112          2HB       GLN 112   4.874  41.784   5.164
  896   1HG   GLN 112          1HG       GLN 112   2.879  42.884   6.204
  897   2HG   GLN 112          2HG       GLN 112   2.926  41.672   7.484
  898   1HE2  GLN 112          1HE2      GLN 112   4.302  44.696   6.426
  899   2HE2  GLN 112          2HE2      GLN 112   5.487  44.808   7.637
  900    H    ALA 113           H        ALA 113   2.542  41.191   2.545
  901    HA   ALA 113           HA       ALA 113   4.557  39.310   1.352
  902   1HB   ALA 113          2HB       ALA 113   1.722  40.008   0.806
  903   2HB   ALA 113          3HB       ALA 113   2.570  38.481   0.556
  904   3HB   ALA 113          1HB       ALA 113   2.742  39.788  -0.616
  905    H    LYS 114           H        LYS 114   6.321  40.755   0.974
  906    HA   LYS 114           HA       LYS 114   5.678  43.233  -0.595
  907   1HB   LYS 114          1HB       LYS 114   6.604  43.524   1.707
  908   2HB   LYS 114          2HB       LYS 114   8.027  42.600   1.222
  909   1HG   LYS 114          1HG       LYS 114   8.320  44.302  -0.662
  910   2HG   LYS 114          2HG       LYS 114   7.113  45.283   0.169
  911   1HD   LYS 114          1HD       LYS 114   8.542  45.126   2.247
  912   2HD   LYS 114          2HD       LYS 114   9.789  44.367   1.256
  913   1HE   LYS 114          1HE       LYS 114   9.717  46.391  -0.257
  914   2HE   LYS 114          2HE       LYS 114   8.649  47.162   0.932
  915   1HZ   LYS 114          3HZ       LYS 114  10.344  46.599   2.643
  916   2HZ   LYS 114          2HZ       LYS 114  11.391  46.117   1.394
  917   3HZ   LYS 114          1HZ       LYS 114  10.878  47.734   1.501
  918    H    LEU 115           H        LEU 115   6.720  43.455  -2.614
  919    HA   LEU 115           HA       LEU 115   8.725  41.334  -3.324
  920   1HB   LEU 115          1HB       LEU 115   6.234  41.661  -4.336
  921   2HB   LEU 115          2HB       LEU 115   7.130  42.734  -5.411
  922    HG   LEU 115           HG       LEU 115   8.808  40.676  -5.507
  923   1HD1  LEU 115          2HD1      LEU 115   7.459  39.389  -3.829
  924   2HD1  LEU 115          1HD1      LEU 115   6.135  39.340  -4.994
  925   3HD1  LEU 115          3HD1      LEU 115   7.662  38.539  -5.361
  926   1HD2  LEU 115          2HD2      LEU 115   7.538  41.699  -7.404
  927   2HD2  LEU 115          1HD2      LEU 115   7.671  39.946  -7.543
  928   3HD2  LEU 115          3HD2      LEU 115   6.162  40.675  -6.993
  929    H    THR 116           H        THR 116  10.505  42.049  -4.730
  930    HA   THR 116           HA       THR 116  10.920  45.023  -4.683
  931    HB   THR 116           HB       THR 116  13.141  43.032  -4.963
  932    HG1  THR 116           HG1      THR 116  13.091  42.580  -2.812
  933   1HG2  THR 116          3HG2      THR 116  12.702  45.767  -3.817
  934   2HG2  THR 116          2HG2      THR 116  14.043  44.789  -3.221
  935   3HG2  THR 116          1HG2      THR 116  13.951  45.212  -4.931
  936    H    THR 117           H        THR 117  11.325  46.031  -6.685
  937    HA   THR 117           HA       THR 117  11.889  44.252  -9.031
  938    HB   THR 117           HB       THR 117   9.496  44.812  -8.934
  939    HG1  THR 117           HG1      THR 117  10.233  44.771 -10.985
  940   1HG2  THR 117          3HG2      THR 117  10.546  47.636  -8.701
  941   2HG2  THR 117          2HG2      THR 117   8.896  47.285  -9.215
  942   3HG2  THR 117          1HG2      THR 117   9.444  46.793  -7.613

  No H/Q in entry =         942
  Start of MODEL   15
    1    H1   MET   1           H        MET   1 -19.983 -10.563  -2.659
    2    H2   MET   1           HN2      MET   1 -18.827 -11.291  -1.649
    3    HA   MET   1           HA       MET   1 -18.219  -9.410  -3.878
    4   1HB   MET   1          1HB       MET   1 -19.409  -8.836  -1.528
    5   2HB   MET   1          2HB       MET   1 -17.729  -8.854  -0.988
    6   1HG   MET   1          1HG       MET   1 -17.117  -7.095  -2.417
    7   2HG   MET   1          2HG       MET   1 -18.507  -7.343  -3.473
    8   1HE   MET   1          1HE       MET   1 -19.267  -5.300  -3.744
    9   2HE   MET   1          3HE       MET   1 -19.993  -4.178  -2.586
   10   3HE   MET   1          2HE       MET   1 -18.242  -4.268  -2.750
   11    H    ALA   2           H        ALA   2 -16.615 -11.221  -4.506
   12    HA   ALA   2           HA       ALA   2 -14.123 -10.912  -2.891
   13   1HB   ALA   2          2HB       ALA   2 -15.449 -12.966  -2.232
   14   2HB   ALA   2          3HB       ALA   2 -13.827 -13.317  -2.831
   15   3HB   ALA   2          1HB       ALA   2 -15.227 -13.560  -3.877
   16    H    GLU   3           H        GLU   3 -13.258  -9.631  -4.691
   17    HA   GLU   3           HA       GLU   3 -12.732 -11.249  -7.166
   18   1HB   GLU   3          1HB       GLU   3 -14.432  -9.246  -7.149
   19   2HB   GLU   3          2HB       GLU   3 -12.977  -8.248  -7.122
   20   1HG   GLU   3          1HG       GLU   3 -12.156  -9.546  -9.129
   21   2HG   GLU   3          2HG       GLU   3 -13.748 -10.301  -9.211
   22    H    GLN   4           H        GLN   4 -10.522 -11.505  -7.534
   23    HA   GLN   4           HA       GLN   4  -8.202 -11.156  -7.387
   24   1HB   GLN   4          1HB       GLN   4  -9.509  -8.514  -7.611
   25   2HB   GLN   4          2HB       GLN   4  -7.878  -8.456  -6.946
   26   1HG   GLN   4          1HG       GLN   4  -7.353  -8.392  -9.189
   27   2HG   GLN   4          2HG       GLN   4  -7.402 -10.141  -8.967
   28   1HE2  GLN   4          1HE2      GLN   4  -8.723  -7.586 -10.841
   29   2HE2  GLN   4          2HE2      GLN   4 -10.042  -8.439 -11.484
   30    H    ARG   5           H        ARG   5  -6.427 -10.495  -5.805
   31    HA   ARG   5           HA       ARG   5  -7.510 -10.276  -3.012
   32   1HB   ARG   5          1HB       ARG   5  -5.345 -11.970  -4.267
   33   2HB   ARG   5          2HB       ARG   5  -5.388 -11.683  -2.526
   34   1HG   ARG   5          1HG       ARG   5  -6.689 -13.581  -2.594
   35   2HG   ARG   5          2HG       ARG   5  -7.953 -12.383  -2.875
   36   1HD   ARG   5          1HD       ARG   5  -8.159 -12.927  -5.118
   37   2HD   ARG   5          2HD       ARG   5  -6.461 -13.423  -5.258
   38    HE   ARG   5           HE       ARG   5  -7.052 -15.567  -4.412
   39   1HH1  ARG   5          1HH1      ARG   5  -9.632 -15.243  -5.857
   40   2HH1  ARG   5          2HH1      ARG   5 -10.799 -15.542  -4.612
   41   1HH2  ARG   5          1HH2      ARG   5  -8.538 -15.103  -2.019
   42   2HH2  ARG   5          2HH2      ARG   5 -10.180 -15.461  -2.439
   43    H    PHE   6           H        PHE   6  -6.661  -8.530  -1.859
   44    HA   PHE   6           HA       PHE   6  -4.128  -7.289  -2.899
   45   1HB   PHE   6          1HB       PHE   6  -6.834  -6.265  -2.329
   46   2HB   PHE   6          2HB       PHE   6  -5.552  -5.300  -1.601
   47    HD1  PHE   6           HD1      PHE   6  -3.539  -4.672  -3.151
   48    HD2  PHE   6           HD2      PHE   6  -7.376  -5.965  -4.583
   49    HE1  PHE   6           HE1      PHE   6  -3.060  -3.645  -5.352
   50    HE2  PHE   6           HE2      PHE   6  -6.897  -4.939  -6.788
   51    HZ   PHE   6           HZ       PHE   6  -4.739  -3.778  -7.174
   52    H    CYS   7           H        CYS   7  -2.539  -6.893  -1.310
   53    HA   CYS   7           HA       CYS   7  -3.337  -7.313   1.556
   54   1HB   CYS   7          1HB       CYS   7  -2.083  -9.200   0.396
   55   2HB   CYS   7          2HB       CYS   7  -0.724  -8.089   0.227
   56    HG   CYS   7           HG       CYS   7  -0.666  -9.574   2.518
   57    H    VAL   8           H        VAL   8  -2.248  -5.870   3.074
   58    HA   VAL   8           HA       VAL   8  -0.681  -3.685   1.728
   59    HB   VAL   8           HB       VAL   8  -1.598  -2.198   3.467
   60   1HG1  VAL   8          1HG1      VAL   8  -3.518  -3.878   1.864
   61   2HG1  VAL   8          3HG1      VAL   8  -4.080  -2.519   2.837
   62   3HG1  VAL   8          2HG1      VAL   8  -2.932  -2.249   1.526
   63   1HG2  VAL   8          2HG2      VAL   8  -1.805  -4.067   5.195
   64   2HG2  VAL   8          1HG2      VAL   8  -3.151  -2.936   5.122
   65   3HG2  VAL   8          3HG2      VAL   8  -3.299  -4.528   4.381
   66    H    ASP   9           H        ASP   9   1.332  -3.120   2.613
   67    HA   ASP   9           HA       ASP   9   2.129  -4.281   5.243
   68   1HB   ASP   9          1HB       ASP   9   2.566  -5.828   3.214
   69   2HB   ASP   9          2HB       ASP   9   3.800  -4.653   2.754
   70    H    TYR  10           H        TYR  10   4.224  -3.331   6.002
   71    HA   TYR  10           HA       TYR  10   4.627  -0.580   4.866
   72   1HB   TYR  10          1HB       TYR  10   4.400  -1.769   7.544
   73   2HB   TYR  10          2HB       TYR  10   5.794  -0.700   7.389
   74    HD1  TYR  10           HD1      TYR  10   5.122   1.469   5.780
   75    HD2  TYR  10           HD2      TYR  10   2.511  -0.709   8.409
   76    HE1  TYR  10           HE1      TYR  10   3.635   3.446   5.942
   77    HE2  TYR  10           HE2      TYR  10   1.026   1.269   8.571
   78    HH   TYR  10           HH       TYR  10   0.701   3.480   6.714
   79    H    ALA  11           H        ALA  11   6.762   0.056   4.265
   80    HA   ALA  11           HA       ALA  11   8.663  -2.034   3.644
   81   1HB   ALA  11          1HB       ALA  11   8.764   0.982   3.784
   82   2HB   ALA  11          3HB       ALA  11  10.219   0.055   3.414
   83   3HB   ALA  11          2HB       ALA  11   8.811  -0.056   2.357
   84    H    LYS  12           H        LYS  12  10.319  -2.940   4.902
   85    HA   LYS  12           HA       LYS  12  11.076  -1.539   7.433
   86   1HB   LYS  12          1HB       LYS  12   9.862  -4.256   7.016
   87   2HB   LYS  12          2HB       LYS  12  10.962  -4.003   8.372
   88   1HG   LYS  12          1HG       LYS  12   8.697  -2.084   7.873
   89   2HG   LYS  12          2HG       LYS  12   8.416  -3.589   8.748
   90   1HD   LYS  12          1HD       LYS  12  10.515  -2.856  10.141
   91   2HD   LYS  12          2HD       LYS  12  10.133  -1.249   9.521
   92   1HE   LYS  12          1HE       LYS  12   8.868  -1.298  11.500
   93   2HE   LYS  12          2HE       LYS  12   7.677  -1.874  10.317
   94   1HZ   LYS  12          2HZ       LYS  12   8.434  -4.153  10.775
   95   2HZ   LYS  12          1HZ       LYS  12   9.456  -3.562  11.997
   96   3HZ   LYS  12          3HZ       LYS  12   7.773  -3.412  12.153
   97    H    ARG  13           H        ARG  13  11.797  -4.711   5.836
   98    HA   ARG  13           HA       ARG  13  14.699  -3.940   5.924
   99   1HB   ARG  13          1HB       ARG  13  13.326  -6.625   6.291
  100   2HB   ARG  13          2HB       ARG  13  15.073  -6.377   6.302
  101   1HG   ARG  13          1HG       ARG  13  15.032  -5.221   8.330
  102   2HG   ARG  13          2HG       ARG  13  13.342  -4.754   8.144
  103   1HD   ARG  13          1HD       ARG  13  12.975  -6.468   9.628
  104   2HD   ARG  13          2HD       ARG  13  13.137  -7.496   8.191
  105    HE   ARG  13           HE       ARG  13  15.554  -7.730   8.751
  106   1HH1  ARG  13          1HH1      ARG  13  13.585  -8.495  11.107
  107   2HH1  ARG  13          2HH1      ARG  13  14.534  -7.944  12.446
  108   1HH2  ARG  13          1HH2      ARG  13  16.725  -6.110  10.481
  109   2HH2  ARG  13          2HH2      ARG  13  16.312  -6.593  12.092
  110    H    GLY  14           H        GLY  14  14.474  -3.133   3.646
  111   1HA   GLY  14          2HA       GLY  14  14.073  -5.348   1.673
  112   2HA   GLY  14          1HA       GLY  14  15.420  -4.219   1.532
  113    H    THR  15           H        THR  15  14.477  -3.650  -0.634
  114    HA   THR  15           HA       THR  15  12.016  -1.948  -0.420
  115    HB   THR  15           HB       THR  15  14.041  -0.556  -0.321
  116    HG1  THR  15           HG1      THR  15  13.482   0.770  -1.976
  117   1HG2  THR  15          1HG2      THR  15  14.931  -2.437  -2.381
  118   2HG2  THR  15          3HG2      THR  15  15.212  -0.755  -2.830
  119   3HG2  THR  15          2HG2      THR  15  15.882  -1.391  -1.329
  120    H    ALA  16           H        ALA  16  10.729  -1.894  -2.376
  121    HA   ALA  16           HA       ALA  16  11.601  -3.826  -4.501
  122   1HB   ALA  16          1HB       ALA  16   8.716  -3.423  -3.870
  123   2HB   ALA  16          3HB       ALA  16   9.566  -4.898  -4.330
  124   3HB   ALA  16          2HB       ALA  16   9.677  -4.295  -2.676
  125    H    GLY  17           H        GLY  17  11.097  -3.209  -6.671
  126   1HA   GLY  17          2HA       GLY  17  10.770  -1.638  -8.382
  127   2HA   GLY  17          1HA       GLY  17  10.749  -0.380  -7.146
  128    H    CYS  18           H        CYS  18   8.806   0.689  -7.023
  129    HA   CYS  18           HA       CYS  18   6.258  -0.659  -6.786
  130   1HB   CYS  18          1HB       CYS  18   6.638   1.561  -5.889
  131   2HB   CYS  18          2HB       CYS  18   7.090   2.183  -7.469
  132    H    LYS  19           H        LYS  19   5.071  -1.645  -8.427
  133    HA   LYS  19           HA       LYS  19   5.839  -1.557 -11.209
  134   1HB   LYS  19          1HB       LYS  19   3.478  -2.502  -9.620
  135   2HB   LYS  19          2HB       LYS  19   3.269  -2.341 -11.363
  136   1HG   LYS  19          1HG       LYS  19   5.762  -3.686 -10.464
  137   2HG   LYS  19          2HG       LYS  19   4.262  -4.576 -10.209
  138   1HD   LYS  19          1HD       LYS  19   3.864  -4.827 -12.454
  139   2HD   LYS  19          2HD       LYS  19   4.596  -3.275 -12.862
  140   1HE   LYS  19          1HE       LYS  19   6.487  -5.277 -11.766
  141   2HE   LYS  19          2HE       LYS  19   5.808  -5.670 -13.358
  142   1HZ   LYS  19          2HZ       LYS  19   6.349  -3.432 -14.102
  143   2HZ   LYS  19          1HZ       LYS  19   7.030  -3.072 -12.588
  144   3HZ   LYS  19          3HZ       LYS  19   7.750  -4.241 -13.583
  145    H    LYS  20           H        LYS  20   4.914  -0.291 -12.986
  146    HA   LYS  20           HA       LYS  20   4.040   1.709 -13.922
  147   1HB   LYS  20          1HB       LYS  20   2.068   0.879 -11.778
  148   2HB   LYS  20          2HB       LYS  20   1.785   2.326 -12.750
  149   1HG   LYS  20          1HG       LYS  20   2.476  -0.266 -14.108
  150   2HG   LYS  20          2HG       LYS  20   0.823   0.026 -13.569
  151   1HD   LYS  20          1HD       LYS  20   0.845   2.189 -14.831
  152   2HD   LYS  20          2HD       LYS  20   2.436   1.760 -15.459
  153   1HE   LYS  20          1HE       LYS  20   1.515  -0.245 -16.531
  154   2HE   LYS  20          2HE       LYS  20  -0.084   0.103 -15.842
  155   1HZ   LYS  20          2HZ       LYS  20   1.450   1.968 -17.574
  156   2HZ   LYS  20          1HZ       LYS  20   0.178   0.982 -18.119
  157   3HZ   LYS  20          3HZ       LYS  20  -0.125   2.202 -16.980
  158    H    CYS  21           H        CYS  21   6.178   2.510 -12.630
  159    HA   CYS  21           HA       CYS  21   5.500   5.025 -11.300
  160   1HB   CYS  21          1HB       CYS  21   4.979   3.247  -9.610
  161   2HB   CYS  21          2HB       CYS  21   6.669   2.761  -9.660
  162    H    LYS  22           H        LYS  22   8.133   2.530 -11.588
  163    HA   LYS  22           HA       LYS  22  10.404   2.792 -12.157
  164   1HB   LYS  22          1HB       LYS  22   9.116   4.725 -13.623
  165   2HB   LYS  22          2HB       LYS  22  10.190   5.716 -12.637
  166   1HG   LYS  22          1HG       LYS  22  12.133   4.569 -13.428
  167   2HG   LYS  22          2HG       LYS  22  11.161   3.292 -14.164
  168   1HD   LYS  22          1HD       LYS  22  10.903   6.177 -15.020
  169   2HD   LYS  22          2HD       LYS  22  12.091   5.096 -15.747
  170   1HE   LYS  22          1HE       LYS  22  10.477   3.812 -16.804
  171   2HE   LYS  22          2HE       LYS  22   9.259   4.132 -15.553
  172   1HZ   LYS  22          2HZ       LYS  22  10.324   6.156 -17.452
  173   2HZ   LYS  22          1HZ       LYS  22   8.818   5.385 -17.604
  174   3HZ   LYS  22          3HZ       LYS  22   9.114   6.411 -16.287
  175    H    GLU  23           H        GLU  23   9.525   2.910  -9.489
  176    HA   GLU  23           HA       GLU  23  11.558   4.722  -8.277
  177   1HB   GLU  23          1HB       GLU  23   8.972   5.455  -8.440
  178   2HB   GLU  23          2HB       GLU  23   8.884   4.481  -6.975
  179   1HG   GLU  23          1HG       GLU  23   9.595   6.328  -5.878
  180   2HG   GLU  23          2HG       GLU  23  11.177   6.005  -6.585
  181    H    LYS  24           H        LYS  24  11.128   4.080  -5.593
  182    HA   LYS  24           HA       LYS  24  11.033   1.093  -5.461
  183   1HB   LYS  24          1HB       LYS  24  13.241   2.969  -4.561
  184   2HB   LYS  24          2HB       LYS  24  13.143   1.279  -4.066
  185   1HG   LYS  24          1HG       LYS  24  13.154   0.607  -6.464
  186   2HG   LYS  24          2HG       LYS  24  13.357   2.300  -6.913
  187   1HD   LYS  24          1HD       LYS  24  15.258   0.911  -5.021
  188   2HD   LYS  24          2HD       LYS  24  15.500   0.896  -6.769
  189   1HE   LYS  24          1HE       LYS  24  15.776   3.256  -6.865
  190   2HE   LYS  24          2HE       LYS  24  15.091   3.480  -5.244
  191   1HZ   LYS  24          3HZ       LYS  24  17.561   1.935  -5.829
  192   2HZ   LYS  24          2HZ       LYS  24  17.545   3.533  -5.252
  193   3HZ   LYS  24          1HZ       LYS  24  16.921   2.275  -4.295
  194    H    ILE  25           H        ILE  25  10.685   0.312  -3.232
  195    HA   ILE  25           HA       ILE  25   9.253   2.352  -1.572
  196    HB   ILE  25           HB       ILE  25   9.206  -0.684  -1.406
  197   1HG1  ILE  25          1HG1      ILE  25   7.225   1.157  -2.791
  198   2HG1  ILE  25          2HG1      ILE  25   8.435   0.196  -3.640
  199   1HG2  ILE  25          1HG2      ILE  25   8.426   0.908   0.520
  200   2HG2  ILE  25          3HG2      ILE  25   7.047   1.216  -0.536
  201   3HG2  ILE  25          2HG2      ILE  25   7.376  -0.422   0.031
  202   1HD1  ILE  25          3HD1      ILE  25   6.472  -1.065  -1.723
  203   2HD1  ILE  25          2HD1      ILE  25   6.082  -0.826  -3.426
  204   3HD1  ILE  25          1HD1      ILE  25   7.442  -1.852  -2.968
  205    H    VAL  26           H        VAL  26  10.450   3.164   0.141
  206    HA   VAL  26           HA       VAL  26  12.627   1.438   1.282
  207    HB   VAL  26           HB       VAL  26  12.135   4.436   1.396
  208   1HG1  VAL  26          3HG1      VAL  26  14.345   2.652   2.423
  209   2HG1  VAL  26          2HG1      VAL  26  14.623   4.360   2.085
  210   3HG1  VAL  26          1HG1      VAL  26  13.436   3.884   3.299
  211   1HG2  VAL  26          2HG2      VAL  26  13.967   2.717  -0.301
  212   2HG2  VAL  26          1HG2      VAL  26  12.691   3.796  -0.864
  213   3HG2  VAL  26          3HG2      VAL  26  14.155   4.463  -0.138
  214    H    LYS  27           H        LYS  27  12.912   1.507   3.659
  215    HA   LYS  27           HA       LYS  27  10.653   0.857   5.193
  216   1HB   LYS  27          1HB       LYS  27  13.070   0.594   5.830
  217   2HB   LYS  27          2HB       LYS  27  13.114   2.317   6.205
  218   1HG   LYS  27          1HG       LYS  27  11.569   2.082   7.990
  219   2HG   LYS  27          2HG       LYS  27  11.076   0.473   7.457
  220   1HD   LYS  27          1HD       LYS  27  12.534   0.140   9.330
  221   2HD   LYS  27          2HD       LYS  27  13.470  -0.273   7.893
  222   1HE   LYS  27          1HE       LYS  27  14.353   2.119   7.912
  223   2HE   LYS  27          2HE       LYS  27  13.621   2.281   9.521
  224   1HZ   LYS  27          1HZ       LYS  27  15.450   0.073   8.746
  225   2HZ   LYS  27          3HZ       LYS  27  15.960   1.471   9.561
  226   3HZ   LYS  27          2HZ       LYS  27  14.856   0.413  10.301
  227    H    GLY  28           H        GLY  28   8.847   2.052   5.777
  228   1HA   GLY  28          2HA       GLY  28   9.199   5.010   6.032
  229   2HA   GLY  28          1HA       GLY  28   8.249   4.092   7.196
  230    H    VAL  29           H        VAL  29   8.085   3.260   3.739
  231    HA   VAL  29           HA       VAL  29   5.487   4.722   3.554
  232    HB   VAL  29           HB       VAL  29   5.805   4.603   1.154
  233   1HG1  VAL  29          3HG1      VAL  29   8.424   5.186   2.554
  234   2HG1  VAL  29          2HG1      VAL  29   8.014   5.706   0.918
  235   3HG1  VAL  29          1HG1      VAL  29   7.105   6.327   2.296
  236   1HG2  VAL  29          3HG2      VAL  29   6.727   2.244   1.140
  237   2HG2  VAL  29          2HG2      VAL  29   7.580   3.363   0.080
  238   3HG2  VAL  29          1HG2      VAL  29   8.282   2.914   1.634
  239    H    CYS  30           H        CYS  30   3.543   3.591   3.279
  240    HA   CYS  30           HA       CYS  30   3.616   0.681   3.752
  241   1HB   CYS  30          1HB       CYS  30   1.899   2.625   4.479
  242   2HB   CYS  30          2HB       CYS  30   1.103   2.108   2.995
  243    HG   CYS  30           HG       CYS  30   1.515   0.326   5.511
  244    H    ARG  31           H        ARG  31   3.360  -0.922   2.170
  245    HA   ARG  31           HA       ARG  31   2.735   0.034  -0.605
  246   1HB   ARG  31          1HB       ARG  31   4.335  -1.697  -1.365
  247   2HB   ARG  31          2HB       ARG  31   5.109  -0.562  -0.263
  248   1HG   ARG  31          1HG       ARG  31   5.055  -2.113   1.543
  249   2HG   ARG  31          2HG       ARG  31   3.914  -3.165   0.705
  250   1HD   ARG  31          1HD       ARG  31   5.629  -3.707  -0.983
  251   2HD   ARG  31          2HD       ARG  31   6.781  -2.637  -0.160
  252    HE   ARG  31           HE       ARG  31   5.578  -5.064   1.121
  253   1HH1  ARG  31          1HH1      ARG  31   8.473  -4.255  -0.087
  254   2HH1  ARG  31          2HH1      ARG  31   9.365  -4.293   1.397
  255   1HH2  ARG  31          1HH2      ARG  31   6.538  -4.448   3.399
  256   2HH2  ARG  31          2HH2      ARG  31   8.270  -4.403   3.371
  257    H    ILE  32           H        ILE  32   1.390  -1.378  -1.899
  258    HA   ILE  32           HA       ILE  32  -0.084  -3.415  -0.271
  259    HB   ILE  32           HB       ILE  32  -0.985  -2.201  -2.897
  260   1HG1  ILE  32          1HG1      ILE  32  -1.568  -1.089  -0.121
  261   2HG1  ILE  32          2HG1      ILE  32  -0.442  -0.351  -1.259
  262   1HG2  ILE  32          2HG2      ILE  32  -2.102  -4.221  -1.850
  263   2HG2  ILE  32          1HG2      ILE  32  -2.564  -3.176  -0.508
  264   3HG2  ILE  32          3HG2      ILE  32  -3.165  -2.841  -2.132
  265   1HD1  ILE  32          3HD1      ILE  32  -3.276  -0.948  -2.082
  266   2HD1  ILE  32          2HD1      ILE  32  -2.887   0.532  -1.205
  267   3HD1  ILE  32          1HD1      ILE  32  -2.146   0.217  -2.774
  268    H    GLY  33           H        GLY  33  -0.216  -5.565  -1.016
  269   1HA   GLY  33          2HA       GLY  33   1.094  -7.312  -2.143
  270   2HA   GLY  33          1HA       GLY  33   1.349  -6.190  -3.481
  271    H    LYS  34           H        LYS  34   0.103  -6.769  -5.255
  272    HA   LYS  34           HA       LYS  34  -2.724  -7.623  -4.737
  273   1HB   LYS  34          1HB       LYS  34  -2.183  -5.580  -6.128
  274   2HB   LYS  34          2HB       LYS  34  -1.412  -6.652  -7.297
  275   1HG   LYS  34          1HG       LYS  34  -3.593  -7.929  -7.424
  276   2HG   LYS  34          2HG       LYS  34  -4.323  -6.644  -6.461
  277   1HD   LYS  34          1HD       LYS  34  -3.490  -5.002  -8.204
  278   2HD   LYS  34          2HD       LYS  34  -3.061  -6.394  -9.201
  279   1HE   LYS  34          1HE       LYS  34  -5.583  -7.105  -8.654
  280   2HE   LYS  34          2HE       LYS  34  -5.769  -5.348  -8.481
  281   1HZ   LYS  34          2HZ       LYS  34  -4.371  -6.617 -10.771
  282   2HZ   LYS  34          1HZ       LYS  34  -6.019  -6.203 -10.810
  283   3HZ   LYS  34          3HZ       LYS  34  -4.846  -4.994 -10.618
  284    H    VAL  35           H        VAL  35  -3.086  -9.836  -4.939
  285    HA   VAL  35           HA       VAL  35  -1.165 -11.417  -6.610
  286    HB   VAL  35           HB       VAL  35  -3.208 -12.251  -4.518
  287   1HG1  VAL  35          1HG1      VAL  35  -1.021 -13.787  -5.950
  288   2HG1  VAL  35          3HG1      VAL  35  -1.924 -14.400  -4.564
  289   3HG1  VAL  35          2HG1      VAL  35  -2.757 -14.062  -6.080
  290   1HG2  VAL  35          3HG2      VAL  35  -1.336 -10.895  -3.610
  291   2HG2  VAL  35          2HG2      VAL  35  -1.250 -12.569  -3.062
  292   3HG2  VAL  35          1HG2      VAL  35  -0.186 -12.008  -4.352
  293    H    VAL  36           H        VAL  36  -1.958 -11.508  -8.736
  294    HA   VAL  36           HA       VAL  36  -4.849 -12.252  -9.059
  295    HB   VAL  36           HB       VAL  36  -3.020 -10.591 -10.830
  296   1HG1  VAL  36          1HG1      VAL  36  -5.959 -11.302 -11.079
  297   2HG1  VAL  36          3HG1      VAL  36  -5.122 -10.122 -12.089
  298   3HG1  VAL  36          2HG1      VAL  36  -4.663 -11.823 -12.156
  299   1HG2  VAL  36          1HG2      VAL  36  -3.800  -9.525  -8.673
  300   2HG2  VAL  36          3HG2      VAL  36  -4.354  -8.697 -10.129
  301   3HG2  VAL  36          2HG2      VAL  36  -5.457  -9.743  -9.235
  302    HA   PRO  37           HA       PRO  37  -3.035 -15.824 -11.015
  303   1HB   PRO  37          1HB       PRO  37  -5.276 -16.842 -12.209
  304   2HB   PRO  37          2HB       PRO  37  -4.964 -16.983 -10.468
  305   1HG   PRO  37          1HG       PRO  37  -6.757 -15.114 -11.924
  306   2HG   PRO  37          2HG       PRO  37  -6.985 -15.910 -10.361
  307   1HD   PRO  37          1HD       PRO  37  -6.232 -13.293 -10.653
  308   2HD   PRO  37          2HD       PRO  37  -5.861 -14.283  -9.225
  309    H    ASN  38           H        ASN  38  -1.944 -15.947 -13.002
  310    HA   ASN  38           HA       ASN  38  -2.959 -14.209 -15.223
  311   1HB   ASN  38          1HB       ASN  38  -0.300 -15.253 -14.305
  312   2HB   ASN  38          2HB       ASN  38  -0.498 -14.843 -16.009
  313   1HD2  ASN  38          2HD2      ASN  38  -0.388 -13.473 -12.726
  314   2HD2  ASN  38          1HD2      ASN  38  -0.364 -11.852 -13.228
  315    HA   PRO  39           HA       PRO  39  -3.982 -17.781 -17.601
  316   1HB   PRO  39          1HB       PRO  39  -3.560 -16.874 -20.149
  317   2HB   PRO  39          2HB       PRO  39  -4.945 -16.367 -19.161
  318   1HG   PRO  39          1HG       PRO  39  -2.398 -14.936 -19.723
  319   2HG   PRO  39          2HG       PRO  39  -4.045 -14.301 -19.589
  320   1HD   PRO  39          1HD       PRO  39  -2.185 -14.101 -17.603
  321   2HD   PRO  39          2HD       PRO  39  -3.937 -14.140 -17.310
  322    H    PHE  40           H        PHE  40  -0.916 -16.132 -18.539
  323    HA   PHE  40           HA       PHE  40   0.233 -18.833 -19.176
  324   1HB   PHE  40          1HB       PHE  40  -0.022 -16.935 -20.931
  325   2HB   PHE  40          2HB       PHE  40   1.299 -16.150 -20.065
  326    HD1  PHE  40           HD1      PHE  40   0.428 -18.616 -22.517
  327    HD2  PHE  40           HD2      PHE  40   3.448 -17.527 -19.664
  328    HE1  PHE  40           HE1      PHE  40   2.062 -20.062 -23.696
  329    HE2  PHE  40           HE2      PHE  40   5.082 -18.973 -20.841
  330    HZ   PHE  40           HZ       PHE  40   4.390 -20.241 -22.858
  331    H    SER  41           H        SER  41   1.326 -19.475 -17.279
  332    HA   SER  41           HA       SER  41   3.215 -17.470 -16.087
  333   1HB   SER  41          1HB       SER  41   0.934 -18.386 -14.931
  334   2HB   SER  41          2HB       SER  41   2.066 -19.624 -14.394
  335    HG   SER  41           HG       SER  41   2.109 -16.834 -13.957
  336    H    GLU  42           H        GLU  42   5.187 -18.461 -15.143
  337    HA   GLU  42           HA       GLU  42   5.936 -20.983 -16.556
  338   1HB   GLU  42          1HB       GLU  42   7.214 -18.598 -16.222
  339   2HB   GLU  42          2HB       GLU  42   7.898 -19.514 -14.879
  340   1HG   GLU  42          1HG       GLU  42   9.298 -19.849 -16.839
  341   2HG   GLU  42          2HG       GLU  42   8.452 -21.355 -16.486
  342    H    SER  43           H        SER  43   5.752 -19.641 -13.221
  343    HA   SER  43           HA       SER  43   6.611 -22.240 -12.072
  344   1HB   SER  43          1HB       SER  43   7.047 -19.751 -11.255
  345   2HB   SER  43          2HB       SER  43   5.482 -19.957 -10.474
  346    HG   SER  43           HG       SER  43   7.177 -20.624  -9.112
  347    H    GLY  44           H        GLY  44   3.611 -20.263 -12.285
  348   1HA   GLY  44          2HA       GLY  44   2.092 -22.729 -11.556
  349   2HA   GLY  44          1HA       GLY  44   1.456 -21.408 -12.536
  350    H    GLY  45           H        GLY  45   0.159 -19.939 -11.445
  351   1HA   GLY  45          2HA       GLY  45   0.673 -19.497  -8.548
  352   2HA   GLY  45          1HA       GLY  45  -0.946 -19.983  -9.051
  353    H    ASP  46           H        ASP  46  -0.004 -17.389  -7.811
  354    HA   ASP  46           HA       ASP  46  -0.973 -15.548  -9.983
  355   1HB   ASP  46          1HB       ASP  46  -1.349 -15.606  -6.974
  356   2HB   ASP  46          2HB       ASP  46  -1.840 -14.245  -7.982
  357    H    MET  47           H        MET  47  -0.057 -13.340  -9.921
  358    HA   MET  47           HA       MET  47   2.748 -13.338  -8.866
  359   1HB   MET  47          1HB       MET  47   1.863 -12.845 -11.338
  360   2HB   MET  47          2HB       MET  47   1.637 -11.225 -10.677
  361   1HG   MET  47          1HG       MET  47   3.916 -10.925 -10.275
  362   2HG   MET  47          2HG       MET  47   4.235 -12.658 -10.212
  363   1HE   MET  47          3HE       MET  47   6.279 -11.960 -11.430
  364   2HE   MET  47          2HE       MET  47   6.409 -11.644 -13.158
  365   3HE   MET  47          1HE       MET  47   5.933 -10.346 -12.066
  366    H    LYS  48           H        LYS  48   3.457 -11.672  -7.428
  367    HA   LYS  48           HA       LYS  48   1.277  -9.915  -6.341
  368   1HB   LYS  48          1HB       LYS  48   2.130 -11.711  -4.852
  369   2HB   LYS  48          2HB       LYS  48   3.761 -11.061  -5.025
  370   1HG   LYS  48          1HG       LYS  48   3.100  -8.972  -3.979
  371   2HG   LYS  48          2HG       LYS  48   1.412  -9.480  -3.944
  372   1HD   LYS  48          1HD       LYS  48   2.267  -9.877  -1.744
  373   2HD   LYS  48          2HD       LYS  48   2.169 -11.457  -2.522
  374   1HE   LYS  48          1HE       LYS  48   4.652 -10.954  -3.246
  375   2HE   LYS  48          2HE       LYS  48   4.609  -9.819  -1.882
  376   1HZ   LYS  48          2HZ       LYS  48   3.691 -12.636  -1.703
  377   2HZ   LYS  48          1HZ       LYS  48   5.254 -12.135  -1.264
  378   3HZ   LYS  48          3HZ       LYS  48   3.908 -11.539  -0.424
  379    H    GLU  49           H        GLU  49   1.607  -7.732  -6.766
  380    HA   GLU  49           HA       GLU  49   4.428  -6.820  -7.249
  381   1HB   GLU  49          1HB       GLU  49   1.727  -5.918  -8.296
  382   2HB   GLU  49          2HB       GLU  49   3.216  -5.012  -8.569
  383   1HG   GLU  49          1HG       GLU  49   3.288  -6.314 -10.459
  384   2HG   GLU  49          2HG       GLU  49   4.055  -7.450  -9.347
  385    H    TRP  50           H        TRP  50   5.160  -5.032  -6.000
  386    HA   TRP  50           HA       TRP  50   3.325  -4.168  -3.804
  387   1HB   TRP  50          1HB       TRP  50   6.312  -4.008  -4.286
  388   2HB   TRP  50          2HB       TRP  50   5.531  -3.216  -2.917
  389    HD1  TRP  50           HD1      TRP  50   7.236  -6.280  -3.676
  390    HE1  TRP  50           HE1      TRP  50   6.570  -8.186  -2.073
  391    HE3  TRP  50           HE3      TRP  50   3.011  -4.273  -1.615
  392    HZ2  TRP  50           HZ2      TRP  50   4.520  -8.782  -0.170
  393    HZ3  TRP  50           HZ3      TRP  50   1.725  -5.530   0.089
  394    HH2  TRP  50           HH2      TRP  50   2.474  -7.781   0.813
  395    H    TYR  51           H        TYR  51   2.374  -2.142  -3.875
  396    HA   TYR  51           HA       TYR  51   3.458  -0.168  -5.861
  397   1HB   TYR  51          1HB       TYR  51   0.679  -0.625  -4.733
  398   2HB   TYR  51          2HB       TYR  51   1.099   0.667  -5.854
  399    HD1  TYR  51           HD1      TYR  51   1.637   0.202  -8.187
  400    HD2  TYR  51           HD2      TYR  51   0.627  -2.947  -5.439
  401    HE1  TYR  51           HE1      TYR  51   1.291  -1.358 -10.088
  402    HE2  TYR  51           HE2      TYR  51   0.287  -4.505  -7.331
  403    HH   TYR  51           HH       TYR  51  -0.364  -3.988 -10.041
  404    H    HIS  52           H        HIS  52   2.750   2.170  -5.192
  405    HA   HIS  52           HA       HIS  52   3.617   2.634  -2.371
  406   1HB   HIS  52          1HB       HIS  52   3.321   4.209  -4.908
  407   2HB   HIS  52          2HB       HIS  52   3.343   5.091  -3.389
  408    HD2  HIS  52           HD2      HIS  52   5.770   3.934  -1.748
  409    HE1  HIS  52           HE1      HIS  52   8.071   3.799  -5.304
  410    HE2  HIS  52           HE2      HIS  52   8.133   3.752  -2.790
  411    H    ILE  53           H        ILE  53   2.162   4.880  -1.618
  412    HA   ILE  53           HA       ILE  53  -0.557   3.753  -1.312
  413    HB   ILE  53           HB       ILE  53   0.737   6.308  -0.289
  414   1HG1  ILE  53          1HG1      ILE  53   1.748   4.201   0.549
  415   2HG1  ILE  53          2HG1      ILE  53   0.904   5.067   1.832
  416   1HG2  ILE  53          3HG2      ILE  53  -2.027   5.551  -0.361
  417   2HG2  ILE  53          2HG2      ILE  53  -1.480   5.413   1.311
  418   3HG2  ILE  53          1HG2      ILE  53  -1.298   6.939   0.451
  419   1HD1  ILE  53          3HD1      ILE  53  -1.012   3.367   0.589
  420   2HD1  ILE  53          2HD1      ILE  53   0.435   2.395   0.870
  421   3HD1  ILE  53          1HD1      ILE  53  -0.343   3.230   2.214
  422    H    LYS  54           H        LYS  54   0.945   6.597  -2.923
  423    HA   LYS  54           HA       LYS  54  -1.692   7.478  -3.930
  424   1HB   LYS  54          1HB       LYS  54   1.161   8.425  -4.167
  425   2HB   LYS  54          2HB       LYS  54  -0.095   9.115  -5.196
  426   1HG   LYS  54          1HG       LYS  54  -0.411   8.938  -2.197
  427   2HG   LYS  54          2HG       LYS  54   0.361  10.320  -2.971
  428   1HD   LYS  54          1HD       LYS  54  -1.659  10.702  -4.328
  429   2HD   LYS  54          2HD       LYS  54  -2.435   9.311  -3.571
  430   1HE   LYS  54          1HE       LYS  54  -2.077  10.469  -1.328
  431   2HE   LYS  54          2HE       LYS  54  -1.624  11.916  -2.250
  432   1HZ   LYS  54          1HZ       LYS  54  -4.125  10.382  -2.700
  433   2HZ   LYS  54          3HZ       LYS  54  -4.041  11.774  -1.736
  434   3HZ   LYS  54          2HZ       LYS  54  -3.697  11.871  -3.396
  435    H    CYS  55           H        CYS  55   1.128   5.704  -5.210
  436    HA   CYS  55           HA       CYS  55   0.432   5.869  -7.995
  437   1HB   CYS  55          1HB       CYS  55   1.825   3.664  -6.440
  438   2HB   CYS  55          2HB       CYS  55   1.839   3.812  -8.195
  439    H    MET  56           H        MET  56  -0.294   3.239  -5.643
  440    HA   MET  56           HA       MET  56  -1.982   1.782  -7.491
  441   1HB   MET  56          1HB       MET  56  -0.844   1.190  -5.128
  442   2HB   MET  56          2HB       MET  56  -2.451   1.618  -4.540
  443   1HG   MET  56          1HG       MET  56  -2.006  -0.332  -6.811
  444   2HG   MET  56          2HG       MET  56  -2.121  -0.839  -5.126
  445   1HE   MET  56          1HE       MET  56  -3.915  -1.767  -7.568
  446   2HE   MET  56          3HE       MET  56  -5.424  -0.882  -7.837
  447   3HE   MET  56          2HE       MET  56  -3.885  -0.171  -8.316
  448    H    PHE  57           H        PHE  57  -2.717   4.231  -4.977
  449    HA   PHE  57           HA       PHE  57  -5.600   4.044  -5.389
  450   1HB   PHE  57          1HB       PHE  57  -3.706   5.836  -3.933
  451   2HB   PHE  57          2HB       PHE  57  -5.303   6.487  -4.294
  452    HD1  PHE  57           HD1      PHE  57  -7.325   5.490  -3.342
  453    HD2  PHE  57           HD2      PHE  57  -3.444   3.890  -2.441
  454    HE1  PHE  57           HE1      PHE  57  -8.295   4.171  -1.484
  455    HE2  PHE  57           HE2      PHE  57  -4.408   2.582  -0.581
  456    HZ   PHE  57           HZ       PHE  57  -6.836   2.714  -0.103
  457    H    GLU  58           H        GLU  58  -2.984   5.918  -6.932
  458    HA   GLU  58           HA       GLU  58  -4.634   7.851  -8.275
  459   1HB   GLU  58          1HB       GLU  58  -2.155   7.955  -8.143
  460   2HB   GLU  58          2HB       GLU  58  -2.047   6.538  -9.188
  461   1HG   GLU  58          1HG       GLU  58  -3.160   7.762 -11.000
  462   2HG   GLU  58          2HG       GLU  58  -3.346   9.171  -9.954
  463    H    LYS  59           H        LYS  59  -3.769   4.473  -9.122
  464    HA   LYS  59           HA       LYS  59  -4.835   4.464 -11.790
  465   1HB   LYS  59          1HB       LYS  59  -3.526   2.663 -10.338
  466   2HB   LYS  59          2HB       LYS  59  -5.153   2.090  -9.970
  467   1HG   LYS  59          1HG       LYS  59  -4.599   2.670 -12.829
  468   2HG   LYS  59          2HG       LYS  59  -3.758   1.278 -12.148
  469   1HD   LYS  59          1HD       LYS  59  -6.647   1.534 -11.486
  470   2HD   LYS  59          2HD       LYS  59  -6.256   1.113 -13.154
  471   1HE   LYS  59          1HE       LYS  59  -6.187  -1.025 -12.313
  472   2HE   LYS  59          2HE       LYS  59  -4.560  -0.554 -11.787
  473   1HZ   LYS  59          3HZ       LYS  59  -6.995  -0.002 -10.187
  474   2HZ   LYS  59          2HZ       LYS  59  -6.060  -1.405  -9.978
  475   3HZ   LYS  59          1HZ       LYS  59  -5.379   0.125  -9.692
  476    H    LEU  60           H        LEU  60  -6.457   3.898  -8.641
  477    HA   LEU  60           HA       LEU  60  -9.051   3.233  -9.732
  478   1HB   LEU  60          1HB       LEU  60  -7.971   4.238  -7.115
  479   2HB   LEU  60          2HB       LEU  60  -9.715   4.305  -7.371
  480    HG   LEU  60           HG       LEU  60  -9.662   1.878  -7.994
  481   1HD1  LEU  60          2HD1      LEU  60  -6.772   2.198  -7.141
  482   2HD1  LEU  60          1HD1      LEU  60  -7.578   0.634  -7.265
  483   3HD1  LEU  60          3HD1      LEU  60  -7.371   1.636  -8.702
  484   1HD2  LEU  60          1HD2      LEU  60  -8.860   2.926  -5.304
  485   2HD2  LEU  60          3HD2      LEU  60 -10.355   2.127  -5.793
  486   3HD2  LEU  60          2HD2      LEU  60  -8.888   1.179  -5.545
  487    H    GLU  61           H        GLU  61  -7.614   6.378  -8.724
  488    HA   GLU  61           HA       GLU  61  -9.888   8.026  -9.280
  489   1HB   GLU  61          1HB       GLU  61  -7.704   8.686  -8.157
  490   2HB   GLU  61          2HB       GLU  61  -6.976   8.739  -9.762
  491   1HG   GLU  61          1HG       GLU  61  -9.035  10.290 -10.320
  492   2HG   GLU  61          2HG       GLU  61  -9.067  10.532  -8.573
  493    H    ARG  62           H        ARG  62  -7.429   6.643 -11.471
  494    HA   ARG  62           HA       ARG  62  -8.757   7.990 -13.789
  495   1HB   ARG  62          1HB       ARG  62  -6.246   8.104 -13.344
  496   2HB   ARG  62          2HB       ARG  62  -6.187   6.378 -13.707
  497   1HG   ARG  62          1HG       ARG  62  -7.602   7.288 -15.853
  498   2HG   ARG  62          2HG       ARG  62  -6.571   8.683 -15.532
  499   1HD   ARG  62          1HD       ARG  62  -4.652   7.564 -16.125
  500   2HD   ARG  62          2HD       ARG  62  -5.234   6.019 -15.474
  501    HE   ARG  62           HE       ARG  62  -6.692   5.827 -17.482
  502   1HH1  ARG  62          1HH1      ARG  62  -3.654   6.258 -18.178
  503   2HH1  ARG  62          2HH1      ARG  62  -3.825   7.262 -19.578
  504   1HH2  ARG  62          1HH2      ARG  62  -7.168   7.972 -18.989
  505   2HH2  ARG  62          2HH2      ARG  62  -5.814   8.233 -20.038
  506    H    ALA  63           H        ALA  63  -9.907   5.545 -12.310
  507    HA   ALA  63           HA       ALA  63  -9.780   3.589 -14.581
  508   1HB   ALA  63          2HB       ALA  63  -9.049   2.313 -12.827
  509   2HB   ALA  63          1HB       ALA  63  -9.729   3.412 -11.626
  510   3HB   ALA  63          3HB       ALA  63 -10.762   2.224 -12.419
  511    H    ARG  64           H        ARG  64 -11.917   2.334 -14.841
  512    HA   ARG  64           HA       ARG  64 -14.137   4.160 -15.156
  513   1HB   ARG  64          1HB       ARG  64 -13.518   1.781 -16.214
  514   2HB   ARG  64          2HB       ARG  64 -14.576   1.201 -14.928
  515   1HG   ARG  64          1HG       ARG  64 -15.994   1.552 -16.815
  516   2HG   ARG  64          2HG       ARG  64 -16.281   2.923 -15.745
  517   1HD   ARG  64          1HD       ARG  64 -16.013   3.774 -18.016
  518   2HD   ARG  64          2HD       ARG  64 -14.562   4.218 -17.096
  519    HE   ARG  64           HE       ARG  64 -14.643   1.745 -18.787
  520   1HH1  ARG  64          1HH1      ARG  64 -13.650   4.897 -19.010
  521   2HH1  ARG  64          2HH1      ARG  64 -11.971   4.558 -19.273
  522   1HH2  ARG  64          1HH2      ARG  64 -12.265   1.182 -18.536
  523   2HH2  ARG  64          2HH2      ARG  64 -11.188   2.455 -19.004
  524    H    ALA  65           H        ALA  65 -16.216   4.145 -13.967
  525    HA   ALA  65           HA       ALA  65 -15.822   3.802 -11.060
  526   1HB   ALA  65          2HB       ALA  65 -17.012   5.750 -11.988
  527   2HB   ALA  65          3HB       ALA  65 -18.095   4.814 -10.959
  528   3HB   ALA  65          1HB       ALA  65 -18.215   4.685 -12.714
  529    H    THR  66           H        THR  66 -17.654   2.134 -13.653
  530    HA   THR  66           HA       THR  66 -19.431   0.545 -12.151
  531    HB   THR  66           HB       THR  66 -18.986  -1.183 -14.005
  532    HG1  THR  66           HG1      THR  66 -16.922  -0.782 -14.559
  533   1HG2  THR  66          1HG2      THR  66 -20.627   0.776 -14.075
  534   2HG2  THR  66          3HG2      THR  66 -19.402   1.638 -15.007
  535   3HG2  THR  66          2HG2      THR  66 -20.103   0.149 -15.638
  536    H    THR  67           H        THR  67 -15.899   0.049 -12.556
  537    HA   THR  67           HA       THR  67 -16.093  -2.307 -10.706
  538    HB   THR  67           HB       THR  67 -13.869  -2.872 -11.683
  539    HG1  THR  67           HG1      THR  67 -13.023  -1.586 -13.258
  540   1HG2  THR  67          1HG2      THR  67 -16.325  -2.498 -13.323
  541   2HG2  THR  67          3HG2      THR  67 -14.840  -2.894 -14.188
  542   3HG2  THR  67          2HG2      THR  67 -15.446  -3.976 -12.934
  543    H    LYS  68           H        LYS  68 -15.393  -1.919  -8.601
  544    HA   LYS  68           HA       LYS  68 -13.551   0.413  -8.165
  545   1HB   LYS  68          1HB       LYS  68 -16.083   0.048  -7.257
  546   2HB   LYS  68          2HB       LYS  68 -15.179  -0.721  -5.952
  547   1HG   LYS  68          1HG       LYS  68 -13.813   1.308  -5.684
  548   2HG   LYS  68          2HG       LYS  68 -14.691   2.080  -7.006
  549   1HD   LYS  68          1HD       LYS  68 -15.993   1.056  -4.467
  550   2HD   LYS  68          2HD       LYS  68 -15.539   2.739  -4.740
  551   1HE   LYS  68          1HE       LYS  68 -16.980   2.665  -6.847
  552   2HE   LYS  68          2HE       LYS  68 -17.601   1.112  -6.254
  553   1HZ   LYS  68          3HZ       LYS  68 -18.167   2.178  -4.157
  554   2HZ   LYS  68          2HZ       LYS  68 -17.595   3.670  -4.738
  555   3HZ   LYS  68          1HZ       LYS  68 -18.960   2.945  -5.445
  556    H    LYS  69           H        LYS  69 -11.695   0.056  -6.826
  557    HA   LYS  69           HA       LYS  69 -11.255  -2.787  -5.961
  558   1HB   LYS  69          1HB       LYS  69  -9.322  -0.712  -7.052
  559   2HB   LYS  69          2HB       LYS  69  -8.872  -2.336  -6.531
  560   1HG   LYS  69          1HG       LYS  69 -10.564  -3.218  -8.216
  561   2HG   LYS  69          2HG       LYS  69 -10.671  -1.573  -8.842
  562   1HD   LYS  69          1HD       LYS  69  -9.018  -2.533 -10.206
  563   2HD   LYS  69          2HD       LYS  69  -8.068  -1.709  -8.967
  564   1HE   LYS  69          1HE       LYS  69  -7.053  -3.777  -8.814
  565   2HE   LYS  69          2HE       LYS  69  -8.437  -4.119  -7.755
  566   1HZ   LYS  69          3HZ       LYS  69  -8.426  -4.510 -10.701
  567   2HZ   LYS  69          2HZ       LYS  69  -8.208  -5.756  -9.567
  568   3HZ   LYS  69          1HZ       LYS  69  -9.682  -4.914  -9.635
  569    H    ILE  70           H        ILE  70 -10.247  -3.058  -3.875
  570    HA   ILE  70           HA       ILE  70  -9.740  -2.467  -1.653
  571    HB   ILE  70           HB       ILE  70  -8.720   0.002  -3.103
  572   1HG1  ILE  70          1HG1      ILE  70  -7.273  -2.557  -2.344
  573   2HG1  ILE  70          2HG1      ILE  70  -7.856  -2.191  -3.968
  574   1HG2  ILE  70          1HG2      ILE  70  -8.272  -1.130  -0.342
  575   2HG2  ILE  70          3HG2      ILE  70  -7.056  -0.112  -1.113
  576   3HG2  ILE  70          2HG2      ILE  70  -8.671   0.525  -0.801
  577   1HD1  ILE  70          3HD1      ILE  70  -6.080  -0.235  -2.529
  578   2HD1  ILE  70          2HD1      ILE  70  -5.377  -1.622  -3.361
  579   3HD1  ILE  70          1HD1      ILE  70  -6.325  -0.440  -4.263
  580    H    GLU  71           H        GLU  71 -11.809  -2.181  -0.661
  581    HA   GLU  71           HA       GLU  71 -12.977   0.581  -0.821
  582   1HB   GLU  71          1HB       GLU  71 -14.310  -1.384  -1.664
  583   2HB   GLU  71          2HB       GLU  71 -14.271  -2.049  -0.029
  584   1HG   GLU  71          1HG       GLU  71 -15.443  -0.103   0.843
  585   2HG   GLU  71          2HG       GLU  71 -15.378   0.685  -0.734
  586    H    ASP  72           H        ASP  72 -13.118   1.755   1.127
  587    HA   ASP  72           HA       ASP  72 -12.746   2.268   3.400
  588   1HB   ASP  72          1HB       ASP  72 -14.178  -0.325   3.209
  589   2HB   ASP  72          2HB       ASP  72 -13.452   0.018   4.779
  590    H    LEU  73           H        LEU  73 -11.682   1.006   5.557
  591    HA   LEU  73           HA       LEU  73  -9.063  -0.061   4.545
  592   1HB   LEU  73          1HB       LEU  73  -9.061   2.163   5.667
  593   2HB   LEU  73          2HB       LEU  73  -9.762   1.419   7.105
  594    HG   LEU  73           HG       LEU  73  -7.780  -0.099   7.230
  595   1HD1  LEU  73          2HD1      LEU  73  -6.994   1.541   4.826
  596   2HD1  LEU  73          1HD1      LEU  73  -5.764   0.812   5.859
  597   3HD1  LEU  73          3HD1      LEU  73  -6.940  -0.210   5.032
  598   1HD2  LEU  73          3HD2      LEU  73  -7.444   2.899   7.310
  599   2HD2  LEU  73          2HD2      LEU  73  -7.644   1.780   8.659
  600   3HD2  LEU  73          1HD2      LEU  73  -6.123   1.824   7.768
  601    H    THR  74           H        THR  74 -10.006  -2.304   4.588
  602    HA   THR  74           HA       THR  74  -9.535  -3.625   7.143
  603    HB   THR  74           HB       THR  74 -12.154  -4.431   6.830
  604    HG1  THR  74           HG1      THR  74 -13.355  -2.671   6.346
  605   1HG2  THR  74          3HG2      THR  74 -10.656  -3.352   8.800
  606   2HG2  THR  74          2HG2      THR  74 -11.734  -1.994   8.474
  607   3HG2  THR  74          1HG2      THR  74 -12.403  -3.561   8.930
  608    H    GLU  75           H        GLU  75 -11.441  -4.060   4.087
  609    HA   GLU  75           HA       GLU  75 -11.243  -6.854   3.804
  610   1HB   GLU  75          1HB       GLU  75 -11.425  -4.521   1.959
  611   2HB   GLU  75          2HB       GLU  75 -10.969  -6.061   1.227
  612   1HG   GLU  75          1HG       GLU  75 -12.953  -7.122   2.301
  613   2HG   GLU  75          2HG       GLU  75 -13.431  -5.540   2.919
  614    H    LEU  76           H        LEU  76  -8.710  -4.426   3.063
  615    HA   LEU  76           HA       LEU  76  -6.887  -6.379   1.869
  616   1HB   LEU  76          1HB       LEU  76  -6.855  -3.506   2.634
  617   2HB   LEU  76          2HB       LEU  76  -5.288  -4.306   2.693
  618    HG   LEU  76           HG       LEU  76  -5.599  -5.104   0.377
  619   1HD1  LEU  76          3HD1      LEU  76  -8.145  -5.115   0.552
  620   2HD1  LEU  76          2HD1      LEU  76  -8.081  -3.372   0.291
  621   3HD1  LEU  76          1HD1      LEU  76  -7.489  -4.472  -0.954
  622   1HD2  LEU  76          3HD2      LEU  76  -5.572  -2.242   1.139
  623   2HD2  LEU  76          2HD2      LEU  76  -4.444  -3.151   0.136
  624   3HD2  LEU  76          1HD2      LEU  76  -5.953  -2.559  -0.553
  625    H    GLU  77           H        GLU  77  -5.000  -7.342   2.903
  626    HA   GLU  77           HA       GLU  77  -5.370  -7.723   5.841
  627   1HB   GLU  77          1HB       GLU  77  -3.561  -9.155   3.864
  628   2HB   GLU  77          2HB       GLU  77  -3.968  -9.696   5.492
  629   1HG   GLU  77          1HG       GLU  77  -5.976  -9.295   3.259
  630   2HG   GLU  77          2HG       GLU  77  -5.307 -10.857   3.732
  631    H    GLY  78           H        GLY  78  -3.848  -7.012   7.366
  632   1HA   GLY  78          2HA       GLY  78  -1.423  -5.647   6.274
  633   2HA   GLY  78          1HA       GLY  78  -1.320  -6.712   7.672
  634    H    TRP  79           H        TRP  79  -3.870  -4.280   6.928
  635    HA   TRP  79           HA       TRP  79  -2.939  -2.169   8.581
  636   1HB   TRP  79          1HB       TRP  79  -5.307  -1.461   8.658
  637   2HB   TRP  79          2HB       TRP  79  -4.882  -2.028   7.047
  638    HD1  TRP  79           HD1      TRP  79  -6.186  -4.045   6.095
  639    HE1  TRP  79           HE1      TRP  79  -8.086  -5.544   6.981
  640    HE3  TRP  79           HE3      TRP  79  -6.278  -2.558  10.981
  641    HZ2  TRP  79           HZ2      TRP  79  -9.465  -6.043   9.435
  642    HZ3  TRP  79           HZ3      TRP  79  -7.895  -3.559  12.567
  643    HH2  TRP  79           HH2      TRP  79  -9.488  -5.298  11.802
  644    H    GLU  80           H        GLU  80  -4.694  -5.133   9.558
  645    HA   GLU  80           HA       GLU  80  -5.171  -4.300  12.297
  646   1HB   GLU  80          1HB       GLU  80  -6.267  -6.205  10.996
  647   2HB   GLU  80          2HB       GLU  80  -4.796  -7.134  11.284
  648   1HG   GLU  80          1HG       GLU  80  -5.158  -7.251  13.585
  649   2HG   GLU  80          2HG       GLU  80  -6.177  -5.811  13.599
  650    H    GLU  81           H        GLU  81  -2.327  -5.760  10.696
  651    HA   GLU  81           HA       GLU  81  -1.041  -6.214  13.348
  652   1HB   GLU  81          1HB       GLU  81  -0.250  -6.851  10.488
  653   2HB   GLU  81          2HB       GLU  81   0.733  -7.264  11.895
  654   1HG   GLU  81          1HG       GLU  81  -1.572  -8.316  12.735
  655   2HG   GLU  81          2HG       GLU  81  -1.875  -8.416  11.000
  656    H    LEU  82           H        LEU  82  -0.678  -4.116  10.452
  657    HA   LEU  82           HA       LEU  82   1.877  -3.001  11.099
  658   1HB   LEU  82          1HB       LEU  82  -0.547  -1.808   9.708
  659   2HB   LEU  82          2HB       LEU  82   1.045  -1.055   9.710
  660    HG   LEU  82           HG       LEU  82   0.387  -3.808   8.612
  661   1HD1  LEU  82          1HD1      LEU  82   0.652  -1.089   7.434
  662   2HD1  LEU  82          3HD1      LEU  82   1.375  -2.420   6.531
  663   3HD1  LEU  82          2HD1      LEU  82  -0.346  -2.448   6.916
  664   1HD2  LEU  82          1HD2      LEU  82   2.924  -2.447   9.292
  665   2HD2  LEU  82          3HD2      LEU  82   2.593  -4.165   9.076
  666   3HD2  LEU  82          2HD2      LEU  82   2.873  -3.137   7.671
  667    H    GLU  83           H        GLU  83   1.830  -0.351  11.588
  668    HA   GLU  83           HA       GLU  83   1.241  -0.128  14.397
  669   1HB   GLU  83          1HB       GLU  83   1.952   1.764  12.172
  670   2HB   GLU  83          2HB       GLU  83   1.456   2.434  13.727
  671   1HG   GLU  83          1HG       GLU  83   3.764   2.228  14.019
  672   2HG   GLU  83          2HG       GLU  83   3.180   0.711  14.705
  673    H    ASP  84           H        ASP  84  -0.370   1.399  15.415
  674    HA   ASP  84           HA       ASP  84  -3.019   1.096  14.124
  675   1HB   ASP  84          1HB       ASP  84  -1.970   1.960  16.810
  676   2HB   ASP  84          2HB       ASP  84  -3.644   2.307  16.376
  677    H    ASN  85           H        ASN  85  -0.934   3.796  15.248
  678    HA   ASN  85           HA       ASN  85  -2.695   5.917  14.403
  679   1HB   ASN  85          1HB       ASN  85  -0.515   5.929  15.867
  680   2HB   ASN  85          2HB       ASN  85   0.314   6.132  14.322
  681   1HD2  ASN  85          2HD2      ASN  85  -0.464   8.055  16.771
  682   2HD2  ASN  85          1HD2      ASN  85  -1.024   9.434  15.955
  683    H    GLU  86           H        GLU  86  -0.039   4.218  12.697
  684    HA   GLU  86           HA       GLU  86  -0.140   5.769  10.274
  685   1HB   GLU  86          1HB       GLU  86   0.814   3.045  11.083
  686   2HB   GLU  86          2HB       GLU  86   0.688   3.392   9.358
  687   1HG   GLU  86          1HG       GLU  86   2.928   3.974  10.092
  688   2HG   GLU  86          2HG       GLU  86   2.054   5.465   9.739
  689    H    LYS  87           H        LYS  87  -1.953   2.854  11.298
  690    HA   LYS  87           HA       LYS  87  -3.327   2.331   8.847
  691   1HB   LYS  87          1HB       LYS  87  -3.331   0.857  10.854
  692   2HB   LYS  87          2HB       LYS  87  -4.330   2.036  11.702
  693   1HG   LYS  87          1HG       LYS  87  -6.055   1.782   9.898
  694   2HG   LYS  87          2HG       LYS  87  -5.080   0.482   9.209
  695   1HD   LYS  87          1HD       LYS  87  -6.665  -0.625  10.588
  696   2HD   LYS  87          2HD       LYS  87  -5.183  -0.597  11.545
  697   1HE   LYS  87          1HE       LYS  87  -6.038   0.907  13.069
  698   2HE   LYS  87          2HE       LYS  87  -7.022   1.737  11.849
  699   1HZ   LYS  87          1HZ       LYS  87  -7.530  -1.017  12.844
  700   2HZ   LYS  87          3HZ       LYS  87  -8.372   0.361  13.362
  701   3HZ   LYS  87          2HZ       LYS  87  -8.491  -0.147  11.746
  702    H    GLU  88           H        GLU  88  -4.125   4.614  11.490
  703    HA   GLU  88           HA       GLU  88  -6.695   5.447  10.512
  704   1HB   GLU  88          1HB       GLU  88  -5.254   5.995  12.713
  705   2HB   GLU  88          2HB       GLU  88  -4.850   7.438  11.783
  706   1HG   GLU  88          1HG       GLU  88  -7.192   8.007  11.532
  707   2HG   GLU  88          2HG       GLU  88  -7.684   6.483  12.272
  708    H    GLN  89           H        GLN  89  -3.398   6.682   9.784
  709    HA   GLN  89           HA       GLN  89  -4.187   8.867   8.103
  710   1HB   GLN  89          1HB       GLN  89  -1.846   8.038   9.039
  711   2HB   GLN  89          2HB       GLN  89  -1.756   7.215   7.481
  712   1HG   GLN  89          1HG       GLN  89  -1.824   9.230   6.270
  713   2HG   GLN  89          2HG       GLN  89  -2.494  10.131   7.632
  714   1HE2  GLN  89          1HE2      GLN  89   0.362   9.788   5.932
  715   2HE2  GLN  89          2HE2      GLN  89   1.460  10.165   7.170
  716    H    ILE  90           H        ILE  90  -3.805   5.391   7.361
  717    HA   ILE  90           HA       ILE  90  -3.973   5.581   4.501
  718    HB   ILE  90           HB       ILE  90  -4.908   3.413   6.425
  719   1HG1  ILE  90          1HG1      ILE  90  -2.494   3.909   6.566
  720   2HG1  ILE  90          2HG1      ILE  90  -2.756   2.338   5.816
  721   1HG2  ILE  90          1HG2      ILE  90  -5.986   3.156   4.220
  722   2HG2  ILE  90          3HG2      ILE  90  -4.409   3.254   3.435
  723   3HG2  ILE  90          2HG2      ILE  90  -4.787   1.889   4.485
  724   1HD1  ILE  90          2HD1      ILE  90  -2.787   4.027   3.637
  725   2HD1  ILE  90          1HD1      ILE  90  -1.581   4.783   4.677
  726   3HD1  ILE  90          3HD1      ILE  90  -1.386   3.103   4.178
  727    H    THR  91           H        THR  91  -6.559   5.440   6.999
  728    HA   THR  91           HA       THR  91  -8.795   5.183   5.229
  729    HB   THR  91           HB       THR  91  -8.941   6.944   7.660
  730    HG1  THR  91           HG1      THR  91  -8.688   5.187   8.978
  731   1HG2  THR  91          1HG2      THR  91 -10.925   6.165   6.236
  732   2HG2  THR  91          3HG2      THR  91 -10.617   4.553   6.885
  733   3HG2  THR  91          2HG2      THR  91 -11.043   5.875   7.972
  734    H    GLN  92           H        GLN  92  -7.082   8.121   6.356
  735    HA   GLN  92           HA       GLN  92  -8.800  10.025   5.023
  736   1HB   GLN  92          1HB       GLN  92  -5.963  10.012   6.047
  737   2HB   GLN  92          2HB       GLN  92  -6.541  11.394   5.116
  738   1HG   GLN  92          1HG       GLN  92  -7.922  10.285   7.577
  739   2HG   GLN  92          2HG       GLN  92  -6.856  11.690   7.577
  740   1HE2  GLN  92          1HE2      GLN  92  -9.968  11.331   7.969
  741   2HE2  GLN  92          2HE2      GLN  92 -10.607  12.516   6.936
  742    H    HIS  93           H        HIS  93  -5.847   8.284   3.945
  743    HA   HIS  93           HA       HIS  93  -5.520   9.576   1.408
  744   1HB   HIS  93          1HB       HIS  93  -3.869   8.042   2.420
  745   2HB   HIS  93          2HB       HIS  93  -4.995   6.698   2.259
  746    HD1  HIS  93           HD1      HIS  93  -2.758   8.950   0.229
  747    HD2  HIS  93           HD2      HIS  93  -5.165   5.598  -0.336
  748    HE1  HIS  93           HE1      HIS  93  -2.182   8.027  -2.060
  749    H    ILE  94           H        ILE  94  -7.563   6.755   2.325
  750    HA   ILE  94           HA       ILE  94  -8.558   6.329  -0.382
  751    HB   ILE  94           HB       ILE  94  -9.569   5.526   2.371
  752   1HG1  ILE  94          1HG1      ILE  94  -8.567   3.564   0.379
  753   2HG1  ILE  94          2HG1      ILE  94  -7.362   4.671   1.036
  754   1HG2  ILE  94          2HG2      ILE  94 -10.601   4.822  -0.387
  755   2HG2  ILE  94          1HG2      ILE  94 -10.894   3.793   1.015
  756   3HG2  ILE  94          3HG2      ILE  94 -11.515   5.443   0.987
  757   1HD1  ILE  94          2HD1      ILE  94  -9.271   3.077   2.759
  758   2HD1  ILE  94          1HD1      ILE  94  -7.650   2.525   2.338
  759   3HD1  ILE  94          3HD1      ILE  94  -7.861   3.996   3.288
  760    H    ALA  95           H        ALA  95  -9.733   8.201   2.436
  761    HA   ALA  95           HA       ALA  95 -12.249   9.015   1.312
  762   1HB   ALA  95          1HB       ALA  95 -11.696  11.097   2.883
  763   2HB   ALA  95          3HB       ALA  95 -12.037   9.513   3.582
  764   3HB   ALA  95          2HB       ALA  95 -10.370  10.058   3.406
  765    H    ASP  96           H        ASP  96  -8.959  10.400   0.981
  766    HA   ASP  96           HA       ASP  96  -9.748  12.785  -0.447
  767   1HB   ASP  96          1HB       ASP  96  -7.427  11.881   0.572
  768   2HB   ASP  96          2HB       ASP  96  -7.175  11.400  -1.106
  769    H    LEU  97           H        LEU  97  -8.884   9.486  -1.583
  770    HA   LEU  97           HA       LEU  97  -8.986  10.028  -4.404
  771   1HB   LEU  97          1HB       LEU  97  -8.107   7.947  -3.328
  772   2HB   LEU  97          2HB       LEU  97  -9.762   7.487  -2.924
  773    HG   LEU  97           HG       LEU  97 -10.119   7.914  -5.536
  774   1HD1  LEU  97          3HD1      LEU  97  -7.175   7.350  -5.177
  775   2HD1  LEU  97          2HD1      LEU  97  -8.023   6.899  -6.656
  776   3HD1  LEU  97          1HD1      LEU  97  -7.940   8.591  -6.170
  777   1HD2  LEU  97          3HD2      LEU  97  -9.229   5.545  -3.960
  778   2HD2  LEU  97          2HD2      LEU  97 -10.716   5.791  -4.876
  779   3HD2  LEU  97          1HD2      LEU  97  -9.220   5.382  -5.717
  780    H    SER  98           H        SER  98 -11.611   9.266  -2.074
  781    HA   SER  98           HA       SER  98 -13.617   9.223  -4.268
  782   1HB   SER  98          1HB       SER  98 -13.925   7.617  -2.509
  783   2HB   SER  98          2HB       SER  98 -13.702   8.839  -1.261
  784    HG   SER  98           HG       SER  98 -15.864   8.617  -1.428
  785    H    SER  99           H        SER  99 -12.709  11.313  -1.484
  786    HA   SER  99           HA       SER  99 -14.610  13.382  -2.545
  787   1HB   SER  99          1HB       SER  99 -15.109  12.556  -0.289
  788   2HB   SER  99          2HB       SER  99 -13.456  12.884   0.220
  789    HG   SER  99           HG       SER  99 -13.836  15.031   0.088
  790    H    LYS 100           H        LYS 100 -13.324  14.725  -3.875
  791    HA   LYS 100           HA       LYS 100 -10.690  15.622  -2.744
  792   1HB   LYS 100          1HB       LYS 100 -11.132  14.268  -5.029
  793   2HB   LYS 100          2HB       LYS 100 -11.387  15.906  -5.632
  794   1HG   LYS 100          1HG       LYS 100  -9.197  16.595  -4.985
  795   2HG   LYS 100          2HG       LYS 100  -8.957  15.152  -3.999
  796   1HD   LYS 100          1HD       LYS 100  -8.914  13.740  -5.972
  797   2HD   LYS 100          2HD       LYS 100  -9.339  15.105  -7.005
  798   1HE   LYS 100          1HE       LYS 100  -6.976  14.904  -7.240
  799   2HE   LYS 100          2HE       LYS 100  -7.178  16.216  -6.062
  800   1HZ   LYS 100          1HZ       LYS 100  -6.938  13.359  -5.295
  801   2HZ   LYS 100          3HZ       LYS 100  -5.611  14.413  -5.355
  802   3HZ   LYS 100          2HZ       LYS 100  -6.884  14.714  -4.271
  803    H    ALA 101           H        ALA 101 -10.436  17.861  -2.427
  804    HA   ALA 101           HA       ALA 101 -12.521  19.661  -3.615
  805   1HB   ALA 101          3HB       ALA 101 -12.656  20.777  -1.455
  806   2HB   ALA 101          2HB       ALA 101 -12.896  19.048  -1.199
  807   3HB   ALA 101          1HB       ALA 101 -11.341  19.789  -0.822
  808    H    ALA 102           H        ALA 102 -10.655  20.011  -5.238
  809    HA   ALA 102           HA       ALA 102  -8.852  22.155  -4.200
  810   1HB   ALA 102          1HB       ALA 102  -7.982  19.618  -4.438
  811   2HB   ALA 102          3HB       ALA 102  -7.745  20.142  -6.105
  812   3HB   ALA 102          2HB       ALA 102  -6.942  20.998  -4.789
  813    H    GLY 103           H        GLY 103  -9.061  23.926  -5.577
  814   1HA   GLY 103          2HA       GLY 103 -10.567  24.510  -7.636
  815   2HA   GLY 103          1HA       GLY 103  -9.497  23.388  -8.478
  816    H    THR 104           H        THR 104  -7.000  24.067  -7.363
  817    HA   THR 104           HA       THR 104  -6.660  26.848  -8.412
  818    HB   THR 104           HB       THR 104  -5.397  25.730  -5.888
  819    HG1  THR 104           HG1      THR 104  -7.481  26.010  -5.362
  820   1HG2  THR 104          1HG2      THR 104  -4.334  27.649  -7.303
  821   2HG2  THR 104          3HG2      THR 104  -5.653  28.626  -6.659
  822   3HG2  THR 104          2HG2      THR 104  -4.499  27.868  -5.561
  823    HA   PRO 105           HA       PRO 105  -3.474  23.633  -9.785
  824   1HB   PRO 105          1HB       PRO 105  -4.126  23.524 -12.441
  825   2HB   PRO 105          2HB       PRO 105  -4.839  22.444 -11.228
  826   1HG   PRO 105          1HG       PRO 105  -5.974  24.890 -12.483
  827   2HG   PRO 105          2HG       PRO 105  -6.770  23.369 -12.049
  828   1HD   PRO 105          1HD       PRO 105  -6.955  25.649 -10.560
  829   2HD   PRO 105          2HD       PRO 105  -7.109  24.013  -9.882
  830    H    LYS 106           H        LYS 106  -1.485  24.611 -10.252
  831    HA   LYS 106           HA       LYS 106  -1.436  26.887 -12.179
  832   1HB   LYS 106          1HB       LYS 106  -0.135  28.207 -10.515
  833   2HB   LYS 106          2HB       LYS 106  -1.752  27.825  -9.925
  834   1HG   LYS 106          1HG       LYS 106  -0.836  25.919  -8.644
  835   2HG   LYS 106          2HG       LYS 106   0.781  26.307  -9.229
  836   1HD   LYS 106          1HD       LYS 106   0.888  27.505  -7.281
  837   2HD   LYS 106          2HD       LYS 106   0.058  28.726  -8.247
  838   1HE   LYS 106          1HE       LYS 106  -2.115  27.422  -7.454
  839   2HE   LYS 106          2HE       LYS 106  -1.053  26.921  -6.124
  840   1HZ   LYS 106          2HZ       LYS 106  -1.350  29.728  -7.048
  841   2HZ   LYS 106          1HZ       LYS 106  -2.188  29.078  -5.722
  842   3HZ   LYS 106          3HZ       LYS 106  -0.496  29.187  -5.683
  843    H    LYS 107           H        LYS 107   0.486  26.892 -13.421
  844    HA   LYS 107           HA       LYS 107   2.715  25.111 -12.507
  845   1HB   LYS 107          1HB       LYS 107   1.177  25.167 -15.107
  846   2HB   LYS 107          2HB       LYS 107   2.800  24.479 -15.019
  847   1HG   LYS 107          1HG       LYS 107   2.111  22.846 -13.399
  848   2HG   LYS 107          2HG       LYS 107   0.552  23.639 -13.174
  849   1HD   LYS 107          1HD       LYS 107   1.419  22.559 -15.859
  850   2HD   LYS 107          2HD       LYS 107   0.569  21.559 -14.680
  851   1HE   LYS 107          1HE       LYS 107  -1.420  22.693 -14.953
  852   2HE   LYS 107          2HE       LYS 107  -0.610  24.240 -15.275
  853   1HZ   LYS 107          2HZ       LYS 107   0.203  23.250 -17.384
  854   2HZ   LYS 107          1HZ       LYS 107  -0.790  21.901 -17.097
  855   3HZ   LYS 107          3HZ       LYS 107  -1.486  23.430 -17.331
  856    H    LYS 108           H        LYS 108   1.972  27.227 -15.353
  857    HA   LYS 108           HA       LYS 108   4.296  28.941 -14.612
  858   1HB   LYS 108          1HB       LYS 108   5.075  27.083 -16.071
  859   2HB   LYS 108          2HB       LYS 108   3.897  27.567 -17.291
  860   1HG   LYS 108          1HG       LYS 108   4.977  29.696 -17.601
  861   2HG   LYS 108          2HG       LYS 108   6.031  29.426 -16.213
  862   1HD   LYS 108          1HD       LYS 108   7.375  27.924 -17.346
  863   2HD   LYS 108          2HD       LYS 108   6.073  27.407 -18.418
  864   1HE   LYS 108          1HE       LYS 108   6.854  30.257 -18.687
  865   2HE   LYS 108          2HE       LYS 108   8.068  29.077 -19.220
  866   1HZ   LYS 108          3HZ       LYS 108   5.196  28.964 -19.968
  867   2HZ   LYS 108          2HZ       LYS 108   6.406  29.631 -20.958
  868   3HZ   LYS 108          1HZ       LYS 108   6.442  27.979 -20.560
  869    H    ALA 109           H        ALA 109   1.936  28.475 -17.333
  870    HA   ALA 109           HA       ALA 109   1.133  31.339 -16.965
  871   1HB   ALA 109          2HB       ALA 109   1.447  31.736 -19.272
  872   2HB   ALA 109          1HB       ALA 109   2.833  30.731 -18.849
  873   3HB   ALA 109          3HB       ALA 109   1.440  30.016 -19.658
  874    H    VAL 110           H        VAL 110  -1.035  31.127 -16.317
  875    HA   VAL 110           HA       VAL 110  -2.731  29.179 -17.850
  876    HB   VAL 110           HB       VAL 110  -2.970  30.248 -15.014
  877   1HG1  VAL 110          1HG1      VAL 110  -5.156  29.728 -16.073
  878   2HG1  VAL 110          3HG1      VAL 110  -4.570  28.109 -16.455
  879   3HG1  VAL 110          2HG1      VAL 110  -4.774  28.598 -14.773
  880   1HG2  VAL 110          2HG2      VAL 110  -1.944  27.668 -16.199
  881   2HG2  VAL 110          1HG2      VAL 110  -1.175  28.708 -15.000
  882   3HG2  VAL 110          3HG2      VAL 110  -2.568  27.724 -14.551
  883    H    VAL 111           H        VAL 111  -3.596  30.605 -19.460
  884    HA   VAL 111           HA       VAL 111  -5.277  32.841 -18.394
  885    HB   VAL 111           HB       VAL 111  -3.354  32.920 -20.749
  886   1HG1  VAL 111          3HG1      VAL 111  -5.398  34.274 -21.101
  887   2HG1  VAL 111          2HG1      VAL 111  -5.118  35.087 -19.562
  888   3HG1  VAL 111          1HG1      VAL 111  -3.977  35.298 -20.890
  889   1HG2  VAL 111          3HG2      VAL 111  -3.221  33.837 -17.903
  890   2HG2  VAL 111          2HG2      VAL 111  -1.940  33.202 -18.936
  891   3HG2  VAL 111          1HG2      VAL 111  -2.490  34.866 -19.135
  892    H    GLN 112           H        GLN 112  -7.270  33.082 -19.540
  893    HA   GLN 112           HA       GLN 112  -7.729  31.104 -21.753
  894   1HB   GLN 112          1HB       GLN 112  -9.403  32.153 -19.470
  895   2HB   GLN 112          2HB       GLN 112 -10.156  31.390 -20.869
  896   1HG   GLN 112          1HG       GLN 112  -9.248  29.308 -20.400
  897   2HG   GLN 112          2HG       GLN 112  -7.866  29.990 -19.541
  898   1HE2  GLN 112          1HE2      GLN 112 -11.387  29.312 -19.202
  899   2HE2  GLN 112          2HE2      GLN 112 -11.380  29.373 -17.505
  900    H    ALA 113           H        ALA 113  -8.611  31.933 -23.698
  901    HA   ALA 113           HA       ALA 113  -9.216  34.875 -23.727
  902   1HB   ALA 113          3HB       ALA 113  -7.929  35.014 -25.622
  903   2HB   ALA 113          2HB       ALA 113  -7.200  33.542 -24.977
  904   3HB   ALA 113          1HB       ALA 113  -8.455  33.436 -26.211
  905    H    LYS 114           H        LYS 114 -11.339  35.370 -24.315
  906    HA   LYS 114           HA       LYS 114 -12.894  33.255 -25.776
  907   1HB   LYS 114          1HB       LYS 114 -13.622  35.215 -23.584
  908   2HB   LYS 114          2HB       LYS 114 -14.837  34.329 -24.507
  909   1HG   LYS 114          1HG       LYS 114 -13.373  32.235 -23.858
  910   2HG   LYS 114          2HG       LYS 114 -12.807  33.286 -22.559
  911   1HD   LYS 114          1HD       LYS 114 -15.755  32.999 -23.099
  912   2HD   LYS 114          2HD       LYS 114 -14.906  31.790 -22.135
  913   1HE   LYS 114          1HE       LYS 114 -14.495  34.691 -21.471
  914   2HE   LYS 114          2HE       LYS 114 -15.984  33.887 -20.934
  915   1HZ   LYS 114          2HZ       LYS 114 -13.261  32.767 -20.546
  916   2HZ   LYS 114          1HZ       LYS 114 -14.095  33.646 -19.355
  917   3HZ   LYS 114          3HZ       LYS 114 -14.716  32.168 -19.906
  918    H    LEU 115           H        LEU 115 -12.915  34.058 -27.923
  919    HA   LEU 115           HA       LEU 115 -13.735  36.928 -28.264
  920   1HB   LEU 115          1HB       LEU 115 -11.945  35.093 -29.887
  921   2HB   LEU 115          2HB       LEU 115 -12.463  36.686 -30.443
  922    HG   LEU 115           HG       LEU 115 -11.035  36.227 -27.812
  923   1HD1  LEU 115          2HD1      LEU 115  -9.727  35.634 -29.958
  924   2HD1  LEU 115          1HD1      LEU 115  -9.797  37.358 -30.323
  925   3HD1  LEU 115          3HD1      LEU 115  -8.988  36.799 -28.859
  926   1HD2  LEU 115          3HD2      LEU 115 -11.753  38.663 -29.464
  927   2HD2  LEU 115          2HD2      LEU 115 -12.276  38.286 -27.822
  928   3HD2  LEU 115          1HD2      LEU 115 -10.594  38.714 -28.135
  929    H    THR 116           H        THR 116 -15.993  36.713 -28.643
  930    HA   THR 116           HA       THR 116 -16.755  35.006 -30.984
  931    HB   THR 116           HB       THR 116 -18.823  34.445 -29.613
  932    HG1  THR 116           HG1      THR 116 -18.765  34.909 -27.460
  933   1HG2  THR 116          3HG2      THR 116 -16.460  33.171 -29.763
  934   2HG2  THR 116          2HG2      THR 116 -16.494  33.490 -28.029
  935   3HG2  THR 116          1HG2      THR 116 -17.796  32.570 -28.781
  936    H    THR 117           H        THR 117 -17.640  36.419 -32.503
  937    HA   THR 117           HA       THR 117 -19.182  38.779 -31.467
  938    HB   THR 117           HB       THR 117 -17.624  38.403 -34.047
  939    HG1  THR 117           HG1      THR 117 -16.165  38.578 -32.437
  940   1HG2  THR 117          2HG2      THR 117 -19.512  40.002 -34.202
  941   2HG2  THR 117          1HG2      THR 117 -18.868  40.876 -32.812
  942   3HG2  THR 117          3HG2      THR 117 -17.953  40.817 -34.319

  No H/Q in entry =         942
  Start of MODEL   16
    1    H1   MET   1           H        MET   1  -4.713 -15.393 -15.107
    2    H2   MET   1           HN2      MET   1  -4.201 -14.730 -13.629
    3    HA   MET   1           HA       MET   1  -5.632 -12.848 -13.872
    4   1HB   MET   1          1HB       MET   1  -5.064 -12.893 -16.389
    5   2HB   MET   1          2HB       MET   1  -6.414 -14.017 -16.548
    6   1HG   MET   1          1HG       MET   1  -7.691 -12.167 -15.143
    7   2HG   MET   1          2HG       MET   1  -6.442 -11.116 -15.810
    8   1HE   MET   1          3HE       MET   1  -8.830 -10.097 -16.397
    9   2HE   MET   1          2HE       MET   1  -9.742 -10.517 -17.846
   10   3HE   MET   1          1HE       MET   1  -9.923 -11.488 -16.387
   11    H    ALA   2           H        ALA   2  -6.678 -14.059 -12.129
   12    HA   ALA   2           HA       ALA   2  -9.053 -15.620 -13.042
   13   1HB   ALA   2          2HB       ALA   2  -6.737 -16.822 -12.224
   14   2HB   ALA   2          1HB       ALA   2  -7.598 -16.678 -10.691
   15   3HB   ALA   2          3HB       ALA   2  -8.335 -17.545 -12.038
   16    H    GLU   3           H        GLU   3  -7.392 -14.637  -9.971
   17    HA   GLU   3           HA       GLU   3  -9.991 -13.407  -9.106
   18   1HB   GLU   3          1HB       GLU   3  -8.098 -15.332  -7.790
   19   2HB   GLU   3          2HB       GLU   3  -9.016 -14.214  -6.780
   20   1HG   GLU   3          1HG       GLU   3 -11.107 -15.001  -7.961
   21   2HG   GLU   3          2HG       GLU   3 -10.125 -16.247  -8.731
   22    H    GLN   4           H        GLN   4  -9.613 -11.708  -7.325
   23    HA   GLN   4           HA       GLN   4  -6.970 -10.342  -7.743
   24   1HB   GLN   4          1HB       GLN   4  -9.252  -9.414  -8.634
   25   2HB   GLN   4          2HB       GLN   4  -9.542  -8.989  -6.947
   26   1HG   GLN   4          1HG       GLN   4  -8.467  -7.061  -7.595
   27   2HG   GLN   4          2HG       GLN   4  -7.046  -8.024  -7.188
   28   1HE2  GLN   4          1HE2      GLN   4  -5.668  -6.988  -8.831
   29   2HE2  GLN   4          2HE2      GLN   4  -5.929  -7.254 -10.486
   30    H    ARG   5           H        ARG   5  -5.768 -10.020  -5.853
   31    HA   ARG   5           HA       ARG   5  -7.224  -9.967  -3.244
   32   1HB   ARG   5          1HB       ARG   5  -5.215 -11.917  -4.284
   33   2HB   ARG   5          2HB       ARG   5  -5.092 -11.461  -2.585
   34   1HG   ARG   5          1HG       ARG   5  -7.593 -11.964  -2.413
   35   2HG   ARG   5          2HG       ARG   5  -7.448 -12.719  -4.000
   36   1HD   ARG   5          1HD       ARG   5  -6.097 -14.454  -3.202
   37   2HD   ARG   5          2HD       ARG   5  -5.536 -13.506  -1.809
   38    HE   ARG   5           HE       ARG   5  -7.836 -13.742  -0.858
   39   1HH1  ARG   5          1HH1      ARG   5  -7.212 -16.387  -0.407
   40   2HH1  ARG   5          2HH1      ARG   5  -8.242 -17.330  -1.430
   41   1HH2  ARG   5          1HH2      ARG   5  -9.036 -14.680  -3.520
   42   2HH2  ARG   5          2HH2      ARG   5  -9.276 -16.363  -3.193
   43    H    PHE   6           H        PHE   6  -6.496  -8.178  -2.085
   44    HA   PHE   6           HA       PHE   6  -3.751  -7.137  -2.724
   45   1HB   PHE   6          1HB       PHE   6  -6.438  -5.959  -2.449
   46   2HB   PHE   6          2HB       PHE   6  -5.203  -5.093  -1.539
   47    HD1  PHE   6           HD1      PHE   6  -6.816  -5.172  -4.593
   48    HD2  PHE   6           HD2      PHE   6  -2.848  -4.943  -2.959
   49    HE1  PHE   6           HE1      PHE   6  -6.018  -4.105  -6.682
   50    HE2  PHE   6           HE2      PHE   6  -2.050  -3.878  -5.051
   51    HZ   PHE   6           HZ       PHE   6  -3.634  -3.457  -6.913
   52    H    CYS   7           H        CYS   7  -2.364  -6.732  -0.932
   53    HA   CYS   7           HA       CYS   7  -3.502  -7.279   1.796
   54   1HB   CYS   7          1HB       CYS   7  -0.868  -8.126   0.540
   55   2HB   CYS   7          2HB       CYS   7  -1.292  -8.385   2.232
   56    HG   CYS   7           HG       CYS   7  -3.451  -9.749   1.163
   57    H    VAL   8           H        VAL   8  -2.353  -6.082   3.548
   58    HA   VAL   8           HA       VAL   8  -0.949  -3.638   2.513
   59    HB   VAL   8           HB       VAL   8  -2.501  -4.146   5.079
   60   1HG1  VAL   8          2HG1      VAL   8  -0.985  -1.795   3.989
   61   2HG1  VAL   8          1HG1      VAL   8  -2.423  -1.512   4.970
   62   3HG1  VAL   8          3HG1      VAL   8  -1.059  -2.405   5.643
   63   1HG2  VAL   8          3HG2      VAL   8  -3.788  -4.086   2.861
   64   2HG2  VAL   8          2HG2      VAL   8  -4.295  -2.921   4.085
   65   3HG2  VAL   8          1HG2      VAL   8  -3.287  -2.399   2.735
   66    H    ASP   9           H        ASP   9   1.270  -3.650   2.929
   67    HA   ASP   9           HA       ASP   9   2.194  -4.886   5.497
   68   1HB   ASP   9          1HB       ASP   9   2.346  -6.220   3.188
   69   2HB   ASP   9          2HB       ASP   9   3.787  -5.222   2.986
   70    H    TYR  10           H        TYR  10   4.273  -4.023   6.239
   71    HA   TYR  10           HA       TYR  10   4.803  -1.268   5.179
   72   1HB   TYR  10          1HB       TYR  10   4.702  -2.567   7.781
   73   2HB   TYR  10          2HB       TYR  10   6.258  -1.773   7.557
   74    HD1  TYR  10           HD1      TYR  10   5.787   0.590   6.054
   75    HD2  TYR  10           HD2      TYR  10   3.237  -1.220   9.006
   76    HE1  TYR  10           HE1      TYR  10   4.740   2.790   6.498
   77    HE2  TYR  10           HE2      TYR  10   2.196   0.989   9.449
   78    HH   TYR  10           HH       TYR  10   2.032   3.325   7.700
   79    H    ALA  11           H        ALA  11   7.045  -0.620   4.769
   80    HA   ALA  11           HA       ALA  11   8.701  -2.887   3.781
   81   1HB   ALA  11          1HB       ALA  11   9.385   0.053   3.638
   82   2HB   ALA  11          2HB       ALA  11   8.157  -0.642   2.579
   83   3HB   ALA  11          3HB       ALA  11   9.818  -1.230   2.508
   84    H    LYS  12           H        LYS  12  10.720  -3.476   4.681
   85    HA   LYS  12           HA       LYS  12  11.711  -1.844   6.988
   86   1HB   LYS  12          1HB       LYS  12  10.247  -3.925   7.511
   87   2HB   LYS  12          2HB       LYS  12  11.644  -4.863   6.984
   88   1HG   LYS  12          1HG       LYS  12  12.934  -3.222   8.631
   89   2HG   LYS  12          2HG       LYS  12  11.340  -3.097   9.379
   90   1HD   LYS  12          1HD       LYS  12  11.244  -5.431   9.817
   91   2HD   LYS  12          2HD       LYS  12  12.586  -5.770   8.724
   92   1HE   LYS  12          1HE       LYS  12  13.778  -5.803  10.701
   93   2HE   LYS  12          2HE       LYS  12  13.802  -4.047  10.446
   94   1HZ   LYS  12          2HZ       LYS  12  11.736  -3.866  11.681
   95   2HZ   LYS  12          1HZ       LYS  12  11.711  -5.546  11.935
   96   3HZ   LYS  12          3HZ       LYS  12  12.929  -4.602  12.643
   97    H    ARG  13           H        ARG  13  12.598  -4.795   5.057
   98    HA   ARG  13           HA       ARG  13  15.291  -3.550   4.635
   99   1HB   ARG  13          1HB       ARG  13  14.567  -6.355   5.535
  100   2HB   ARG  13          2HB       ARG  13  16.191  -5.877   5.039
  101   1HG   ARG  13          1HG       ARG  13  14.657  -4.456   7.228
  102   2HG   ARG  13          2HG       ARG  13  15.757  -5.798   7.544
  103   1HD   ARG  13          1HD       ARG  13  16.912  -3.698   5.814
  104   2HD   ARG  13          2HD       ARG  13  16.541  -3.167   7.467
  105    HE   ARG  13           HE       ARG  13  17.962  -4.968   8.315
  106   1HH1  ARG  13          1HH1      ARG  13  19.426  -3.480   5.958
  107   2HH1  ARG  13          2HH1      ARG  13  20.211  -4.834   5.214
  108   1HH2  ARG  13          1HH2      ARG  13  18.317  -7.197   6.905
  109   2HH2  ARG  13          2HH2      ARG  13  19.583  -6.938   5.751
  110    H    GLY  14           H        GLY  14  14.944  -3.115   2.373
  111   1HA   GLY  14          2HA       GLY  14  13.946  -5.350   0.690
  112   2HA   GLY  14          1HA       GLY  14  15.565  -4.736   0.359
  113    H    THR  15           H        THR  15  15.233  -3.680  -1.629
  114    HA   THR  15           HA       THR  15  13.100  -1.561  -1.675
  115    HB   THR  15           HB       THR  15  14.769  -0.243  -2.979
  116    HG1  THR  15           HG1      THR  15  16.811  -1.050  -3.237
  117   1HG2  THR  15          3HG2      THR  15  15.191  -1.166  -0.195
  118   2HG2  THR  15          2HG2      THR  15  16.568  -0.361  -0.946
  119   3HG2  THR  15          1HG2      THR  15  15.018   0.472  -0.827
  120    H    ALA  16           H        ALA  16  11.973  -1.347  -3.704
  121    HA   ALA  16           HA       ALA  16  12.865  -2.846  -6.067
  122   1HB   ALA  16          2HB       ALA  16  10.218  -3.748  -5.062
  123   2HB   ALA  16          1HB       ALA  16  11.483  -4.671  -5.873
  124   3HB   ALA  16          3HB       ALA  16  11.622  -4.307  -4.153
  125    H    GLY  17           H        GLY  17  11.570  -2.372  -7.966
  126   1HA   GLY  17          2HA       GLY  17  10.358  -0.866  -9.291
  127   2HA   GLY  17          1HA       GLY  17  10.290   0.215  -7.901
  128    H    CYS  18           H        CYS  18   8.214   0.591  -7.224
  129    HA   CYS  18           HA       CYS  18   6.352  -1.477  -6.545
  130   1HB   CYS  18          1HB       CYS  18   4.684   0.392  -6.450
  131   2HB   CYS  18          2HB       CYS  18   6.190   0.784  -5.627
  132    H    LYS  19           H        LYS  19   4.672  -2.510  -7.698
  133    HA   LYS  19           HA       LYS  19   4.801  -2.240 -10.674
  134   1HB   LYS  19          1HB       LYS  19   4.817  -4.409  -9.122
  135   2HB   LYS  19          2HB       LYS  19   3.067  -4.227  -9.251
  136   1HG   LYS  19          1HG       LYS  19   3.570  -5.585 -11.097
  137   2HG   LYS  19          2HG       LYS  19   3.530  -3.971 -11.809
  138   1HD   LYS  19          1HD       LYS  19   5.996  -3.814 -11.543
  139   2HD   LYS  19          2HD       LYS  19   6.014  -5.458 -10.904
  140   1HE   LYS  19          1HE       LYS  19   4.620  -5.854 -13.214
  141   2HE   LYS  19          2HE       LYS  19   5.706  -4.538 -13.703
  142   1HZ   LYS  19          1HZ       LYS  19   7.530  -5.809 -12.606
  143   2HZ   LYS  19          3HZ       LYS  19   6.460  -7.114 -12.436
  144   3HZ   LYS  19          2HZ       LYS  19   6.891  -6.567 -13.986
  145    H    LYS  20           H        LYS  20   2.855  -1.828 -11.982
  146    HA   LYS  20           HA       LYS  20   0.827  -0.648 -12.411
  147   1HB   LYS  20          1HB       LYS  20   0.390  -2.409 -10.019
  148   2HB   LYS  20          2HB       LYS  20  -0.886  -1.275 -10.454
  149   1HG   LYS  20          1HG       LYS  20  -1.470  -3.180 -11.692
  150   2HG   LYS  20          2HG       LYS  20  -0.563  -2.230 -12.870
  151   1HD   LYS  20          1HD       LYS  20   1.460  -3.518 -12.405
  152   2HD   LYS  20          2HD       LYS  20   0.624  -4.422 -11.143
  153   1HE   LYS  20          1HE       LYS  20  -0.809  -5.504 -12.729
  154   2HE   LYS  20          2HE       LYS  20  -0.319  -4.395 -14.026
  155   1HZ   LYS  20          3HZ       LYS  20   1.989  -5.182 -13.692
  156   2HZ   LYS  20          2HZ       LYS  20   1.407  -6.355 -12.609
  157   3HZ   LYS  20          1HZ       LYS  20   0.947  -6.401 -14.243
  158    H    CYS  21           H        CYS  21   2.819   0.901 -11.310
  159    HA   CYS  21           HA       CYS  21   1.374   2.949  -9.764
  160   1HB   CYS  21          1HB       CYS  21   2.011   0.958  -8.299
  161   2HB   CYS  21          2HB       CYS  21   3.674   1.408  -8.549
  162    H    LYS  22           H        LYS  22   4.687   1.786 -10.786
  163    HA   LYS  22           HA       LYS  22   6.339   2.865 -12.064
  164   1HB   LYS  22          1HB       LYS  22   4.231   4.037 -13.024
  165   2HB   LYS  22          2HB       LYS  22   4.707   5.397 -12.006
  166   1HG   LYS  22          1HG       LYS  22   6.666   5.782 -13.192
  167   2HG   LYS  22          2HG       LYS  22   6.777   4.112 -13.751
  168   1HD   LYS  22          1HD       LYS  22   5.036   4.436 -15.359
  169   2HD   LYS  22          2HD       LYS  22   4.582   5.989 -14.654
  170   1HE   LYS  22          1HE       LYS  22   7.104   6.617 -15.204
  171   2HE   LYS  22          2HE       LYS  22   6.925   5.321 -16.404
  172   1HZ   LYS  22          3HZ       LYS  22   4.780   6.389 -17.045
  173   2HZ   LYS  22          2HZ       LYS  22   5.195   7.711 -16.062
  174   3HZ   LYS  22          1HZ       LYS  22   6.151   7.319 -17.410
  175    H    GLU  23           H        GLU  23   7.457   2.641  -9.874
  176    HA   GLU  23           HA       GLU  23   8.830   5.081  -9.204
  177   1HB   GLU  23          1HB       GLU  23   6.347   5.075  -8.161
  178   2HB   GLU  23          2HB       GLU  23   7.196   4.254  -6.866
  179   1HG   GLU  23          1HG       GLU  23   8.325   6.118  -6.244
  180   2HG   GLU  23          2HG       GLU  23   8.596   6.625  -7.912
  181    H    LYS  24           H        LYS  24   9.875   4.618  -6.721
  182    HA   LYS  24           HA       LYS  24  10.845   1.770  -6.798
  183   1HB   LYS  24          1HB       LYS  24  12.253   4.361  -6.047
  184   2HB   LYS  24          2HB       LYS  24  12.980   2.756  -5.962
  185   1HG   LYS  24          1HG       LYS  24  12.121   2.677  -8.505
  186   2HG   LYS  24          2HG       LYS  24  12.335   4.421  -8.349
  187   1HD   LYS  24          1HD       LYS  24  14.648   4.097  -7.605
  188   2HD   LYS  24          2HD       LYS  24  14.447   2.347  -7.690
  189   1HE   LYS  24          1HE       LYS  24  14.498   2.316 -10.009
  190   2HE   LYS  24          2HE       LYS  24  13.826   3.954 -10.146
  191   1HZ   LYS  24          3HZ       LYS  24  16.494   3.373  -8.983
  192   2HZ   LYS  24          2HZ       LYS  24  16.264   3.794 -10.613
  193   3HZ   LYS  24          1HZ       LYS  24  15.853   4.891  -9.382
  194    H    ILE  25           H        ILE  25  10.988   0.728  -4.714
  195    HA   ILE  25           HA       ILE  25   9.609   2.218  -2.506
  196    HB   ILE  25           HB       ILE  25  10.017  -0.752  -3.002
  197   1HG1  ILE  25          1HG1      ILE  25   7.515   0.947  -3.258
  198   2HG1  ILE  25          2HG1      ILE  25   8.510   0.439  -4.623
  199   1HG2  ILE  25          1HG2      ILE  25   9.770  -0.043  -0.591
  200   2HG2  ILE  25          3HG2      ILE  25   8.195   0.631  -1.013
  201   3HG2  ILE  25          2HG2      ILE  25   8.482  -1.103  -1.168
  202   1HD1  ILE  25          2HD1      ILE  25   7.424  -1.579  -2.664
  203   2HD1  ILE  25          1HD1      ILE  25   6.451  -1.018  -4.025
  204   3HD1  ILE  25          3HD1      ILE  25   7.984  -1.840  -4.317
  205    H    VAL  26           H        VAL  26  10.627   2.421  -0.464
  206    HA   VAL  26           HA       VAL  26  13.270   1.075  -0.078
  207    HB   VAL  26           HB       VAL  26  12.665   4.040   0.209
  208   1HG1  VAL  26          2HG1      VAL  26  15.143   2.385   0.745
  209   2HG1  VAL  26          1HG1      VAL  26  15.187   4.137   0.546
  210   3HG1  VAL  26          3HG1      VAL  26  14.275   3.423   1.877
  211   1HG2  VAL  26          3HG2      VAL  26  14.385   2.511  -1.773
  212   2HG2  VAL  26          2HG2      VAL  26  12.879   3.353  -2.139
  213   3HG2  VAL  26          1HG2      VAL  26  14.306   4.268  -1.652
  214    H    LYS  27           H        LYS  27  13.907   1.015   2.224
  215    HA   LYS  27           HA       LYS  27  11.900   0.294   4.066
  216   1HB   LYS  27          1HB       LYS  27  14.351  -0.065   4.338
  217   2HB   LYS  27          2HB       LYS  27  14.551   1.653   4.679
  218   1HG   LYS  27          1HG       LYS  27  12.561   0.108   6.297
  219   2HG   LYS  27          2HG       LYS  27  14.275  -0.101   6.655
  220   1HD   LYS  27          1HD       LYS  27  14.288   2.545   6.558
  221   2HD   LYS  27          2HD       LYS  27  12.573   2.349   6.918
  222   1HE   LYS  27          1HE       LYS  27  13.343   2.322   9.092
  223   2HE   LYS  27          2HE       LYS  27  13.644   0.612   8.726
  224   1HZ   LYS  27          3HZ       LYS  27  15.845   1.248   7.885
  225   2HZ   LYS  27          2HZ       LYS  27  15.561   2.855   8.358
  226   3HZ   LYS  27          1HZ       LYS  27  15.667   1.629   9.528
  227    H    GLY  28           H        GLY  28  10.464   1.417   5.422
  228   1HA   GLY  28          2HA       GLY  28  10.891   4.346   5.753
  229   2HA   GLY  28          1HA       GLY  28   9.917   3.340   6.816
  230    H    VAL  29           H        VAL  29   8.892   2.229   3.882
  231    HA   VAL  29           HA       VAL  29   6.811   4.372   3.694
  232    HB   VAL  29           HB       VAL  29   8.564   4.370   1.872
  233   1HG1  VAL  29          2HG1      VAL  29   8.813   1.857   1.789
  234   2HG1  VAL  29          1HG1      VAL  29   7.233   1.783   1.013
  235   3HG1  VAL  29          3HG1      VAL  29   8.572   2.606   0.214
  236   1HG2  VAL  29          3HG2      VAL  29   5.633   3.975   1.380
  237   2HG2  VAL  29          2HG2      VAL  29   6.611   5.431   1.196
  238   3HG2  VAL  29          1HG2      VAL  29   6.716   4.140  -0.002
  239    H    CYS  30           H        CYS  30   4.690   3.609   3.796
  240    HA   CYS  30           HA       CYS  30   4.210   0.752   4.260
  241   1HB   CYS  30          1HB       CYS  30   2.913   2.731   5.231
  242   2HB   CYS  30          2HB       CYS  30   2.176   2.922   3.640
  243    HG   CYS  30           HG       CYS  30   1.676   0.539   5.570
  244    H    ARG  31           H        ARG  31   3.299  -0.773   2.761
  245    HA   ARG  31           HA       ARG  31   2.654   0.242   0.036
  246   1HB   ARG  31          1HB       ARG  31   4.224  -1.427  -0.927
  247   2HB   ARG  31          2HB       ARG  31   5.060  -0.255   0.089
  248   1HG   ARG  31          1HG       ARG  31   4.970  -1.877   1.980
  249   2HG   ARG  31          2HG       ARG  31   4.224  -3.056   0.902
  250   1HD   ARG  31          1HD       ARG  31   6.184  -3.263  -0.417
  251   2HD   ARG  31          2HD       ARG  31   6.873  -1.759   0.225
  252    HE   ARG  31           HE       ARG  31   6.968  -2.962   2.466
  253   1HH1  ARG  31          1HH1      ARG  31   8.606  -4.100  -0.038
  254   2HH1  ARG  31          2HH1      ARG  31   8.555  -5.782   0.370
  255   1HH2  ARG  31          1HH2      ARG  31   6.112  -5.392   2.799
  256   2HH2  ARG  31          2HH2      ARG  31   7.142  -6.514   1.974
  257    H    ILE  32           H        ILE  32   1.409  -1.284  -1.261
  258    HA   ILE  32           HA       ILE  32  -0.016  -3.321   0.417
  259    HB   ILE  32           HB       ILE  32  -0.784  -2.132  -2.279
  260   1HG1  ILE  32          1HG1      ILE  32  -2.317  -1.223   0.065
  261   2HG1  ILE  32          2HG1      ILE  32  -0.630  -0.724   0.142
  262   1HG2  ILE  32          3HG2      ILE  32  -1.775  -4.347  -1.311
  263   2HG2  ILE  32          2HG2      ILE  32  -2.646  -3.278  -0.212
  264   3HG2  ILE  32          1HG2      ILE  32  -2.873  -3.127  -1.954
  265   1HD1  ILE  32          3HD1      ILE  32  -2.054  -0.391  -2.464
  266   2HD1  ILE  32          2HD1      ILE  32  -2.455   0.729  -1.162
  267   3HD1  ILE  32          1HD1      ILE  32  -0.793   0.606  -1.740
  268    H    GLY  33           H        GLY  33  -0.145  -5.508  -0.335
  269   1HA   GLY  33          2HA       GLY  33   1.248  -7.283  -1.293
  270   2HA   GLY  33          1HA       GLY  33   1.677  -6.175  -2.599
  271    H    LYS  34           H        LYS  34   0.787  -7.262  -4.426
  272    HA   LYS  34           HA       LYS  34  -2.167  -7.801  -4.277
  273   1HB   LYS  34          1HB       LYS  34  -1.372  -5.874  -5.684
  274   2HB   LYS  34          2HB       LYS  34  -0.455  -7.023  -6.660
  275   1HG   LYS  34          1HG       LYS  34  -2.425  -8.113  -7.426
  276   2HG   LYS  34          2HG       LYS  34  -3.421  -7.347  -6.189
  277   1HD   LYS  34          1HD       LYS  34  -3.950  -5.870  -7.837
  278   2HD   LYS  34          2HD       LYS  34  -2.382  -5.155  -7.464
  279   1HE   LYS  34          1HE       LYS  34  -1.329  -6.195  -9.300
  280   2HE   LYS  34          2HE       LYS  34  -2.602  -7.423  -9.447
  281   1HZ   LYS  34          3HZ       LYS  34  -3.140  -4.525  -9.764
  282   2HZ   LYS  34          2HZ       LYS  34  -2.729  -5.520 -11.077
  283   3HZ   LYS  34          1HZ       LYS  34  -4.143  -5.825 -10.187
  284    H    VAL  35           H        VAL  35  -2.676  -9.977  -4.508
  285    HA   VAL  35           HA       VAL  35  -0.583 -11.801  -5.614
  286    HB   VAL  35           HB       VAL  35  -3.229 -12.347  -4.218
  287   1HG1  VAL  35          2HG1      VAL  35  -0.886 -14.148  -4.905
  288   2HG1  VAL  35          1HG1      VAL  35  -2.244 -14.616  -3.880
  289   3HG1  VAL  35          3HG1      VAL  35  -2.512 -14.243  -5.583
  290   1HG2  VAL  35          3HG2      VAL  35  -0.449 -11.822  -3.268
  291   2HG2  VAL  35          2HG2      VAL  35  -1.989 -11.447  -2.494
  292   3HG2  VAL  35          1HG2      VAL  35  -1.353 -13.092  -2.443
  293    H    VAL  36           H        VAL  36  -0.710 -12.101  -7.844
  294    HA   VAL  36           HA       VAL  36  -3.452 -12.308  -9.050
  295    HB   VAL  36           HB       VAL  36  -0.827 -11.331 -10.227
  296   1HG1  VAL  36          1HG1      VAL  36  -2.413 -12.435 -11.842
  297   2HG1  VAL  36          3HG1      VAL  36  -3.622 -11.230 -11.399
  298   3HG1  VAL  36          2HG1      VAL  36  -2.123 -10.729 -12.184
  299   1HG2  VAL  36          1HG2      VAL  36  -1.917  -9.828  -8.520
  300   2HG2  VAL  36          3HG2      VAL  36  -1.814  -9.120 -10.131
  301   3HG2  VAL  36          2HG2      VAL  36  -3.345  -9.779  -9.553
  302    HA   PRO  37           HA       PRO  37  -1.788 -16.434  -9.861
  303   1HB   PRO  37          1HB       PRO  37  -4.058 -17.497 -10.957
  304   2HB   PRO  37          2HB       PRO  37  -3.825 -17.318  -9.207
  305   1HG   PRO  37          1HG       PRO  37  -5.394 -15.637 -11.089
  306   2HG   PRO  37          2HG       PRO  37  -5.755 -16.103  -9.420
  307   1HD   PRO  37          1HD       PRO  37  -4.778 -13.652 -10.141
  308   2HD   PRO  37          2HD       PRO  37  -4.535 -14.384  -8.542
  309    H    ASN  38           H        ASN  38  -0.936 -17.392 -11.796
  310    HA   ASN  38           HA       ASN  38  -1.381 -15.786 -14.285
  311   1HB   ASN  38          1HB       ASN  38   0.902 -16.499 -13.002
  312   2HB   ASN  38          2HB       ASN  38   0.741 -17.863 -14.108
  313   1HD2  ASN  38          2HD2      ASN  38   2.127 -17.402 -15.877
  314   2HD2  ASN  38          1HD2      ASN  38   2.158 -15.913 -16.692
  315    HA   PRO  39           HA       PRO  39  -3.568 -19.219 -16.023
  316   1HB   PRO  39          1HB       PRO  39  -3.255 -18.688 -18.688
  317   2HB   PRO  39          2HB       PRO  39  -4.356 -17.767 -17.644
  318   1HG   PRO  39          1HG       PRO  39  -1.643 -17.056 -18.627
  319   2HG   PRO  39          2HG       PRO  39  -3.065 -16.029 -18.389
  320   1HD   PRO  39          1HD       PRO  39  -0.948 -16.140 -16.656
  321   2HD   PRO  39          2HD       PRO  39  -2.596 -15.676 -16.183
  322    H    PHE  40           H        PHE  40  -1.506 -20.501 -15.127
  323    HA   PHE  40           HA       PHE  40  -0.404 -22.033 -17.417
  324   1HB   PHE  40          1HB       PHE  40   1.113 -20.101 -17.059
  325   2HB   PHE  40          2HB       PHE  40   1.315 -20.583 -15.375
  326    HD1  PHE  40           HD1      PHE  40   2.376 -22.798 -14.832
  327    HD2  PHE  40           HD2      PHE  40   2.315 -21.190 -18.815
  328    HE1  PHE  40           HE1      PHE  40   4.180 -24.365 -15.493
  329    HE2  PHE  40           HE2      PHE  40   4.121 -22.757 -19.476
  330    HZ   PHE  40           HZ       PHE  40   5.053 -24.345 -17.814
  331    H    SER  41           H        SER  41   0.164 -21.606 -13.857
  332    HA   SER  41           HA       SER  41  -0.257 -24.566 -13.571
  333   1HB   SER  41          1HB       SER  41   2.060 -23.962 -13.226
  334   2HB   SER  41          2HB       SER  41   1.606 -22.609 -12.192
  335    HG   SER  41           HG       SER  41   2.273 -24.549 -11.064
  336    H    GLU  42           H        GLU  42  -1.601 -25.226 -11.804
  337    HA   GLU  42           HA       GLU  42  -3.149 -23.013 -10.532
  338   1HB   GLU  42          1HB       GLU  42  -4.824 -24.743 -10.108
  339   2HB   GLU  42          2HB       GLU  42  -4.324 -24.802 -11.795
  340   1HG   GLU  42          1HG       GLU  42  -2.663 -26.507 -10.086
  341   2HG   GLU  42          2HG       GLU  42  -4.365 -26.954 -10.023
  342    H    SER  43           H        SER  43  -0.803 -25.518  -9.644
  343    HA   SER  43           HA       SER  43  -1.504 -25.323  -6.767
  344   1HB   SER  43          1HB       SER  43   0.948 -26.675  -7.873
  345   2HB   SER  43          2HB       SER  43  -0.060 -27.153  -6.510
  346    HG   SER  43           HG       SER  43  -0.401 -28.449  -8.384
  347    H    GLY  44           H        GLY  44   1.168 -24.316  -8.958
  348   1HA   GLY  44          2HA       GLY  44   3.222 -23.359  -7.736
  349   2HA   GLY  44          1HA       GLY  44   2.043 -22.440  -6.799
  350    H    GLY  45           H        GLY  45   0.417 -21.147  -8.322
  351   1HA   GLY  45          2HA       GLY  45   0.474 -20.286 -10.789
  352   2HA   GLY  45          1HA       GLY  45   2.109 -19.779 -10.362
  353    H    ASP  46           H        ASP  46   2.263 -18.242  -8.425
  354    HA   ASP  46           HA       ASP  46  -0.010 -16.311  -8.537
  355   1HB   ASP  46          1HB       ASP  46   1.146 -17.727  -6.130
  356   2HB   ASP  46          2HB       ASP  46   0.281 -16.198  -5.968
  357    H    MET  47           H        MET  47   0.752 -14.160  -8.543
  358    HA   MET  47           HA       MET  47   3.680 -13.780  -7.990
  359   1HB   MET  47          1HB       MET  47   2.606 -13.546 -10.357
  360   2HB   MET  47          2HB       MET  47   1.952 -12.029  -9.736
  361   1HG   MET  47          1HG       MET  47   4.126 -11.139  -9.333
  362   2HG   MET  47          2HG       MET  47   4.890 -12.714  -9.539
  363   1HE   MET  47          1HE       MET  47   6.290 -11.017 -10.540
  364   2HE   MET  47          3HE       MET  47   6.649 -11.851 -12.057
  365   3HE   MET  47          2HE       MET  47   6.065 -10.190 -12.080
  366    H    LYS  48           H        LYS  48   4.264 -12.017  -6.621
  367    HA   LYS  48           HA       LYS  48   1.982 -10.430  -5.480
  368   1HB   LYS  48          1HB       LYS  48   2.866 -12.212  -3.989
  369   2HB   LYS  48          2HB       LYS  48   4.476 -11.504  -4.123
  370   1HG   LYS  48          1HG       LYS  48   3.060  -9.309  -3.386
  371   2HG   LYS  48          2HG       LYS  48   2.119 -10.566  -2.582
  372   1HD   LYS  48          1HD       LYS  48   5.118 -10.560  -2.358
  373   2HD   LYS  48          2HD       LYS  48   4.154  -9.508  -1.322
  374   1HE   LYS  48          1HE       LYS  48   3.071 -11.331  -0.273
  375   2HE   LYS  48          2HE       LYS  48   3.518 -12.455  -1.572
  376   1HZ   LYS  48          1HZ       LYS  48   5.880 -11.987  -0.998
  377   2HZ   LYS  48          3HZ       LYS  48   5.341 -11.138   0.368
  378   3HZ   LYS  48          2HZ       LYS  48   5.026 -12.801   0.225
  379    H    GLU  49           H        GLU  49   2.258  -8.246  -5.974
  380    HA   GLU  49           HA       GLU  49   5.073  -7.245  -6.269
  381   1HB   GLU  49          1HB       GLU  49   2.450  -6.545  -7.615
  382   2HB   GLU  49          2HB       GLU  49   3.888  -5.534  -7.759
  383   1HG   GLU  49          1HG       GLU  49   3.817  -8.480  -8.464
  384   2HG   GLU  49          2HG       GLU  49   3.624  -7.181  -9.641
  385    H    TRP  50           H        TRP  50   5.517  -5.165  -5.244
  386    HA   TRP  50           HA       TRP  50   3.629  -4.537  -3.032
  387   1HB   TRP  50          1HB       TRP  50   6.460  -3.734  -3.733
  388   2HB   TRP  50          2HB       TRP  50   5.585  -2.994  -2.391
  389    HD1  TRP  50           HD1      TRP  50   8.022  -5.489  -2.787
  390    HE1  TRP  50           HE1      TRP  50   7.845  -7.381  -1.048
  391    HE3  TRP  50           HE3      TRP  50   3.259  -4.692  -1.081
  392    HZ2  TRP  50           HZ2      TRP  50   5.944  -8.421   0.817
  393    HZ3  TRP  50           HZ3      TRP  50   2.301  -6.148   0.676
  394    HH2  TRP  50           HH2      TRP  50   3.634  -8.011   1.625
  395    H    TYR  51           H        TYR  51   3.087  -2.185  -2.609
  396    HA   TYR  51           HA       TYR  51   3.016  -0.538  -5.115
  397   1HB   TYR  51          1HB       TYR  51   0.801  -1.543  -3.329
  398   2HB   TYR  51          2HB       TYR  51   0.589  -0.056  -4.246
  399    HD1  TYR  51           HD1      TYR  51  -0.002  -0.119  -6.519
  400    HD2  TYR  51           HD2      TYR  51   1.467  -3.668  -4.609
  401    HE1  TYR  51           HE1      TYR  51  -0.626  -1.426  -8.490
  402    HE2  TYR  51           HE2      TYR  51   0.855  -4.999  -6.601
  403    HH   TYR  51           HH       TYR  51  -1.222  -4.013  -8.897
  404    H    HIS  52           H        HIS  52   2.119   1.758  -4.487
  405    HA   HIS  52           HA       HIS  52   3.283   2.612  -1.850
  406   1HB   HIS  52          1HB       HIS  52   2.901   3.853  -4.564
  407   2HB   HIS  52          2HB       HIS  52   3.062   4.890  -3.149
  408    HD2  HIS  52           HD2      HIS  52   5.523   3.689  -1.539
  409    HE1  HIS  52           HE1      HIS  52   7.582   3.399  -5.223
  410    HE2  HIS  52           HE2      HIS  52   7.812   3.419  -2.719
  411    H    ILE  53           H        ILE  53   2.018   4.896  -1.245
  412    HA   ILE  53           HA       ILE  53  -0.868   4.132  -1.111
  413    HB   ILE  53           HB       ILE  53   0.699   6.279   0.359
  414   1HG1  ILE  53          1HG1      ILE  53   1.499   3.991   0.879
  415   2HG1  ILE  53          2HG1      ILE  53   0.662   4.699   2.259
  416   1HG2  ILE  53          3HG2      ILE  53  -2.124   5.749   0.114
  417   2HG2  ILE  53          2HG2      ILE  53  -1.621   5.389   1.768
  418   3HG2  ILE  53          1HG2      ILE  53  -1.314   6.983   1.086
  419   1HD1  ILE  53          1HD1      ILE  53  -1.365   3.438   0.790
  420   2HD1  ILE  53          3HD1      ILE  53  -0.007   2.311   0.732
  421   3HD1  ILE  53          2HD1      ILE  53  -0.638   2.853   2.288
  422    H    LYS  54           H        LYS  54   1.001   7.211  -1.583
  423    HA   LYS  54           HA       LYS  54  -1.294   8.392  -3.015
  424   1HB   LYS  54          1HB       LYS  54   0.815   9.389  -1.559
  425   2HB   LYS  54          2HB       LYS  54   1.364   9.686  -3.208
  426   1HG   LYS  54          1HG       LYS  54  -1.419  10.439  -2.308
  427   2HG   LYS  54          2HG       LYS  54  -0.051  11.533  -2.100
  428   1HD   LYS  54          1HD       LYS  54   0.270  11.784  -4.404
  429   2HD   LYS  54          2HD       LYS  54  -0.565  10.277  -4.782
  430   1HE   LYS  54          1HE       LYS  54  -2.050  12.094  -5.396
  431   2HE   LYS  54          2HE       LYS  54  -2.699  11.380  -3.906
  432   1HZ   LYS  54          3HZ       LYS  54  -0.831  13.690  -4.010
  433   2HZ   LYS  54          2HZ       LYS  54  -2.508  13.815  -3.762
  434   3HZ   LYS  54          1HZ       LYS  54  -1.532  13.027  -2.615
  435    H    CYS  55           H        CYS  55   1.968   7.211  -3.882
  436    HA   CYS  55           HA       CYS  55   1.755   7.814  -6.696
  437   1HB   CYS  55          1HB       CYS  55   3.901   7.388  -5.658
  438   2HB   CYS  55          2HB       CYS  55   3.378   5.818  -5.086
  439    H    MET  56           H        MET  56   0.463   5.124  -4.759
  440    HA   MET  56           HA       MET  56  -0.277   3.533  -7.154
  441   1HB   MET  56          1HB       MET  56   0.274   2.567  -4.874
  442   2HB   MET  56          2HB       MET  56  -1.212   3.285  -4.274
  443   1HG   MET  56          1HG       MET  56  -1.376   1.593  -6.731
  444   2HG   MET  56          2HG       MET  56  -1.154   0.779  -5.183
  445   1HE   MET  56          3HE       MET  56  -3.594   0.325  -7.065
  446   2HE   MET  56          2HE       MET  56  -3.386  -0.480  -5.512
  447   3HE   MET  56          1HE       MET  56  -4.926   0.284  -5.900
  448    H    PHE  57           H        PHE  57  -2.060   5.273  -4.549
  449    HA   PHE  57           HA       PHE  57  -4.625   5.120  -5.822
  450   1HB   PHE  57          1HB       PHE  57  -3.357   6.811  -3.703
  451   2HB   PHE  57          2HB       PHE  57  -4.882   7.372  -4.382
  452    HD1  PHE  57           HD1      PHE  57  -3.243   4.647  -2.478
  453    HD2  PHE  57           HD2      PHE  57  -6.952   6.132  -4.050
  454    HE1  PHE  57           HE1      PHE  57  -4.467   3.017  -1.095
  455    HE2  PHE  57           HE2      PHE  57  -8.187   4.491  -2.662
  456    HZ   PHE  57           HZ       PHE  57  -6.945   2.933  -1.186
  457    H    GLU  58           H        GLU  58  -1.851   7.270  -6.439
  458    HA   GLU  58           HA       GLU  58  -3.250   9.348  -7.853
  459   1HB   GLU  58          1HB       GLU  58  -0.852   9.430  -7.164
  460   2HB   GLU  58          2HB       GLU  58  -0.483   8.195  -8.370
  461   1HG   GLU  58          1HG       GLU  58  -0.037  10.035  -9.666
  462   2HG   GLU  58          2HG       GLU  58  -1.777   9.968  -9.941
  463    H    LYS  59           H        LYS  59  -2.026   6.150  -8.931
  464    HA   LYS  59           HA       LYS  59  -2.704   6.554 -11.734
  465   1HB   LYS  59          1HB       LYS  59  -1.175   4.771 -10.609
  466   2HB   LYS  59          2HB       LYS  59  -2.670   3.883 -10.311
  467   1HG   LYS  59          1HG       LYS  59  -3.182   3.890 -12.709
  468   2HG   LYS  59          2HG       LYS  59  -1.729   4.837 -13.032
  469   1HD   LYS  59          1HD       LYS  59  -0.439   2.927 -11.882
  470   2HD   LYS  59          2HD       LYS  59  -1.921   1.986 -12.056
  471   1HE   LYS  59          1HE       LYS  59  -0.999   3.419 -14.498
  472   2HE   LYS  59          2HE       LYS  59  -0.022   2.033 -13.979
  473   1HZ   LYS  59          1HZ       LYS  59  -2.049   0.722 -13.793
  474   2HZ   LYS  59          3HZ       LYS  59  -2.974   2.040 -14.325
  475   3HZ   LYS  59          2HZ       LYS  59  -1.859   1.307 -15.377
  476    H    LEU  60           H        LEU  60  -4.476   5.140  -8.955
  477    HA   LEU  60           HA       LEU  60  -6.794   4.259 -10.424
  478   1HB   LEU  60          1HB       LEU  60  -6.166   5.013  -7.586
  479   2HB   LEU  60          2HB       LEU  60  -7.863   4.846  -8.037
  480    HG   LEU  60           HG       LEU  60  -7.085   2.593  -9.119
  481   1HD1  LEU  60          1HD1      LEU  60  -4.850   3.237  -7.180
  482   2HD1  LEU  60          3HD1      LEU  60  -5.195   1.602  -7.742
  483   3HD1  LEU  60          2HD1      LEU  60  -4.705   2.845  -8.894
  484   1HD2  LEU  60          2HD2      LEU  60  -7.627   3.282  -6.267
  485   2HD2  LEU  60          1HD2      LEU  60  -8.554   2.267  -7.371
  486   3HD2  LEU  60          3HD2      LEU  60  -7.092   1.637  -6.611
  487    H    GLU  61           H        GLU  61  -6.001   7.428  -8.915
  488    HA   GLU  61           HA       GLU  61  -8.477   8.761  -9.432
  489   1HB   GLU  61          1HB       GLU  61  -6.434   9.593  -8.133
  490   2HB   GLU  61          2HB       GLU  61  -5.717   9.995  -9.694
  491   1HG   GLU  61          1HG       GLU  61  -8.052  11.209 -10.068
  492   2HG   GLU  61          2HG       GLU  61  -8.054  11.245  -8.305
  493    H    ARG  62           H        ARG  62  -5.745   8.037 -11.617
  494    HA   ARG  62           HA       ARG  62  -7.173   9.431 -13.847
  495   1HB   ARG  62          1HB       ARG  62  -4.346   8.430 -13.392
  496   2HB   ARG  62          2HB       ARG  62  -4.903   8.994 -14.971
  497   1HG   ARG  62          1HG       ARG  62  -5.228  11.193 -14.215
  498   2HG   ARG  62          2HG       ARG  62  -5.302  10.700 -12.523
  499   1HD   ARG  62          1HD       ARG  62  -3.142  11.751 -12.878
  500   2HD   ARG  62          2HD       ARG  62  -2.854  10.006 -12.739
  501    HE   ARG  62           HE       ARG  62  -2.905  11.527 -15.307
  502   1HH1  ARG  62          1HH1      ARG  62  -0.844   9.656 -13.654
  503   2HH1  ARG  62          2HH1      ARG  62  -0.672   8.398 -14.830
  504   1HH2  ARG  62          1HH2      ARG  62  -3.342   9.476 -16.763
  505   2HH2  ARG  62          2HH2      ARG  62  -2.085   8.296 -16.592
  506    H    ALA  63           H        ALA  63  -7.997   6.693 -12.723
  507    HA   ALA  63           HA       ALA  63  -7.413   5.021 -15.144
  508   1HB   ALA  63          3HB       ALA  63  -6.849   4.440 -12.600
  509   2HB   ALA  63          2HB       ALA  63  -8.537   3.931 -12.590
  510   3HB   ALA  63          1HB       ALA  63  -7.399   3.189 -13.714
  511    H    ARG  64           H        ARG  64  -9.335   3.511 -15.716
  512    HA   ARG  64           HA       ARG  64 -11.707   5.073 -16.216
  513   1HB   ARG  64          1HB       ARG  64 -10.892   2.200 -16.456
  514   2HB   ARG  64          2HB       ARG  64 -12.612   2.574 -16.571
  515   1HG   ARG  64          1HG       ARG  64 -12.377   3.698 -18.555
  516   2HG   ARG  64          2HG       ARG  64 -10.778   4.314 -18.136
  517   1HD   ARG  64          1HD       ARG  64 -10.113   1.737 -18.324
  518   2HD   ARG  64          2HD       ARG  64 -11.524   1.705 -19.400
  519    HE   ARG  64           HE       ARG  64  -9.012   3.076 -19.944
  520   1HH1  ARG  64          1HH1      ARG  64 -11.176   1.853 -21.823
  521   2HH1  ARG  64          2HH1      ARG  64 -11.671   3.278 -22.675
  522   1HH2  ARG  64          1HH2      ARG  64 -10.185   5.461 -20.428
  523   2HH2  ARG  64          2HH2      ARG  64 -11.111   5.320 -21.885
  524    H    ALA  65           H        ALA  65 -13.879   4.816 -15.276
  525    HA   ALA  65           HA       ALA  65 -13.782   4.294 -12.357
  526   1HB   ALA  65          1HB       ALA  65 -15.818   5.412 -14.296
  527   2HB   ALA  65          3HB       ALA  65 -16.230   5.092 -12.611
  528   3HB   ALA  65          2HB       ALA  65 -14.964   6.255 -13.003
  529    H    THR  66           H        THR  66 -15.255   2.818 -15.274
  530    HA   THR  66           HA       THR  66 -17.131   1.056 -14.142
  531    HB   THR  66           HB       THR  66 -16.077  -0.522 -16.062
  532    HG1  THR  66           HG1      THR  66 -14.251   0.630 -16.443
  533   1HG2  THR  66          3HG2      THR  66 -17.759   1.951 -16.169
  534   2HG2  THR  66          2HG2      THR  66 -17.283   1.190 -17.688
  535   3HG2  THR  66          1HG2      THR  66 -18.207   0.276 -16.496
  536    H    THR  67           H        THR  67 -13.563   0.719 -14.064
  537    HA   THR  67           HA       THR  67 -13.883  -1.891 -12.626
  538    HB   THR  67           HB       THR  67 -11.412  -0.537 -13.763
  539    HG1  THR  67           HG1      THR  67 -11.757  -1.755 -15.551
  540   1HG2  THR  67          2HG2      THR  67 -11.975  -3.344 -12.774
  541   2HG2  THR  67          1HG2      THR  67 -10.523  -2.887 -13.664
  542   3HG2  THR  67          3HG2      THR  67 -10.846  -2.179 -12.081
  543    H    LYS  68           H        LYS  68 -13.823  -1.756 -10.383
  544    HA   LYS  68           HA       LYS  68 -12.280   0.516  -9.168
  545   1HB   LYS  68          1HB       LYS  68 -14.816  -0.955  -8.436
  546   2HB   LYS  68          2HB       LYS  68 -13.945   0.009  -7.244
  547   1HG   LYS  68          1HG       LYS  68 -14.416   1.333  -9.857
  548   2HG   LYS  68          2HG       LYS  68 -15.858   1.030  -8.885
  549   1HD   LYS  68          1HD       LYS  68 -14.217   1.989  -6.961
  550   2HD   LYS  68          2HD       LYS  68 -13.568   2.850  -8.357
  551   1HE   LYS  68          1HE       LYS  68 -15.431   4.159  -8.564
  552   2HE   LYS  68          2HE       LYS  68 -16.528   2.814  -8.192
  553   1HZ   LYS  68          1HZ       LYS  68 -14.769   4.140  -6.198
  554   2HZ   LYS  68          3HZ       LYS  68 -16.415   4.499  -6.398
  555   3HZ   LYS  68          2HZ       LYS  68 -15.940   2.948  -5.890
  556    H    LYS  69           H        LYS  69 -10.814  -0.015  -7.452
  557    HA   LYS  69           HA       LYS  69 -10.638  -2.897  -6.663
  558   1HB   LYS  69          1HB       LYS  69  -8.683  -1.137  -8.074
  559   2HB   LYS  69          2HB       LYS  69  -8.035  -2.240  -6.859
  560   1HG   LYS  69          1HG       LYS  69  -8.564  -4.112  -8.074
  561   2HG   LYS  69          2HG       LYS  69 -10.014  -3.380  -8.764
  562   1HD   LYS  69          1HD       LYS  69  -8.441  -3.605 -10.564
  563   2HD   LYS  69          2HD       LYS  69  -8.474  -1.894 -10.135
  564   1HE   LYS  69          1HE       LYS  69  -6.320  -1.922  -9.352
  565   2HE   LYS  69          2HE       LYS  69  -6.496  -3.543  -8.650
  566   1HZ   LYS  69          3HZ       LYS  69  -6.446  -3.037 -11.572
  567   2HZ   LYS  69          2HZ       LYS  69  -5.055  -3.431 -10.681
  568   3HZ   LYS  69          1HZ       LYS  69  -6.344  -4.533 -10.780
  569    H    ILE  70           H        ILE  70  -9.599  -3.197  -4.536
  570    HA   ILE  70           HA       ILE  70  -9.203  -2.582  -2.295
  571    HB   ILE  70           HB       ILE  70  -8.134  -0.123  -3.725
  572   1HG1  ILE  70          1HG1      ILE  70  -6.699  -2.654  -2.863
  573   2HG1  ILE  70          2HG1      ILE  70  -7.225  -2.332  -4.516
  574   1HG2  ILE  70          3HG2      ILE  70  -7.643  -1.267  -0.962
  575   2HG2  ILE  70          2HG2      ILE  70  -6.612  -0.046  -1.706
  576   3HG2  ILE  70          1HG2      ILE  70  -8.301   0.320  -1.359
  577   1HD1  ILE  70          3HD1      ILE  70  -5.901  -0.039  -4.052
  578   2HD1  ILE  70          2HD1      ILE  70  -5.009  -1.095  -2.957
  579   3HD1  ILE  70          1HD1      ILE  70  -5.096  -1.479  -4.677
  580    H    GLU  71           H        GLU  71 -11.351  -2.316  -1.450
  581    HA   GLU  71           HA       GLU  71 -12.488   0.457  -1.643
  582   1HB   GLU  71          1HB       GLU  71 -13.731  -2.285  -1.286
  583   2HB   GLU  71          2HB       GLU  71 -14.645  -0.784  -1.143
  584   1HG   GLU  71          1HG       GLU  71 -12.964  -1.089  -3.579
  585   2HG   GLU  71          2HG       GLU  71 -14.401  -2.108  -3.477
  586    H    ASP  72           H        ASP  72 -12.826   1.570   0.315
  587    HA   ASP  72           HA       ASP  72 -12.670   2.018   2.624
  588   1HB   ASP  72          1HB       ASP  72 -14.527   0.098   2.155
  589   2HB   ASP  72          2HB       ASP  72 -13.460  -0.780   3.250
  590    H    LEU  73           H        LEU  73 -11.766   0.852   4.831
  591    HA   LEU  73           HA       LEU  73  -9.118  -0.340   4.073
  592   1HB   LEU  73          1HB       LEU  73  -9.070   1.930   5.049
  593   2HB   LEU  73          2HB       LEU  73  -9.971   1.351   6.448
  594    HG   LEU  73           HG       LEU  73  -8.121  -0.238   6.950
  595   1HD1  LEU  73          3HD1      LEU  73  -7.123   0.897   4.387
  596   2HD1  LEU  73          2HD1      LEU  73  -5.918   0.622   5.646
  597   3HD1  LEU  73          1HD1      LEU  73  -6.906  -0.717   5.063
  598   1HD2  LEU  73          1HD2      LEU  73  -7.478   2.711   6.715
  599   2HD2  LEU  73          3HD2      LEU  73  -8.061   1.842   8.135
  600   3HD2  LEU  73          2HD2      LEU  73  -6.420   1.573   7.548
  601    H    THR  74           H        THR  74 -10.204  -2.538   4.166
  602    HA   THR  74           HA       THR  74  -9.861  -3.771   6.774
  603    HB   THR  74           HB       THR  74 -12.581  -4.369   6.362
  604    HG1  THR  74           HG1      THR  74 -13.551  -2.411   6.091
  605   1HG2  THR  74          3HG2      THR  74 -10.942  -2.815   8.292
  606   2HG2  THR  74          2HG2      THR  74 -12.683  -2.540   8.341
  607   3HG2  THR  74          1HG2      THR  74 -12.040  -4.165   8.576
  608    H    GLU  75           H        GLU  75 -11.780  -4.196   3.728
  609    HA   GLU  75           HA       GLU  75 -11.725  -7.020   3.568
  610   1HB   GLU  75          1HB       GLU  75 -11.768  -4.772   1.584
  611   2HB   GLU  75          2HB       GLU  75 -11.530  -6.409   0.972
  612   1HG   GLU  75          1HG       GLU  75 -13.568  -7.063   2.391
  613   2HG   GLU  75          2HG       GLU  75 -13.871  -5.332   2.548
  614    H    LEU  76           H        LEU  76  -9.129  -4.711   2.680
  615    HA   LEU  76           HA       LEU  76  -7.366  -6.639   1.447
  616   1HB   LEU  76          1HB       LEU  76  -7.222  -3.869   2.455
  617   2HB   LEU  76          2HB       LEU  76  -5.708  -4.748   2.647
  618    HG   LEU  76           HG       LEU  76  -6.084  -5.494   0.187
  619   1HD1  LEU  76          3HD1      LEU  76  -7.890  -3.063   0.372
  620   2HD1  LEU  76          2HD1      LEU  76  -7.355  -3.805  -1.136
  621   3HD1  LEU  76          1HD1      LEU  76  -8.389  -4.706  -0.027
  622   1HD2  LEU  76          2HD2      LEU  76  -5.367  -2.670   1.019
  623   2HD2  LEU  76          1HD2      LEU  76  -4.268  -4.026   0.765
  624   3HD2  LEU  76          3HD2      LEU  76  -5.095  -3.292  -0.609
  625    H    GLU  77           H        GLU  77  -5.525  -7.782   2.402
  626    HA   GLU  77           HA       GLU  77  -5.951  -8.404   5.302
  627   1HB   GLU  77          1HB       GLU  77  -6.015 -10.222   3.597
  628   2HB   GLU  77          2HB       GLU  77  -4.358  -9.823   3.138
  629   1HG   GLU  77          1HG       GLU  77  -3.462 -10.723   5.056
  630   2HG   GLU  77          2HG       GLU  77  -4.876 -10.319   6.031
  631    H    GLY  78           H        GLY  78  -4.580  -7.270   6.694
  632   1HA   GLY  78          2HA       GLY  78  -1.936  -6.409   5.640
  633   2HA   GLY  78          1HA       GLY  78  -1.979  -7.377   7.110
  634    H    TRP  79           H        TRP  79  -4.357  -4.833   6.238
  635    HA   TRP  79           HA       TRP  79  -3.249  -2.629   7.610
  636   1HB   TRP  79          1HB       TRP  79  -5.590  -1.844   7.838
  637   2HB   TRP  79          2HB       TRP  79  -5.301  -2.539   6.246
  638    HD1  TRP  79           HD1      TRP  79  -6.654  -4.642   5.569
  639    HE1  TRP  79           HE1      TRP  79  -8.536  -5.998   6.691
  640    HE3  TRP  79           HE3      TRP  79  -6.487  -2.659  10.270
  641    HZ2  TRP  79           HZ2      TRP  79  -9.807  -6.210   9.241
  642    HZ3  TRP  79           HZ3      TRP  79  -8.047  -3.452  12.024
  643    HH2  TRP  79           HH2      TRP  79  -9.707  -5.224  11.515
  644    H    GLU  80           H        GLU  80  -4.891  -5.468   9.036
  645    HA   GLU  80           HA       GLU  80  -5.352  -4.465  11.668
  646   1HB   GLU  80          1HB       GLU  80  -6.029  -6.711  10.671
  647   2HB   GLU  80          2HB       GLU  80  -4.379  -7.256  10.971
  648   1HG   GLU  80          1HG       GLU  80  -5.953  -6.003  13.202
  649   2HG   GLU  80          2HG       GLU  80  -6.227  -7.695  12.784
  650    H    GLU  81           H        GLU  81  -2.347  -5.834  10.241
  651    HA   GLU  81           HA       GLU  81  -0.809  -5.801  12.698
  652   1HB   GLU  81          1HB       GLU  81  -0.324  -6.940  10.411
  653   2HB   GLU  81          2HB       GLU  81   0.335  -5.375   9.928
  654   1HG   GLU  81          1HG       GLU  81   2.221  -6.495  10.769
  655   2HG   GLU  81          2HG       GLU  81   1.693  -5.528  12.147
  656    H    LEU  82           H        LEU  82  -1.241  -3.372  10.088
  657    HA   LEU  82           HA       LEU  82   0.622  -1.400  10.806
  658   1HB   LEU  82          1HB       LEU  82  -2.008  -1.495   9.481
  659   2HB   LEU  82          2HB       LEU  82  -1.679   0.063  10.229
  660    HG   LEU  82           HG       LEU  82   0.457   0.211   9.030
  661   1HD1  LEU  82          2HD1      LEU  82  -0.242  -2.593   8.328
  662   2HD1  LEU  82          1HD1      LEU  82   0.506  -1.630   7.054
  663   3HD1  LEU  82          3HD1      LEU  82   1.341  -1.860   8.591
  664   1HD2  LEU  82          3HD2      LEU  82  -1.853   0.848   8.013
  665   2HD2  LEU  82          2HD2      LEU  82  -0.456   0.775   6.939
  666   3HD2  LEU  82          1HD2      LEU  82  -1.607  -0.560   6.979
  667    H    GLU  83           H        GLU  83   0.244   0.703  12.064
  668    HA   GLU  83           HA       GLU  83  -0.891   0.059  14.732
  669   1HB   GLU  83          1HB       GLU  83   0.775   2.292  13.554
  670   2HB   GLU  83          2HB       GLU  83   0.100   2.419  15.179
  671   1HG   GLU  83          1HG       GLU  83   1.165   0.120  15.621
  672   2HG   GLU  83          2HG       GLU  83   2.079   0.390  14.136
  673    H    ASP  84           H        ASP  84  -2.405   1.651  15.803
  674    HA   ASP  84           HA       ASP  84  -4.724   2.202  14.247
  675   1HB   ASP  84          1HB       ASP  84  -4.414   2.114  16.804
  676   2HB   ASP  84          2HB       ASP  84  -3.896   3.795  16.684
  677    H    ASN  85           H        ASN  85  -1.956   4.350  14.986
  678    HA   ASN  85           HA       ASN  85  -3.162   6.689  13.725
  679   1HB   ASN  85          1HB       ASN  85  -0.427   5.890  14.689
  680   2HB   ASN  85          2HB       ASN  85  -0.594   7.341  13.700
  681   1HD2  ASN  85          2HD2      ASN  85  -1.716   5.848  16.783
  682   2HD2  ASN  85          1HD2      ASN  85  -2.153   7.322  17.503
  683    H    GLU  86           H        GLU  86  -0.901   4.152  12.602
  684    HA   GLU  86           HA       GLU  86  -0.591   5.341   9.944
  685   1HB   GLU  86          1HB       GLU  86  -0.100   2.518  10.953
  686   2HB   GLU  86          2HB       GLU  86   0.486   3.164   9.422
  687   1HG   GLU  86          1HG       GLU  86   1.137   4.544  12.022
  688   2HG   GLU  86          2HG       GLU  86   2.106   3.184  11.456
  689    H    LYS  87           H        LYS  87  -2.744   2.875  11.387
  690    HA   LYS  87           HA       LYS  87  -3.959   2.076   8.868
  691   1HB   LYS  87          1HB       LYS  87  -4.028   0.737  10.974
  692   2HB   LYS  87          2HB       LYS  87  -5.055   1.972  11.701
  693   1HG   LYS  87          1HG       LYS  87  -6.556   1.571   9.580
  694   2HG   LYS  87          2HG       LYS  87  -5.700   0.031   9.503
  695   1HD   LYS  87          1HD       LYS  87  -6.662  -0.758  11.433
  696   2HD   LYS  87          2HD       LYS  87  -6.754   0.844  12.166
  697   1HE   LYS  87          1HE       LYS  87  -8.479   0.143   9.785
  698   2HE   LYS  87          2HE       LYS  87  -8.992  -0.252  11.438
  699   1HZ   LYS  87          2HZ       LYS  87  -8.546   2.061  12.064
  700   2HZ   LYS  87          1HZ       LYS  87  -8.163   2.427  10.449
  701   3HZ   LYS  87          3HZ       LYS  87  -9.741   1.961  10.860
  702    H    GLU  88           H        GLU  88  -4.738   4.579  11.314
  703    HA   GLU  88           HA       GLU  88  -7.279   5.358  10.172
  704   1HB   GLU  88          1HB       GLU  88  -6.298   5.967  12.454
  705   2HB   GLU  88          2HB       GLU  88  -5.302   7.156  11.612
  706   1HG   GLU  88          1HG       GLU  88  -7.253   8.328  10.809
  707   2HG   GLU  88          2HG       GLU  88  -8.323   7.055  11.399
  708    H    GLN  89           H        GLN  89  -3.913   6.449   9.534
  709    HA   GLN  89           HA       GLN  89  -4.553   8.612   7.766
  710   1HB   GLN  89          1HB       GLN  89  -2.282   7.730   8.798
  711   2HB   GLN  89          2HB       GLN  89  -2.180   6.829   7.285
  712   1HG   GLN  89          1HG       GLN  89  -2.079   8.771   5.981
  713   2HG   GLN  89          2HG       GLN  89  -2.818   9.767   7.236
  714   1HE2  GLN  89          1HE2      GLN  89   0.141   9.254   5.767
  715   2HE2  GLN  89          2HE2      GLN  89   1.159   9.687   7.053
  716    H    ILE  90           H        ILE  90  -4.361   5.099   7.138
  717    HA   ILE  90           HA       ILE  90  -4.443   5.284   4.253
  718    HB   ILE  90           HB       ILE  90  -5.404   3.115   6.163
  719   1HG1  ILE  90          1HG1      ILE  90  -2.845   3.323   4.545
  720   2HG1  ILE  90          2HG1      ILE  90  -2.962   3.751   6.251
  721   1HG2  ILE  90          3HG2      ILE  90  -4.947   3.091   3.166
  722   2HG2  ILE  90          2HG2      ILE  90  -5.083   1.626   4.139
  723   3HG2  ILE  90          1HG2      ILE  90  -6.449   2.736   4.018
  724   1HD1  ILE  90          2HD1      ILE  90  -3.890   1.052   5.295
  725   2HD1  ILE  90          1HD1      ILE  90  -2.182   1.344   5.624
  726   3HD1  ILE  90          3HD1      ILE  90  -3.373   1.536   6.911
  727    H    THR  91           H        THR  91  -7.051   5.119   6.731
  728    HA   THR  91           HA       THR  91  -9.247   4.928   4.877
  729    HB   THR  91           HB       THR  91 -10.594   5.782   6.784
  730    HG1  THR  91           HG1      THR  91  -9.614   6.661   8.517
  731   1HG2  THR  91          1HG2      THR  91  -9.358   3.427   6.675
  732   2HG2  THR  91          3HG2      THR  91  -8.521   4.071   8.087
  733   3HG2  THR  91          2HG2      THR  91 -10.277   3.911   8.099
  734    H    GLN  92           H        GLN  92  -7.682   7.803   6.361
  735    HA   GLN  92           HA       GLN  92  -9.316   9.770   5.017
  736   1HB   GLN  92          1HB       GLN  92  -6.550   9.732   6.228
  737   2HB   GLN  92          2HB       GLN  92  -7.116  11.170   5.379
  738   1HG   GLN  92          1HG       GLN  92  -9.262  10.835   6.886
  739   2HG   GLN  92          2HG       GLN  92  -8.140   9.943   7.915
  740   1HE2  GLN  92          1HE2      GLN  92  -6.716  11.188   9.243
  741   2HE2  GLN  92          2HE2      GLN  92  -6.571  12.875   9.128
  742    H    HIS  93           H        HIS  93  -6.295   8.088   4.057
  743    HA   HIS  93           HA       HIS  93  -5.726   9.530   1.657
  744   1HB   HIS  93          1HB       HIS  93  -4.327   7.752   2.814
  745   2HB   HIS  93          2HB       HIS  93  -5.412   6.542   2.132
  746    HD1  HIS  93           HD1      HIS  93  -2.758   9.021   1.174
  747    HD2  HIS  93           HD2      HIS  93  -5.077   6.077  -0.644
  748    HE1  HIS  93           HE1      HIS  93  -1.740   8.610  -1.103
  749    H    ILE  94           H        ILE  94  -7.772   6.578   2.091
  750    HA   ILE  94           HA       ILE  94  -8.630   6.558  -0.699
  751    HB   ILE  94           HB       ILE  94  -9.678   5.275   1.850
  752   1HG1  ILE  94          1HG1      ILE  94  -8.610   3.707  -0.436
  753   2HG1  ILE  94          2HG1      ILE  94  -7.439   4.719   0.409
  754   1HG2  ILE  94          1HG2      ILE  94 -11.523   5.591   0.168
  755   2HG2  ILE  94          3HG2      ILE  94 -10.563   4.670  -0.991
  756   3HG2  ILE  94          2HG2      ILE  94 -11.145   3.897   0.484
  757   1HD1  ILE  94          1HD1      ILE  94  -8.313   3.707   2.575
  758   2HD1  ILE  94          3HD1      ILE  94  -9.178   2.540   1.576
  759   3HD1  ILE  94          2HD1      ILE  94  -7.416   2.608   1.526
  760    H    ALA  95           H        ALA  95  -9.998   7.903   2.326
  761    HA   ALA  95           HA       ALA  95 -12.479   8.832   1.195
  762   1HB   ALA  95          3HB       ALA  95 -10.887  10.158   3.411
  763   2HB   ALA  95          1HB       ALA  95 -11.812   8.676   3.655
  764   3HB   ALA  95          2HB       ALA  95 -12.639  10.165   3.200
  765    H    ASP  96           H        ASP  96  -9.210  10.295   1.311
  766    HA   ASP  96           HA       ASP  96 -10.003  12.901   0.320
  767   1HB   ASP  96          1HB       ASP  96  -7.425  11.318   0.353
  768   2HB   ASP  96          2HB       ASP  96  -7.503  12.915  -0.392
  769    H    LEU  97           H        LEU  97  -9.041   9.868  -1.349
  770    HA   LEU  97           HA       LEU  97  -9.051  11.099  -4.008
  771   1HB   LEU  97          1HB       LEU  97  -7.755   9.053  -3.403
  772   2HB   LEU  97          2HB       LEU  97  -9.273   8.184  -3.168
  773    HG   LEU  97           HG       LEU  97  -9.706   9.165  -5.647
  774   1HD1  LEU  97          2HD1      LEU  97  -6.775   9.237  -5.168
  775   2HD1  LEU  97          1HD1      LEU  97  -7.296   8.518  -6.691
  776   3HD1  LEU  97          3HD1      LEU  97  -7.755  10.173  -6.296
  777   1HD2  LEU  97          3HD2      LEU  97  -9.362   6.700  -4.533
  778   2HD2  LEU  97          2HD2      LEU  97  -9.623   6.963  -6.258
  779   3HD2  LEU  97          1HD2      LEU  97  -7.987   6.748  -5.637
  780    H    SER  98           H        SER  98 -11.415   9.160  -2.113
  781    HA   SER  98           HA       SER  98 -13.392   8.893  -4.183
  782   1HB   SER  98          1HB       SER  98 -13.452   7.641  -2.059
  783   2HB   SER  98          2HB       SER  98 -13.706   9.137  -1.166
  784    HG   SER  98           HG       SER  98 -15.692   8.183  -1.517
  785    H    SER  99           H        SER  99 -12.953  11.472  -1.698
  786    HA   SER  99           HA       SER  99 -14.516  13.306  -3.461
  787   1HB   SER  99          1HB       SER  99 -16.187  12.513  -1.976
  788   2HB   SER  99          2HB       SER  99 -15.077  12.485  -0.608
  789    HG   SER  99           HG       SER  99 -16.492  14.292  -0.556
  790    H    LYS 100           H        LYS 100 -13.101  15.037  -3.771
  791    HA   LYS 100           HA       LYS 100 -11.388  15.860  -1.445
  792   1HB   LYS 100          1HB       LYS 100 -10.233  14.918  -3.441
  793   2HB   LYS 100          2HB       LYS 100 -10.964  16.179  -4.436
  794   1HG   LYS 100          1HG       LYS 100  -9.879  17.885  -2.932
  795   2HG   LYS 100          2HG       LYS 100  -9.020  16.562  -2.143
  796   1HD   LYS 100          1HD       LYS 100  -8.220  15.899  -4.495
  797   2HD   LYS 100          2HD       LYS 100  -8.790  17.487  -5.010
  798   1HE   LYS 100          1HE       LYS 100  -7.355  18.199  -2.810
  799   2HE   LYS 100          2HE       LYS 100  -6.430  16.785  -3.355
  800   1HZ   LYS 100          2HZ       LYS 100  -6.430  17.696  -5.599
  801   2HZ   LYS 100          1HZ       LYS 100  -7.280  19.066  -5.063
  802   3HZ   LYS 100          3HZ       LYS 100  -5.701  18.782  -4.514
  803    H    ALA 101           H        ALA 101 -12.839  17.279  -4.454
  804    HA   ALA 101           HA       ALA 101 -13.492  19.717  -2.826
  805   1HB   ALA 101          1HB       ALA 101 -13.006  20.959  -4.945
  806   2HB   ALA 101          2HB       ALA 101 -12.530  19.435  -5.693
  807   3HB   ALA 101          3HB       ALA 101 -11.602  20.081  -4.340
  808    H    ALA 102           H        ALA 102 -15.191  21.093  -4.337
  809    HA   ALA 102           HA       ALA 102 -17.199  19.179  -5.468
  810   1HB   ALA 102          1HB       ALA 102 -18.801  20.915  -4.211
  811   2HB   ALA 102          2HB       ALA 102 -17.375  21.113  -3.192
  812   3HB   ALA 102          3HB       ALA 102 -18.120  19.524  -3.368
  813    H    GLY 103           H        GLY 103 -15.584  20.608  -7.208
  814   1HA   GLY 103          2HA       GLY 103 -15.566  22.298  -8.843
  815   2HA   GLY 103          1HA       GLY 103 -16.636  23.245  -7.808
  816    H    THR 104           H        THR 104 -17.095  23.169 -10.597
  817    HA   THR 104           HA       THR 104 -19.414  21.295 -10.885
  818    HB   THR 104           HB       THR 104 -19.492  24.156 -11.813
  819    HG1  THR 104           HG1      THR 104 -20.197  24.775  -9.823
  820   1HG2  THR 104          1HG2      THR 104 -21.234  22.472 -12.479
  821   2HG2  THR 104          3HG2      THR 104 -21.647  22.300 -10.773
  822   3HG2  THR 104          2HG2      THR 104 -21.881  23.848 -11.587
  823    HA   PRO 105           HA       PRO 105 -17.053  20.884 -14.726
  824   1HB   PRO 105          1HB       PRO 105 -18.468  18.777 -15.751
  825   2HB   PRO 105          2HB       PRO 105 -17.210  18.585 -14.513
  826   1HG   PRO 105          1HG       PRO 105 -20.171  18.627 -14.212
  827   2HG   PRO 105          2HG       PRO 105 -18.965  17.625 -13.387
  828   1HD   PRO 105          1HD       PRO 105 -20.134  19.808 -12.250
  829   2HD   PRO 105          2HD       PRO 105 -18.510  19.229 -11.821
  830    H    LYS 106           H        LYS 106 -17.575  21.333 -17.024
  831    HA   LYS 106           HA       LYS 106 -20.328  22.476 -17.395
  832   1HB   LYS 106          1HB       LYS 106 -17.563  23.394 -17.952
  833   2HB   LYS 106          2HB       LYS 106 -18.739  23.729 -19.224
  834   1HG   LYS 106          1HG       LYS 106 -20.209  24.495 -17.117
  835   2HG   LYS 106          2HG       LYS 106 -18.607  24.785 -16.438
  836   1HD   LYS 106          1HD       LYS 106 -18.106  26.446 -17.963
  837   2HD   LYS 106          2HD       LYS 106 -19.136  25.752 -19.215
  838   1HE   LYS 106          1HE       LYS 106 -20.554  27.463 -18.633
  839   2HE   LYS 106          2HE       LYS 106 -20.991  26.391 -17.288
  840   1HZ   LYS 106          1HZ       LYS 106 -19.201  27.352 -15.981
  841   2HZ   LYS 106          3HZ       LYS 106 -18.786  28.385 -17.260
  842   3HZ   LYS 106          2HZ       LYS 106 -20.283  28.564 -16.476
  843    H    LYS 107           H        LYS 107 -17.549  21.237 -19.371
  844    HA   LYS 107           HA       LYS 107 -19.575  19.943 -21.172
  845   1HB   LYS 107          1HB       LYS 107 -16.800  21.060 -21.693
  846   2HB   LYS 107          2HB       LYS 107 -17.803  20.268 -22.909
  847   1HG   LYS 107          1HG       LYS 107 -19.094  22.472 -21.391
  848   2HG   LYS 107          2HG       LYS 107 -17.816  22.946 -22.511
  849   1HD   LYS 107          1HD       LYS 107 -20.091  21.114 -23.304
  850   2HD   LYS 107          2HD       LYS 107 -20.160  22.865 -23.503
  851   1HE   LYS 107          1HE       LYS 107 -18.042  22.743 -24.856
  852   2HE   LYS 107          2HE       LYS 107 -18.150  20.972 -24.771
  853   1HZ   LYS 107          1HZ       LYS 107 -20.468  21.199 -25.611
  854   2HZ   LYS 107          3HZ       LYS 107 -20.165  22.843 -25.895
  855   3HZ   LYS 107          2HZ       LYS 107 -19.282  21.660 -26.736
  856    H    LYS 108           H        LYS 108 -19.448  17.689 -21.268
  857    HA   LYS 108           HA       LYS 108 -16.943  16.411 -20.215
  858   1HB   LYS 108          1HB       LYS 108 -19.885  15.845 -19.983
  859   2HB   LYS 108          2HB       LYS 108 -18.744  14.505 -19.855
  860   1HG   LYS 108          1HG       LYS 108 -17.877  15.251 -17.865
  861   2HG   LYS 108          2HG       LYS 108 -18.114  16.950 -18.279
  862   1HD   LYS 108          1HD       LYS 108 -19.663  16.386 -16.502
  863   2HD   LYS 108          2HD       LYS 108 -20.587  16.607 -17.988
  864   1HE   LYS 108          1HE       LYS 108 -20.750  14.208 -18.323
  865   2HE   LYS 108          2HE       LYS 108 -19.650  13.903 -16.963
  866   1HZ   LYS 108          1HZ       LYS 108 -22.167  15.450 -16.694
  867   2HZ   LYS 108          3HZ       LYS 108 -22.082  13.780 -16.406
  868   3HZ   LYS 108          2HZ       LYS 108 -21.176  14.854 -15.449
  869    H    ALA 109           H        ALA 109 -19.739  15.652 -22.399
  870    HA   ALA 109           HA       ALA 109 -17.790  14.225 -24.182
  871   1HB   ALA 109          1HB       ALA 109 -20.720  13.694 -24.285
  872   2HB   ALA 109          3HB       ALA 109 -19.373  12.562 -24.397
  873   3HB   ALA 109          2HB       ALA 109 -19.877  13.179 -22.824
  874    H    VAL 110           H        VAL 110 -18.462  14.290 -26.570
  875    HA   VAL 110           HA       VAL 110 -19.976  16.796 -27.224
  876    HB   VAL 110           HB       VAL 110 -17.533  17.137 -27.332
  877   1HG1  VAL 110          3HG1      VAL 110 -17.658  14.734 -29.169
  878   2HG1  VAL 110          2HG1      VAL 110 -16.283  15.838 -29.135
  879   3HG1  VAL 110          1HG1      VAL 110 -16.710  14.918 -27.693
  880   1HG2  VAL 110          3HG2      VAL 110 -19.280  17.962 -29.154
  881   2HG2  VAL 110          2HG2      VAL 110 -17.551  18.235 -29.376
  882   3HG2  VAL 110          1HG2      VAL 110 -18.346  16.897 -30.205
  883    H    VAL 111           H        VAL 111 -21.232  16.673 -29.194
  884    HA   VAL 111           HA       VAL 111 -21.441  13.913 -30.358
  885    HB   VAL 111           HB       VAL 111 -23.497  16.132 -30.047
  886   1HG1  VAL 111          3HG1      VAL 111 -23.866  14.683 -32.036
  887   2HG1  VAL 111          2HG1      VAL 111 -23.825  13.265 -30.988
  888   3HG1  VAL 111          1HG1      VAL 111 -25.114  14.455 -30.811
  889   1HG2  VAL 111          1HG2      VAL 111 -22.732  13.748 -28.421
  890   2HG2  VAL 111          3HG2      VAL 111 -23.369  15.307 -27.896
  891   3HG2  VAL 111          2HG2      VAL 111 -24.454  14.095 -28.578
  892    H    GLN 112           H        GLN 112 -21.423  13.752 -32.665
  893    HA   GLN 112           HA       GLN 112 -20.905  16.322 -34.130
  894   1HB   GLN 112          1HB       GLN 112 -19.771  13.543 -34.233
  895   2HB   GLN 112          2HB       GLN 112 -19.746  14.528 -35.697
  896   1HG   GLN 112          1HG       GLN 112 -18.717  16.376 -34.230
  897   2HG   GLN 112          2HG       GLN 112 -18.441  15.108 -33.035
  898   1HE2  GLN 112          1HE2      GLN 112 -17.948  15.518 -36.624
  899   2HE2  GLN 112          2HE2      GLN 112 -16.414  14.792 -36.620
  900    H    ALA 113           H        ALA 113 -22.430  16.814 -35.721
  901    HA   ALA 113           HA       ALA 113 -24.008  14.552 -36.893
  902   1HB   ALA 113          2HB       ALA 113 -25.006  17.224 -35.849
  903   2HB   ALA 113          3HB       ALA 113 -25.278  15.653 -35.094
  904   3HB   ALA 113          1HB       ALA 113 -26.007  16.017 -36.657
  905    H    LYS 114           H        LYS 114 -24.401  14.798 -39.146
  906    HA   LYS 114           HA       LYS 114 -23.304  17.301 -40.394
  907   1HB   LYS 114          1HB       LYS 114 -23.146  14.378 -40.979
  908   2HB   LYS 114          2HB       LYS 114 -23.200  15.470 -42.363
  909   1HG   LYS 114          1HG       LYS 114 -20.889  15.246 -41.877
  910   2HG   LYS 114          2HG       LYS 114 -21.343  16.795 -41.166
  911   1HD   LYS 114          1HD       LYS 114 -21.148  16.023 -39.009
  912   2HD   LYS 114          2HD       LYS 114 -21.627  14.382 -39.442
  913   1HE   LYS 114          1HE       LYS 114 -19.055  15.332 -40.603
  914   2HE   LYS 114          2HE       LYS 114 -19.067  15.014 -38.857
  915   1HZ   LYS 114          1HZ       LYS 114 -20.106  12.870 -39.296
  916   2HZ   LYS 114          3HZ       LYS 114 -20.055  13.164 -40.965
  917   3HZ   LYS 114          2HZ       LYS 114 -18.609  12.984 -40.091
  918    H    LEU 115           H        LEU 115 -25.285  18.495 -40.638
  919    HA   LEU 115           HA       LEU 115 -27.447  17.112 -42.194
  920   1HB   LEU 115          1HB       LEU 115 -27.399  18.621 -39.745
  921   2HB   LEU 115          2HB       LEU 115 -28.335  19.527 -40.932
  922    HG   LEU 115           HG       LEU 115 -28.827  16.584 -40.691
  923   1HD1  LEU 115          2HD1      LEU 115 -28.772  17.744 -38.359
  924   2HD1  LEU 115          1HD1      LEU 115 -30.251  18.541 -38.895
  925   3HD1  LEU 115          3HD1      LEU 115 -30.189  16.782 -38.781
  926   1HD2  LEU 115          2HD2      LEU 115 -29.900  18.111 -42.410
  927   2HD2  LEU 115          1HD2      LEU 115 -31.042  17.227 -41.398
  928   3HD2  LEU 115          3HD2      LEU 115 -30.710  18.929 -41.075
  929    H    THR 116           H        THR 116 -27.704  17.900 -44.290
  930    HA   THR 116           HA       THR 116 -26.648  20.652 -44.870
  931    HB   THR 116           HB       THR 116 -26.268  19.680 -47.162
  932    HG1  THR 116           HG1      THR 116 -27.714  18.018 -47.176
  933   1HG2  THR 116          2HG2      THR 116 -24.551  19.686 -45.268
  934   2HG2  THR 116          1HG2      THR 116 -24.964  17.989 -45.025
  935   3HG2  THR 116          3HG2      THR 116 -24.276  18.518 -46.560
  936    H    THR 117           H        THR 117 -27.976  21.996 -46.265
  937    HA   THR 117           HA       THR 117 -30.771  20.973 -46.670
  938    HB   THR 117           HB       THR 117 -31.263  23.502 -46.490
  939    HG1  THR 117           HG1      THR 117 -29.244  24.337 -46.704
  940   1HG2  THR 117          2HG2      THR 117 -30.123  21.999 -44.118
  941   2HG2  THR 117          1HG2      THR 117 -31.153  23.426 -44.011
  942   3HG2  THR 117          3HG2      THR 117 -31.789  21.929 -44.691

  No H/Q in entry =         942
  Start of MODEL   17
    1    H1   MET   1           H        MET   1 -13.733 -15.422  -2.264
    2    H2   MET   1           HN2      MET   1 -12.223 -14.700  -2.554
    3    HA   MET   1           HA       MET   1 -13.214 -17.196  -3.842
    4   1HB   MET   1          1HB       MET   1 -13.226 -14.270  -4.458
    5   2HB   MET   1          2HB       MET   1 -12.957 -15.384  -5.798
    6   1HG   MET   1          1HG       MET   1 -15.021 -16.659  -4.854
    7   2HG   MET   1          2HG       MET   1 -15.357 -15.156  -3.994
    8   1HE   MET   1          3HE       MET   1 -15.615 -13.166  -4.695
    9   2HE   MET   1          2HE       MET   1 -15.791 -12.498  -6.316
   10   3HE   MET   1          1HE       MET   1 -17.165 -13.282  -5.541
   11    H    ALA   2           H        ALA   2 -11.734 -17.417  -5.972
   12    HA   ALA   2           HA       ALA   2  -8.886 -17.006  -5.114
   13   1HB   ALA   2          1HB       ALA   2 -10.180 -19.343  -5.413
   14   2HB   ALA   2          3HB       ALA   2  -9.695 -19.094  -7.090
   15   3HB   ALA   2          2HB       ALA   2  -8.473 -19.168  -5.820
   16    H    GLU   3           H        GLU   3 -10.160 -14.898  -6.539
   17    HA   GLU   3           HA       GLU   3  -9.092 -15.244  -9.325
   18   1HB   GLU   3          1HB       GLU   3 -11.441 -13.830  -8.097
   19   2HB   GLU   3          2HB       GLU   3 -10.761 -13.204  -9.600
   20   1HG   GLU   3          1HG       GLU   3 -11.217 -15.203 -10.778
   21   2HG   GLU   3          2HG       GLU   3 -11.442 -16.127  -9.292
   22    H    GLN   4           H        GLN   4  -9.690 -12.626  -6.881
   23    HA   GLN   4           HA       GLN   4  -6.980 -11.541  -7.543
   24   1HB   GLN   4          1HB       GLN   4  -9.697 -10.279  -7.752
   25   2HB   GLN   4          2HB       GLN   4  -8.316  -9.262  -7.339
   26   1HG   GLN   4          1HG       GLN   4  -7.236 -10.624  -9.396
   27   2HG   GLN   4          2HG       GLN   4  -8.930 -10.677  -9.884
   28   1HE2  GLN   4          1HE2      GLN   4  -8.527  -9.120 -11.673
   29   2HE2  GLN   4          2HE2      GLN   4  -8.259  -7.478 -11.333
   30    H    ARG   5           H        ARG   5  -5.862 -10.900  -5.673
   31    HA   ARG   5           HA       ARG   5  -7.456 -10.422  -3.182
   32   1HB   ARG   5          1HB       ARG   5  -5.229 -12.370  -3.755
   33   2HB   ARG   5          2HB       ARG   5  -5.460 -11.753  -2.118
   34   1HG   ARG   5          1HG       ARG   5  -7.751 -12.567  -2.079
   35   2HG   ARG   5          2HG       ARG   5  -7.640 -13.063  -3.768
   36   1HD   ARG   5          1HD       ARG   5  -7.102 -15.101  -2.841
   37   2HD   ARG   5          2HD       ARG   5  -5.486 -14.381  -2.708
   38    HE   ARG   5           HE       ARG   5  -7.498 -14.149  -0.500
   39   1HH1  ARG   5          1HH1      ARG   5  -5.287 -12.583   0.231
   40   2HH1  ARG   5          2HH1      ARG   5  -4.139 -13.680   0.923
   41   1HH2  ARG   5          1HH2      ARG   5  -5.609 -16.503  -0.454
   42   2HH2  ARG   5          2HH2      ARG   5  -4.321 -15.900   0.535
   43    H    PHE   6           H        PHE   6  -6.428  -8.918  -1.710
   44    HA   PHE   6           HA       PHE   6  -4.028  -7.512  -2.848
   45   1HB   PHE   6          1HB       PHE   6  -6.679  -6.655  -1.901
   46   2HB   PHE   6          2HB       PHE   6  -5.355  -5.719  -1.213
   47    HD1  PHE   6           HD1      PHE   6  -3.734  -4.542  -2.723
   48    HD2  PHE   6           HD2      PHE   6  -7.265  -6.474  -4.218
   49    HE1  PHE   6           HE1      PHE   6  -3.549  -3.248  -4.825
   50    HE2  PHE   6           HE2      PHE   6  -7.073  -5.189  -6.330
   51    HZ   PHE   6           HZ       PHE   6  -5.216  -3.573  -6.634
   52    H    CYS   7           H        CYS   7  -2.420  -6.813  -1.309
   53    HA   CYS   7           HA       CYS   7  -2.804  -7.721   1.520
   54   1HB   CYS   7          1HB       CYS   7  -1.563  -9.362   0.007
   55   2HB   CYS   7          2HB       CYS   7  -0.302  -8.139  -0.142
   56    HG   CYS   7           HG       CYS   7  -0.589  -9.985   2.188
   57    H    VAL   8           H        VAL   8  -2.289  -5.996   2.897
   58    HA   VAL   8           HA       VAL   8  -0.658  -3.774   1.733
   59    HB   VAL   8           HB       VAL   8  -1.694  -2.388   3.465
   60   1HG1  VAL   8          1HG1      VAL   8  -3.258  -3.995   1.559
   61   2HG1  VAL   8          3HG1      VAL   8  -4.222  -3.267   2.844
   62   3HG1  VAL   8          2HG1      VAL   8  -3.223  -2.252   1.806
   63   1HG2  VAL   8          1HG2      VAL   8  -2.232  -4.966   4.712
   64   2HG2  VAL   8          3HG2      VAL   8  -2.278  -3.357   5.416
   65   3HG2  VAL   8          2HG2      VAL   8  -3.697  -4.001   4.595
   66    H    ASP   9           H        ASP   9   1.524  -4.139   2.169
   67    HA   ASP   9           HA       ASP   9   2.233  -4.906   4.989
   68   1HB   ASP   9          1HB       ASP   9   3.626  -5.407   2.337
   69   2HB   ASP   9          2HB       ASP   9   4.253  -5.901   3.910
   70    H    TYR  10           H        TYR  10   4.239  -3.917   5.824
   71    HA   TYR  10           HA       TYR  10   4.650  -1.164   4.717
   72   1HB   TYR  10          1HB       TYR  10   4.383  -2.348   7.323
   73   2HB   TYR  10          2HB       TYR  10   5.987  -1.625   7.216
   74    HD1  TYR  10           HD1      TYR  10   2.872  -0.931   8.366
   75    HD2  TYR  10           HD2      TYR  10   5.761   0.727   5.655
   76    HE1  TYR  10           HE1      TYR  10   1.880   1.320   8.680
   77    HE2  TYR  10           HE2      TYR  10   4.770   2.977   5.971
   78    HH   TYR  10           HH       TYR  10   1.865   3.564   7.062
   79    H    ALA  11           H        ALA  11   6.765  -0.460   4.108
   80    HA   ALA  11           HA       ALA  11   8.620  -2.423   3.134
   81   1HB   ALA  11          1HB       ALA  11   9.154   0.463   3.931
   82   2HB   ALA  11          3HB       ALA  11  10.118  -0.498   2.809
   83   3HB   ALA  11          2HB       ALA  11   8.468  -0.040   2.386
   84    H    LYS  12           H        LYS  12   9.411  -3.934   4.671
   85    HA   LYS  12           HA       LYS  12  10.867  -2.764   7.024
   86   1HB   LYS  12          1HB       LYS  12   8.623  -4.303   7.075
   87   2HB   LYS  12          2HB       LYS  12   9.862  -5.559   7.103
   88   1HG   LYS  12          1HG       LYS  12  10.659  -4.923   9.167
   89   2HG   LYS  12          2HG       LYS  12  10.252  -3.225   8.917
   90   1HD   LYS  12          1HD       LYS  12   7.774  -4.092   8.985
   91   2HD   LYS  12          2HD       LYS  12   8.480  -5.479   9.814
   92   1HE   LYS  12          1HE       LYS  12   8.137  -4.142  11.667
   93   2HE   LYS  12          2HE       LYS  12   9.698  -3.460  11.170
   94   1HZ   LYS  12          1HZ       LYS  12   8.476  -1.900   9.737
   95   2HZ   LYS  12          3HZ       LYS  12   7.009  -2.495  10.346
   96   3HZ   LYS  12          2HZ       LYS  12   8.093  -1.691  11.379
   97    H    ARG  13           H        ARG  13  13.069  -2.954   6.501
   98    HA   ARG  13           HA       ARG  13  15.090  -3.933   5.779
   99   1HB   ARG  13          1HB       ARG  13  13.390  -6.148   6.891
  100   2HB   ARG  13          2HB       ARG  13  14.954  -6.543   6.178
  101   1HG   ARG  13          1HG       ARG  13  16.107  -5.085   7.709
  102   2HG   ARG  13          2HG       ARG  13  14.587  -4.420   8.306
  103   1HD   ARG  13          1HD       ARG  13  14.144  -6.260   9.625
  104   2HD   ARG  13          2HD       ARG  13  14.941  -7.382   8.503
  105    HE   ARG  13           HE       ARG  13  16.450  -5.488  10.269
  106   1HH1  ARG  13          1HH1      ARG  13  17.075  -7.496   7.746
  107   2HH1  ARG  13          2HH1      ARG  13  18.136  -8.573   8.591
  108   1HH2  ARG  13          1HH2      ARG  13  17.386  -7.282  11.721
  109   2HH2  ARG  13          2HH2      ARG  13  18.313  -8.452  10.840
  110    H    GLY  14           H        GLY  14  14.810  -3.367   3.471
  111   1HA   GLY  14          2HA       GLY  14  13.642  -5.511   1.768
  112   2HA   GLY  14          1HA       GLY  14  15.314  -5.021   1.485
  113    H    THR  15           H        THR  15  15.281  -3.785  -0.398
  114    HA   THR  15           HA       THR  15  13.124  -1.713  -0.644
  115    HB   THR  15           HB       THR  15  14.920  -0.211  -1.490
  116    HG1  THR  15           HG1      THR  15  17.018  -0.903  -1.443
  117   1HG2  THR  15          2HG2      THR  15  15.357  -1.482   1.222
  118   2HG2  THR  15          1HG2      THR  15  16.176  -0.011   0.699
  119   3HG2  THR  15          3HG2      THR  15  14.420  -0.035   0.856
  120    H    ALA  16           H        ALA  16  12.260  -1.510  -2.771
  121    HA   ALA  16           HA       ALA  16  13.709  -2.669  -5.060
  122   1HB   ALA  16          1HB       ALA  16  12.172  -4.464  -5.445
  123   2HB   ALA  16          2HB       ALA  16  11.020  -3.824  -4.271
  124   3HB   ALA  16          3HB       ALA  16  12.539  -4.534  -3.721
  125    H    GLY  17           H        GLY  17  12.860  -1.969  -7.100
  126   1HA   GLY  17          2HA       GLY  17  11.599  -0.619  -8.548
  127   2HA   GLY  17          1HA       GLY  17  11.457   0.488  -7.178
  128    H    CYS  18           H        CYS  18   9.290   0.938  -6.840
  129    HA   CYS  18           HA       CYS  18   7.475  -1.164  -6.104
  130   1HB   CYS  18          1HB       CYS  18   5.841   0.607  -5.911
  131   2HB   CYS  18          2HB       CYS  18   7.389   1.215  -5.365
  132    H    LYS  19           H        LYS  19   6.271  -2.525  -7.328
  133    HA   LYS  19           HA       LYS  19   6.339  -2.342 -10.257
  134   1HB   LYS  19          1HB       LYS  19   4.890  -4.147  -8.290
  135   2HB   LYS  19          2HB       LYS  19   4.822  -4.371 -10.038
  136   1HG   LYS  19          1HG       LYS  19   7.220  -4.696 -10.151
  137   2HG   LYS  19          2HG       LYS  19   7.399  -4.282  -8.445
  138   1HD   LYS  19          1HD       LYS  19   6.556  -6.305  -7.720
  139   2HD   LYS  19          2HD       LYS  19   5.535  -6.509  -9.144
  140   1HE   LYS  19          1HE       LYS  19   8.452  -6.497  -9.689
  141   2HE   LYS  19          2HE       LYS  19   7.848  -7.896  -8.781
  142   1HZ   LYS  19          1HZ       LYS  19   6.050  -8.094 -10.428
  143   2HZ   LYS  19          3HZ       LYS  19   6.749  -6.841 -11.333
  144   3HZ   LYS  19          2HZ       LYS  19   7.584  -8.305 -11.127
  145    H    LYS  20           H        LYS  20   4.357  -2.102 -11.618
  146    HA   LYS  20           HA       LYS  20   2.297  -1.110 -12.177
  147   1HB   LYS  20          1HB       LYS  20   1.802  -2.518  -9.925
  148   2HB   LYS  20          2HB       LYS  20   1.461  -0.895  -9.323
  149   1HG   LYS  20          1HG       LYS  20  -0.616  -1.436 -10.186
  150   2HG   LYS  20          2HG       LYS  20   0.119  -0.705 -11.613
  151   1HD   LYS  20          1HD       LYS  20   0.984  -3.199 -11.996
  152   2HD   LYS  20          2HD       LYS  20  -0.445  -3.581 -11.034
  153   1HE   LYS  20          1HE       LYS  20  -0.800  -1.597 -13.240
  154   2HE   LYS  20          2HE       LYS  20  -0.601  -3.301 -13.697
  155   1HZ   LYS  20          2HZ       LYS  20  -2.276  -3.853 -11.977
  156   2HZ   LYS  20          1HZ       LYS  20  -2.557  -2.192 -11.755
  157   3HZ   LYS  20          3HZ       LYS  20  -2.908  -2.918 -13.248
  158    H    CYS  21           H        CYS  21   4.774   0.524 -10.901
  159    HA   CYS  21           HA       CYS  21   3.688   3.098 -11.453
  160   1HB   CYS  21          1HB       CYS  21   3.761   3.996  -9.094
  161   2HB   CYS  21          2HB       CYS  21   2.430   2.911  -9.434
  162    H    LYS  22           H        LYS  22   5.346   4.785 -11.374
  163    HA   LYS  22           HA       LYS  22   8.082   3.656 -11.461
  164   1HB   LYS  22          1HB       LYS  22   6.725   5.557 -12.888
  165   2HB   LYS  22          2HB       LYS  22   7.678   6.569 -11.802
  166   1HG   LYS  22          1HG       LYS  22   9.655   5.985 -12.778
  167   2HG   LYS  22          2HG       LYS  22   9.154   4.313 -13.026
  168   1HD   LYS  22          1HD       LYS  22   9.262   5.159 -15.218
  169   2HD   LYS  22          2HD       LYS  22   7.549   5.302 -14.824
  170   1HE   LYS  22          1HE       LYS  22   7.851   7.473 -15.522
  171   2HE   LYS  22          2HE       LYS  22   8.497   7.696 -13.884
  172   1HZ   LYS  22          1HZ       LYS  22  10.145   6.744 -16.159
  173   2HZ   LYS  22          3HZ       LYS  22  10.033   8.382 -15.730
  174   3HZ   LYS  22          2HZ       LYS  22  10.683   7.260 -14.631
  175    H    GLU  23           H        GLU  23   8.588   3.258  -9.206
  176    HA   GLU  23           HA       GLU  23   9.742   5.536  -7.828
  177   1HB   GLU  23          1HB       GLU  23   7.064   5.388  -7.499
  178   2HB   GLU  23          2HB       GLU  23   7.576   4.342  -6.184
  179   1HG   GLU  23          1HG       GLU  23   8.440   6.034  -4.975
  180   2HG   GLU  23          2HG       GLU  23   9.137   6.822  -6.392
  181    H    LYS  24           H        LYS  24  10.183   4.650  -5.309
  182    HA   LYS  24           HA       LYS  24  11.116   1.791  -5.555
  183   1HB   LYS  24          1HB       LYS  24  12.494   4.350  -4.755
  184   2HB   LYS  24          2HB       LYS  24  13.032   2.822  -4.058
  185   1HG   LYS  24          1HG       LYS  24  14.342   2.777  -5.939
  186   2HG   LYS  24          2HG       LYS  24  12.882   2.090  -6.651
  187   1HD   LYS  24          1HD       LYS  24  13.181   3.791  -8.159
  188   2HD   LYS  24          2HD       LYS  24  12.316   4.717  -6.931
  189   1HE   LYS  24          1HE       LYS  24  14.630   5.212  -5.905
  190   2HE   LYS  24          2HE       LYS  24  15.297   4.627  -7.443
  191   1HZ   LYS  24          3HZ       LYS  24  13.814   6.162  -8.608
  192   2HZ   LYS  24          2HZ       LYS  24  13.251   6.761  -7.122
  193   3HZ   LYS  24          1HZ       LYS  24  14.872   6.995  -7.577
  194    H    ILE  25           H        ILE  25  11.132   0.640  -3.488
  195    HA   ILE  25           HA       ILE  25   9.343   1.908  -1.441
  196    HB   ILE  25           HB       ILE  25  10.057  -0.990  -2.021
  197   1HG1  ILE  25          1HG1      ILE  25   7.424   0.439  -2.463
  198   2HG1  ILE  25          2HG1      ILE  25   8.651   0.310  -3.723
  199   1HG2  ILE  25          1HG2      ILE  25   9.414  -0.365   0.382
  200   2HG2  ILE  25          3HG2      ILE  25   7.828   0.056  -0.263
  201   3HG2  ILE  25          2HG2      ILE  25   8.421  -1.600  -0.394
  202   1HD1  ILE  25          3HD1      ILE  25   7.525  -2.085  -2.253
  203   2HD1  ILE  25          2HD1      ILE  25   6.880  -1.499  -3.786
  204   3HD1  ILE  25          1HD1      ILE  25   8.539  -2.094  -3.695
  205    H    VAL  26           H        VAL  26  10.567   2.832   0.208
  206    HA   VAL  26           HA       VAL  26  13.006   1.341   1.137
  207    HB   VAL  26           HB       VAL  26  12.238   4.278   1.318
  208   1HG1  VAL  26          1HG1      VAL  26  14.643   2.700   2.238
  209   2HG1  VAL  26          3HG1      VAL  26  14.756   4.426   1.897
  210   3HG1  VAL  26          2HG1      VAL  26  13.667   3.845   3.156
  211   1HG2  VAL  26          1HG2      VAL  26  14.188   2.777  -0.458
  212   2HG2  VAL  26          3HG2      VAL  26  12.757   3.668  -0.975
  213   3HG2  VAL  26          2HG2      VAL  26  14.143   4.534  -0.311
  214    H    LYS  27           H        LYS  27  13.373   1.357   3.501
  215    HA   LYS  27           HA       LYS  27  11.195   0.538   5.091
  216   1HB   LYS  27          1HB       LYS  27  12.686   1.060   7.025
  217   2HB   LYS  27          2HB       LYS  27  13.551   0.248   5.722
  218   1HG   LYS  27          1HG       LYS  27  15.035   1.963   5.965
  219   2HG   LYS  27          2HG       LYS  27  13.871   2.857   4.989
  220   1HD   LYS  27          1HD       LYS  27  12.720   3.332   7.306
  221   2HD   LYS  27          2HD       LYS  27  14.314   2.948   7.957
  222   1HE   LYS  27          1HE       LYS  27  15.024   4.626   5.933
  223   2HE   LYS  27          2HE       LYS  27  13.447   5.308   6.383
  224   1HZ   LYS  27          2HZ       LYS  27  14.127   5.277   8.699
  225   2HZ   LYS  27          1HZ       LYS  27  15.643   4.638   8.272
  226   3HZ   LYS  27          3HZ       LYS  27  15.215   6.205   7.782
  227    H    GLY  28           H        GLY  28   9.510   1.596   6.163
  228   1HA   GLY  28          2HA       GLY  28   9.749   4.544   6.536
  229   2HA   GLY  28          1HA       GLY  28   8.690   3.494   7.469
  230    H    VAL  29           H        VAL  29   8.204   2.357   4.380
  231    HA   VAL  29           HA       VAL  29   6.000   4.325   3.919
  232    HB   VAL  29           HB       VAL  29   8.006   4.503   2.378
  233   1HG1  VAL  29          3HG1      VAL  29   8.339   1.954   2.298
  234   2HG1  VAL  29          2HG1      VAL  29   6.995   1.927   1.161
  235   3HG1  VAL  29          1HG1      VAL  29   8.467   2.813   0.766
  236   1HG2  VAL  29          3HG2      VAL  29   5.336   3.718   1.177
  237   2HG2  VAL  29          2HG2      VAL  29   5.820   5.334   1.691
  238   3HG2  VAL  29          1HG2      VAL  29   6.613   4.574   0.311
  239    H    CYS  30           H        CYS  30   3.957   3.394   3.590
  240    HA   CYS  30           HA       CYS  30   3.764   0.442   3.867
  241   1HB   CYS  30          1HB       CYS  30   2.329   2.248   5.044
  242   2HB   CYS  30          2HB       CYS  30   1.493   2.408   3.500
  243    HG   CYS  30           HG       CYS  30   1.228  -0.375   3.827
  244    H    ARG  31           H        ARG  31   3.063  -0.964   2.193
  245    HA   ARG  31           HA       ARG  31   2.325   0.315  -0.417
  246   1HB   ARG  31          1HB       ARG  31   3.836  -1.347  -1.501
  247   2HB   ARG  31          2HB       ARG  31   4.714  -0.272  -0.414
  248   1HG   ARG  31          1HG       ARG  31   4.789  -1.956   1.312
  249   2HG   ARG  31          2HG       ARG  31   3.690  -3.002   0.412
  250   1HD   ARG  31          1HD       ARG  31   5.407  -3.139  -1.422
  251   2HD   ARG  31          2HD       ARG  31   6.523  -2.241  -0.374
  252    HE   ARG  31           HE       ARG  31   5.309  -4.869   0.403
  253   1HH1  ARG  31          1HH1      ARG  31   8.209  -3.920  -0.666
  254   2HH1  ARG  31          2HH1      ARG  31   9.109  -4.236   0.780
  255   1HH2  ARG  31          1HH2      ARG  31   6.293  -4.669   2.756
  256   2HH2  ARG  31          2HH2      ARG  31   8.024  -4.658   2.718
  257    H    ILE  32           H        ILE  32   0.751  -0.879  -1.620
  258    HA   ILE  32           HA       ILE  32  -0.410  -3.239  -0.176
  259    HB   ILE  32           HB       ILE  32  -1.723  -1.563  -2.337
  260   1HG1  ILE  32          1HG1      ILE  32  -2.009  -1.100   0.652
  261   2HG1  ILE  32          2HG1      ILE  32  -0.957  -0.121  -0.370
  262   1HG2  ILE  32          1HG2      ILE  32  -2.488  -3.908  -1.152
  263   2HG2  ILE  32          3HG2      ILE  32  -3.297  -2.719  -0.134
  264   3HG2  ILE  32          2HG2      ILE  32  -3.595  -2.739  -1.869
  265   1HD1  ILE  32          3HD1      ILE  32  -3.888  -0.524  -0.988
  266   2HD1  ILE  32          2HD1      ILE  32  -3.306   0.806   0.013
  267   3HD1  ILE  32          1HD1      ILE  32  -2.792   0.677  -1.670
  268    H    GLY  33           H        GLY  33  -0.005  -5.225  -1.180
  269   1HA   GLY  33          2HA       GLY  33   1.146  -6.456  -2.952
  270   2HA   GLY  33          1HA       GLY  33   0.718  -5.161  -4.071
  271    H    LYS  34           H        LYS  34  -0.177  -7.020  -5.415
  272    HA   LYS  34           HA       LYS  34  -2.857  -7.899  -4.387
  273   1HB   LYS  34          1HB       LYS  34  -3.666  -7.557  -6.726
  274   2HB   LYS  34          2HB       LYS  34  -3.107  -6.065  -5.983
  275   1HG   LYS  34          1HG       LYS  34  -1.033  -6.138  -7.196
  276   2HG   LYS  34          2HG       LYS  34  -1.349  -7.781  -7.752
  277   1HD   LYS  34          1HD       LYS  34  -3.273  -6.996  -9.055
  278   2HD   LYS  34          2HD       LYS  34  -3.014  -5.352  -8.470
  279   1HE   LYS  34          1HE       LYS  34  -1.812  -5.167 -10.430
  280   2HE   LYS  34          2HE       LYS  34  -0.531  -5.912  -9.452
  281   1HZ   LYS  34          1HZ       LYS  34  -1.328  -8.091 -10.122
  282   2HZ   LYS  34          3HZ       LYS  34  -2.548  -7.385 -11.065
  283   3HZ   LYS  34          2HZ       LYS  34  -0.917  -7.172 -11.490
  284    H    VAL  35           H        VAL  35  -3.344 -10.116  -4.843
  285    HA   VAL  35           HA       VAL  35  -1.138 -11.636  -6.200
  286    HB   VAL  35           HB       VAL  35  -3.270 -12.488  -4.203
  287   1HG1  VAL  35          2HG1      VAL  35  -2.445 -14.270  -5.801
  288   2HG1  VAL  35          1HG1      VAL  35  -0.828 -14.014  -5.146
  289   3HG1  VAL  35          3HG1      VAL  35  -2.119 -14.604  -4.099
  290   1HG2  VAL  35          1HG2      VAL  35  -1.112 -10.944  -3.657
  291   2HG2  VAL  35          3HG2      VAL  35  -1.739 -12.143  -2.526
  292   3HG2  VAL  35          2HG2      VAL  35  -0.365 -12.538  -3.558
  293    H    VAL  36           H        VAL  36  -1.741 -11.973  -8.363
  294    HA   VAL  36           HA       VAL  36  -4.565 -12.864  -8.866
  295    HB   VAL  36           HB       VAL  36  -2.620 -11.315 -10.614
  296   1HG1  VAL  36          1HG1      VAL  36  -5.404 -12.387 -11.061
  297   2HG1  VAL  36          3HG1      VAL  36  -4.823 -10.976 -11.945
  298   3HG1  VAL  36          2HG1      VAL  36  -3.991 -12.523 -12.107
  299   1HG2  VAL  36          3HG2      VAL  36  -3.660 -10.114  -8.619
  300   2HG2  VAL  36          2HG2      VAL  36  -4.009  -9.400 -10.193
  301   3HG2  VAL  36          1HG2      VAL  36  -5.228 -10.384  -9.382
  302    HA   PRO  37           HA       PRO  37  -2.109 -16.469 -10.123
  303   1HB   PRO  37          1HB       PRO  37  -4.213 -18.196 -10.401
  304   2HB   PRO  37          2HB       PRO  37  -3.486 -17.806  -8.830
  305   1HG   PRO  37          1HG       PRO  37  -5.986 -16.775 -10.064
  306   2HG   PRO  37          2HG       PRO  37  -5.642 -17.178  -8.375
  307   1HD   PRO  37          1HD       PRO  37  -5.683 -14.626  -9.352
  308   2HD   PRO  37          2HD       PRO  37  -4.731 -15.130  -7.939
  309    H    ASN  38           H        ASN  38  -1.561 -17.068 -12.259
  310    HA   ASN  38           HA       ASN  38  -3.384 -16.081 -14.420
  311   1HB   ASN  38          1HB       ASN  38  -0.434 -16.727 -14.234
  312   2HB   ASN  38          2HB       ASN  38  -1.228 -16.416 -15.779
  313   1HD2  ASN  38          2HD2      ASN  38   0.020 -14.366 -16.048
  314   2HD2  ASN  38          1HD2      ASN  38  -0.379 -13.001 -15.122
  315    HA   PRO  39           HA       PRO  39  -4.160 -20.495 -14.990
  316   1HB   PRO  39          1HB       PRO  39  -6.092 -20.245 -16.910
  317   2HB   PRO  39          2HB       PRO  39  -6.416 -20.013 -15.180
  318   1HG   PRO  39          1HG       PRO  39  -6.025 -17.990 -17.321
  319   2HG   PRO  39          2HG       PRO  39  -7.117 -17.967 -15.929
  320   1HD   PRO  39          1HD       PRO  39  -4.752 -16.588 -16.050
  321   2HD   PRO  39          2HD       PRO  39  -5.530 -17.104 -14.539
  322    H    PHE  40           H        PHE  40  -1.827 -20.241 -16.042
  323    HA   PHE  40           HA       PHE  40  -2.083 -20.968 -18.920
  324   1HB   PHE  40          1HB       PHE  40  -1.713 -18.520 -18.758
  325   2HB   PHE  40          2HB       PHE  40  -0.258 -18.810 -17.805
  326    HD1  PHE  40           HD1      PHE  40   1.672 -20.061 -18.834
  327    HD2  PHE  40           HD2      PHE  40  -1.696 -18.721 -21.137
  328    HE1  PHE  40           HE1      PHE  40   2.986 -20.340 -20.917
  329    HE2  PHE  40           HE2      PHE  40  -0.382 -18.999 -23.221
  330    HZ   PHE  40           HZ       PHE  40   1.960 -19.809 -23.112
  331    H    SER  41           H        SER  41   0.478 -20.317 -16.433
  332    HA   SER  41           HA       SER  41   1.784 -22.881 -17.280
  333   1HB   SER  41          1HB       SER  41   2.721 -20.282 -16.070
  334   2HB   SER  41          2HB       SER  41   3.721 -21.729 -15.955
  335    HG   SER  41           HG       SER  41   3.923 -21.772 -18.118
  336    H    GLU  42           H        GLU  42   2.651 -24.285 -15.527
  337    HA   GLU  42           HA       GLU  42   0.898 -24.208 -13.113
  338   1HB   GLU  42          1HB       GLU  42   2.824 -26.292 -14.199
  339   2HB   GLU  42          2HB       GLU  42   1.751 -26.529 -12.820
  340   1HG   GLU  42          1HG       GLU  42   0.594 -25.607 -15.431
  341   2HG   GLU  42          2HG       GLU  42   0.991 -27.312 -15.220
  342    H    SER  43           H        SER  43   4.391 -24.197 -13.975
  343    HA   SER  43           HA       SER  43   5.477 -24.355 -11.341
  344   1HB   SER  43          1HB       SER  43   6.899 -24.480 -13.295
  345   2HB   SER  43          2HB       SER  43   6.401 -22.878 -13.828
  346    HG   SER  43           HG       SER  43   8.486 -23.130 -12.631
  347    H    GLY  44           H        GLY  44   4.259 -21.481 -13.132
  348   1HA   GLY  44          2HA       GLY  44   4.140 -19.228 -12.377
  349   2HA   GLY  44          1HA       GLY  44   4.908 -19.717 -10.865
  350    H    GLY  45           H        GLY  45   3.563 -20.199  -9.085
  351   1HA   GLY  45          2HA       GLY  45   1.569 -20.513  -7.883
  352   2HA   GLY  45          1HA       GLY  45   0.781 -20.934  -9.404
  353    H    ASP  46           H        ASP  46   1.845 -18.143  -7.411
  354    HA   ASP  46           HA       ASP  46  -0.179 -16.470  -8.870
  355   1HB   ASP  46          1HB       ASP  46   0.348 -16.988  -5.952
  356   2HB   ASP  46          2HB       ASP  46  -0.375 -15.458  -6.449
  357    H    MET  47           H        MET  47   0.390 -14.214  -9.096
  358    HA   MET  47           HA       MET  47   3.272 -13.614  -8.496
  359   1HB   MET  47          1HB       MET  47   1.410 -13.135 -10.767
  360   2HB   MET  47          2HB       MET  47   2.545 -11.834 -10.408
  361   1HG   MET  47          1HG       MET  47   4.432 -13.279 -10.686
  362   2HG   MET  47          2HG       MET  47   3.412 -14.718 -10.703
  363   1HE   MET  47          3HE       MET  47   5.648 -13.301 -12.344
  364   2HE   MET  47          2HE       MET  47   5.323 -14.658 -13.419
  365   3HE   MET  47          1HE       MET  47   5.273 -13.013 -14.049
  366    H    LYS  48           H        LYS  48   3.693 -11.794  -7.196
  367    HA   LYS  48           HA       LYS  48   1.343 -10.053  -6.506
  368   1HB   LYS  48          1HB       LYS  48   2.347 -11.746  -4.812
  369   2HB   LYS  48          2HB       LYS  48   3.715 -10.634  -4.731
  370   1HG   LYS  48          1HG       LYS  48   1.958  -8.794  -4.304
  371   2HG   LYS  48          2HG       LYS  48   0.838 -10.118  -3.978
  372   1HD   LYS  48          1HD       LYS  48   3.512 -10.138  -2.627
  373   2HD   LYS  48          2HD       LYS  48   2.262  -9.054  -2.015
  374   1HE   LYS  48          1HE       LYS  48   0.734 -10.906  -1.658
  375   2HE   LYS  48          2HE       LYS  48   1.854 -12.033  -2.451
  376   1HZ   LYS  48          1HZ       LYS  48   2.459 -10.421  -0.027
  377   2HZ   LYS  48          3HZ       LYS  48   2.120 -12.084  -0.037
  378   3HZ   LYS  48          2HZ       LYS  48   3.525 -11.500  -0.795
  379    H    GLU  49           H        GLU  49   1.690  -7.819  -6.766
  380    HA   GLU  49           HA       GLU  49   4.478  -6.966  -7.492
  381   1HB   GLU  49          1HB       GLU  49   1.730  -5.893  -8.221
  382   2HB   GLU  49          2HB       GLU  49   3.249  -5.158  -8.732
  383   1HG   GLU  49          1HG       GLU  49   3.859  -7.432  -9.724
  384   2HG   GLU  49          2HG       GLU  49   2.176  -7.889  -9.461
  385    H    TRP  50           H        TRP  50   5.329  -5.083  -6.400
  386    HA   TRP  50           HA       TRP  50   3.771  -4.265  -3.972
  387   1HB   TRP  50          1HB       TRP  50   6.686  -4.077  -4.773
  388   2HB   TRP  50          2HB       TRP  50   6.046  -3.362  -3.300
  389    HD1  TRP  50           HD1      TRP  50   7.982  -6.109  -4.096
  390    HE1  TRP  50           HE1      TRP  50   7.567  -8.155  -2.595
  391    HE3  TRP  50           HE3      TRP  50   3.432  -4.842  -2.102
  392    HZ2  TRP  50           HZ2      TRP  50   5.572  -9.134  -0.787
  393    HZ3  TRP  50           HZ3      TRP  50   2.313  -6.349  -0.490
  394    HH2  TRP  50           HH2      TRP  50   3.374  -8.492   0.167
  395    H    TYR  51           H        TYR  51   2.578  -2.350  -4.355
  396    HA   TYR  51           HA       TYR  51   4.089  -0.167  -5.733
  397   1HB   TYR  51          1HB       TYR  51   1.572   0.639  -6.200
  398   2HB   TYR  51          2HB       TYR  51   2.450  -0.370  -7.321
  399    HD1  TYR  51           HD1      TYR  51   2.092  -2.893  -7.235
  400    HD2  TYR  51           HD2      TYR  51  -0.399  -0.070  -5.175
  401    HE1  TYR  51           HE1      TYR  51   0.292  -4.594  -7.097
  402    HE2  TYR  51           HE2      TYR  51  -2.203  -1.773  -5.030
  403    HH   TYR  51           HH       TYR  51  -2.652  -4.099  -6.738
  404    H    HIS  52           H        HIS  52   3.000   2.064  -5.113
  405    HA   HIS  52           HA       HIS  52   2.888   2.098  -2.135
  406   1HB   HIS  52          1HB       HIS  52   3.051   4.232  -4.279
  407   2HB   HIS  52          2HB       HIS  52   3.086   4.569  -2.550
  408    HD2  HIS  52           HD2      HIS  52   5.445   3.559  -1.195
  409    HE1  HIS  52           HE1      HIS  52   7.679   3.092  -4.752
  410    HE2  HIS  52           HE2      HIS  52   7.773   3.164  -2.246
  411    H    ILE  53           H        ILE  53   1.292   3.946  -1.280
  412    HA   ILE  53           HA       ILE  53  -1.425   3.157  -2.104
  413    HB   ILE  53           HB       ILE  53  -0.327   5.205  -0.131
  414   1HG1  ILE  53          1HG1      ILE  53  -1.545   2.437   0.163
  415   2HG1  ILE  53          2HG1      ILE  53   0.124   2.893   0.495
  416   1HG2  ILE  53          1HG2      ILE  53  -2.645   5.741  -1.070
  417   2HG2  ILE  53          3HG2      ILE  53  -3.191   4.238  -0.332
  418   3HG2  ILE  53          2HG2      ILE  53  -2.563   5.538   0.677
  419   1HD1  ILE  53          2HD1      ILE  53  -0.867   4.555   2.208
  420   2HD1  ILE  53          1HD1      ILE  53  -2.365   3.637   2.033
  421   3HD1  ILE  53          3HD1      ILE  53  -0.906   2.842   2.631
  422    H    LYS  54           H        LYS  54   0.409   6.283  -2.076
  423    HA   LYS  54           HA       LYS  54  -1.476   7.764  -3.641
  424   1HB   LYS  54          1HB       LYS  54   0.621   8.571  -2.373
  425   2HB   LYS  54          2HB       LYS  54   1.533   8.085  -3.803
  426   1HG   LYS  54          1HG       LYS  54  -0.322   9.515  -5.055
  427   2HG   LYS  54          2HG       LYS  54  -0.448  10.306  -3.483
  428   1HD   LYS  54          1HD       LYS  54   2.231  10.269  -3.715
  429   2HD   LYS  54          2HD       LYS  54   1.808  10.305  -5.427
  430   1HE   LYS  54          1HE       LYS  54   1.757  12.582  -5.034
  431   2HE   LYS  54          2HE       LYS  54   0.109  12.211  -4.490
  432   1HZ   LYS  54          3HZ       LYS  54   2.519  12.141  -2.752
  433   2HZ   LYS  54          2HZ       LYS  54   1.408  13.424  -2.801
  434   3HZ   LYS  54          1HZ       LYS  54   0.915  11.890  -2.262
  435    H    CYS  55           H        CYS  55   1.193   5.607  -4.665
  436    HA   CYS  55           HA       CYS  55   1.033   6.161  -7.488
  437   1HB   CYS  55          1HB       CYS  55   1.911   3.799  -5.821
  438   2HB   CYS  55          2HB       CYS  55   1.901   3.684  -7.572
  439    H    MET  56           H        MET  56  -0.524   3.580  -5.525
  440    HA   MET  56           HA       MET  56  -2.134   2.584  -7.742
  441   1HB   MET  56          1HB       MET  56  -1.453   1.609  -5.321
  442   2HB   MET  56          2HB       MET  56  -3.046   2.248  -4.920
  443   1HG   MET  56          1HG       MET  56  -2.504   0.395  -7.257
  444   2HG   MET  56          2HG       MET  56  -3.095  -0.142  -5.685
  445   1HE   MET  56          2HE       MET  56  -4.013   0.261  -8.992
  446   2HE   MET  56          1HE       MET  56  -5.408   1.321  -9.173
  447   3HE   MET  56          3HE       MET  56  -3.806   2.007  -8.875
  448    H    PHE  57           H        PHE  57  -2.828   4.767  -4.978
  449    HA   PHE  57           HA       PHE  57  -5.588   5.226  -5.701
  450   1HB   PHE  57          1HB       PHE  57  -3.539   6.538  -3.956
  451   2HB   PHE  57          2HB       PHE  57  -4.982   7.469  -4.360
  452    HD1  PHE  57           HD1      PHE  57  -3.646   4.687  -2.427
  453    HD2  PHE  57           HD2      PHE  57  -7.261   6.538  -3.823
  454    HE1  PHE  57           HE1      PHE  57  -4.937   3.428  -0.727
  455    HE2  PHE  57           HE2      PHE  57  -8.556   5.274  -2.128
  456    HZ   PHE  57           HZ       PHE  57  -7.397   3.720  -0.583
  457    H    GLU  58           H        GLU  58  -2.529   6.660  -6.866
  458    HA   GLU  58           HA       GLU  58  -3.679   8.975  -8.145
  459   1HB   GLU  58          1HB       GLU  58  -1.192   7.328  -8.435
  460   2HB   GLU  58          2HB       GLU  58  -1.587   8.441  -9.745
  461   1HG   GLU  58          1HG       GLU  58  -1.594  10.326  -8.254
  462   2HG   GLU  58          2HG       GLU  58  -1.497   9.279  -6.837
  463    H    LYS  59           H        LYS  59  -3.193   5.612  -9.293
  464    HA   LYS  59           HA       LYS  59  -4.309   6.130 -11.945
  465   1HB   LYS  59          1HB       LYS  59  -3.588   3.732 -10.287
  466   2HB   LYS  59          2HB       LYS  59  -4.634   3.486 -11.686
  467   1HG   LYS  59          1HG       LYS  59  -2.332   3.198 -12.397
  468   2HG   LYS  59          2HG       LYS  59  -2.942   4.702 -13.087
  469   1HD   LYS  59          1HD       LYS  59  -1.805   6.023 -11.441
  470   2HD   LYS  59          2HD       LYS  59  -1.409   4.597 -10.480
  471   1HE   LYS  59          1HE       LYS  59  -0.461   4.526 -13.294
  472   2HE   LYS  59          2HE       LYS  59   0.338   5.708 -12.239
  473   1HZ   LYS  59          1HZ       LYS  59  -0.133   2.866 -11.514
  474   2HZ   LYS  59          3HZ       LYS  59   1.338   3.460 -12.113
  475   3HZ   LYS  59          2HZ       LYS  59   0.746   4.013 -10.619
  476    H    LEU  60           H        LEU  60  -5.642   4.906  -8.853
  477    HA   LEU  60           HA       LEU  60  -8.303   4.339  -9.804
  478   1HB   LEU  60          1HB       LEU  60  -6.916   4.484  -7.271
  479   2HB   LEU  60          2HB       LEU  60  -8.427   5.373  -7.126
  480    HG   LEU  60           HG       LEU  60  -9.455   3.278  -8.333
  481   1HD1  LEU  60          2HD1      LEU  60  -6.875   2.458  -8.417
  482   2HD1  LEU  60          1HD1      LEU  60  -7.361   1.748  -6.878
  483   3HD1  LEU  60          3HD1      LEU  60  -8.234   1.336  -8.353
  484   1HD2  LEU  60          1HD2      LEU  60  -9.452   4.161  -5.784
  485   2HD2  LEU  60          3HD2      LEU  60 -10.229   2.649  -6.259
  486   3HD2  LEU  60          2HD2      LEU  60  -8.616   2.626  -5.548
  487    H    GLU  61           H        GLU  61  -6.828   7.368  -8.535
  488    HA   GLU  61           HA       GLU  61  -9.210   8.977  -8.617
  489   1HB   GLU  61          1HB       GLU  61  -6.839   9.476  -7.663
  490   2HB   GLU  61          2HB       GLU  61  -6.447   9.998  -9.301
  491   1HG   GLU  61          1HG       GLU  61  -7.822  11.841  -9.194
  492   2HG   GLU  61          2HG       GLU  61  -8.962  11.057  -8.099
  493    H    ARG  62           H        ARG  62  -6.881   8.071 -11.173
  494    HA   ARG  62           HA       ARG  62  -8.511   9.616 -13.156
  495   1HB   ARG  62          1HB       ARG  62  -5.696   8.483 -13.137
  496   2HB   ARG  62          2HB       ARG  62  -6.436   9.186 -14.578
  497   1HG   ARG  62          1HG       ARG  62  -6.262  10.670 -11.948
  498   2HG   ARG  62          2HG       ARG  62  -5.015  10.783 -13.189
  499   1HD   ARG  62          1HD       ARG  62  -6.313  12.092 -14.544
  500   2HD   ARG  62          2HD       ARG  62  -7.789  11.182 -14.164
  501    HE   ARG  62           HE       ARG  62  -7.825  12.390 -11.964
  502   1HH1  ARG  62          1HH1      ARG  62  -4.921  13.370 -13.011
  503   2HH1  ARG  62          2HH1      ARG  62  -5.256  15.068 -13.078
  504   1HH2  ARG  62          1HH2      ARG  62  -8.681  14.676 -12.706
  505   2HH2  ARG  62          2HH2      ARG  62  -7.385  15.807 -12.907
  506    H    ALA  63           H        ALA  63  -9.330   6.906 -12.025
  507    HA   ALA  63           HA       ALA  63  -9.002   5.207 -14.474
  508   1HB   ALA  63          1HB       ALA  63 -10.075   3.558 -12.644
  509   2HB   ALA  63          2HB       ALA  63  -9.385   4.752 -11.546
  510   3HB   ALA  63          3HB       ALA  63  -8.344   3.897 -12.684
  511    H    ARG  64           H        ARG  64 -11.043   3.899 -15.053
  512    HA   ARG  64           HA       ARG  64 -13.283   5.677 -15.481
  513   1HB   ARG  64          1HB       ARG  64 -13.035   2.650 -15.638
  514   2HB   ARG  64          2HB       ARG  64 -14.409   3.564 -16.261
  515   1HG   ARG  64          1HG       ARG  64 -13.217   4.424 -18.026
  516   2HG   ARG  64          2HG       ARG  64 -11.701   4.455 -17.124
  517   1HD   ARG  64          1HD       ARG  64 -11.222   2.658 -18.496
  518   2HD   ARG  64          2HD       ARG  64 -12.111   1.770 -17.243
  519    HE   ARG  64           HE       ARG  64 -13.520   2.903 -19.633
  520   1HH1  ARG  64          1HH1      ARG  64 -12.403   0.158 -20.004
  521   2HH1  ARG  64          2HH1      ARG  64 -13.726  -0.847 -19.514
  522   1HH2  ARG  64          1HH2      ARG  64 -15.405   1.706 -17.875
  523   2HH2  ARG  64          2HH2      ARG  64 -15.425   0.029 -18.308
  524    H    ALA  65           H        ALA  65 -15.472   5.521 -14.548
  525    HA   ALA  65           HA       ALA  65 -15.404   4.880 -11.655
  526   1HB   ALA  65          3HB       ALA  65 -17.313   6.245 -13.545
  527   2HB   ALA  65          2HB       ALA  65 -17.822   5.824 -11.909
  528   3HB   ALA  65          1HB       ALA  65 -16.463   6.921 -12.155
  529    H    THR  66           H        THR  66 -15.975   2.889 -14.308
  530    HA   THR  66           HA       THR  66 -18.403   1.561 -13.277
  531    HB   THR  66           HB       THR  66 -16.558   0.398 -15.348
  532    HG1  THR  66           HG1      THR  66 -18.299   2.623 -15.761
  533   1HG2  THR  66          3HG2      THR  66 -19.458   0.351 -14.661
  534   2HG2  THR  66          2HG2      THR  66 -19.026   0.203 -16.364
  535   3HG2  THR  66          1HG2      THR  66 -18.406  -0.961 -15.194
  536    H    THR  67           H        THR  67 -14.863   0.961 -13.242
  537    HA   THR  67           HA       THR  67 -15.353  -1.573 -11.724
  538    HB   THR  67           HB       THR  67 -12.609  -0.694 -12.469
  539    HG1  THR  67           HG1      THR  67 -12.927  -0.958 -14.608
  540   1HG2  THR  67          1HG2      THR  67 -14.243  -3.231 -12.624
  541   2HG2  THR  67          3HG2      THR  67 -12.627  -3.103 -13.319
  542   3HG2  THR  67          2HG2      THR  67 -12.859  -2.893 -11.583
  543    H    LYS  68           H        LYS  68 -14.838  -1.694  -9.516
  544    HA   LYS  68           HA       LYS  68 -13.573   0.742  -8.298
  545   1HB   LYS  68          1HB       LYS  68 -15.546  -1.292  -7.206
  546   2HB   LYS  68          2HB       LYS  68 -14.906   0.076  -6.296
  547   1HG   LYS  68          1HG       LYS  68 -16.073   0.743  -8.940
  548   2HG   LYS  68          2HG       LYS  68 -17.220   0.174  -7.727
  549   1HD   LYS  68          1HD       LYS  68 -15.209   2.191  -6.846
  550   2HD   LYS  68          2HD       LYS  68 -16.505   2.755  -7.903
  551   1HE   LYS  68          1HE       LYS  68 -18.156   1.650  -6.323
  552   2HE   LYS  68          2HE       LYS  68 -16.798   1.383  -5.211
  553   1HZ   LYS  68          2HZ       LYS  68 -17.423   4.027  -6.402
  554   2HZ   LYS  68          1HZ       LYS  68 -18.016   3.537  -4.888
  555   3HZ   LYS  68          3HZ       LYS  68 -16.346   3.690  -5.132
  556    H    LYS  69           H        LYS  69 -11.834   0.394  -6.803
  557    HA   LYS  69           HA       LYS  69 -11.023  -2.455  -6.342
  558   1HB   LYS  69          1HB       LYS  69  -9.647  -0.204  -7.711
  559   2HB   LYS  69          2HB       LYS  69  -8.646  -1.171  -6.628
  560   1HG   LYS  69          1HG       LYS  69  -8.704  -2.988  -7.994
  561   2HG   LYS  69          2HG       LYS  69 -10.414  -2.768  -8.369
  562   1HD   LYS  69          1HD       LYS  69  -9.602  -2.191 -10.426
  563   2HD   LYS  69          2HD       LYS  69  -9.377  -0.620  -9.658
  564   1HE   LYS  69          1HE       LYS  69  -7.081  -0.873  -9.503
  565   2HE   LYS  69          2HE       LYS  69  -7.184  -2.639  -9.351
  566   1HZ   LYS  69          2HZ       LYS  69  -7.836  -1.095 -11.808
  567   2HZ   LYS  69          1HZ       LYS  69  -6.394  -1.959 -11.559
  568   3HZ   LYS  69          3HZ       LYS  69  -7.873  -2.786 -11.647
  569    H    ILE  70           H        ILE  70 -10.121  -2.826  -4.253
  570    HA   ILE  70           HA       ILE  70  -9.692  -2.391  -1.981
  571    HB   ILE  70           HB       ILE  70  -8.747   0.228  -3.200
  572   1HG1  ILE  70          1HG1      ILE  70  -7.227  -2.337  -2.616
  573   2HG1  ILE  70          2HG1      ILE  70  -7.754  -1.828  -4.220
  574   1HG2  ILE  70          2HG2      ILE  70  -9.041   0.107  -0.661
  575   2HG2  ILE  70          1HG2      ILE  70  -7.781  -1.127  -0.670
  576   3HG2  ILE  70          3HG2      ILE  70  -7.420   0.508  -1.228
  577   1HD1  ILE  70          2HD1      ILE  70  -6.243   0.210  -2.691
  578   2HD1  ILE  70          1HD1      ILE  70  -5.316  -1.214  -3.167
  579   3HD1  ILE  70          3HD1      ILE  70  -6.125  -0.238  -4.394
  580    H    GLU  71           H        GLU  71 -11.753  -2.266  -0.977
  581    HA   GLU  71           HA       GLU  71 -13.174   0.372  -1.083
  582   1HB   GLU  71          1HB       GLU  71 -14.073  -2.173  -1.466
  583   2HB   GLU  71          2HB       GLU  71 -14.374  -1.992   0.263
  584   1HG   GLU  71          1HG       GLU  71 -16.330  -1.059  -0.491
  585   2HG   GLU  71          2HG       GLU  71 -15.320   0.384  -0.589
  586    H    ASP  72           H        ASP  72 -13.299   1.637   0.816
  587    HA   ASP  72           HA       ASP  72 -12.803   2.317   3.022
  588   1HB   ASP  72          1HB       ASP  72 -14.375   0.077   3.060
  589   2HB   ASP  72          2HB       ASP  72 -13.004  -0.468   4.026
  590    H    LEU  73           H        LEU  73 -11.399   0.965   5.121
  591    HA   LEU  73           HA       LEU  73  -8.800   0.240   3.820
  592   1HB   LEU  73          1HB       LEU  73  -7.705   1.652   5.556
  593   2HB   LEU  73          2HB       LEU  73  -8.765   2.589   4.507
  594    HG   LEU  73           HG       LEU  73 -10.012   1.450   6.956
  595   1HD1  LEU  73          3HD1      LEU  73  -7.929   3.643   6.964
  596   2HD1  LEU  73          2HD1      LEU  73  -9.148   3.492   8.231
  597   3HD1  LEU  73          1HD1      LEU  73  -7.980   2.196   7.972
  598   1HD2  LEU  73          1HD2      LEU  73 -10.892   3.103   5.041
  599   2HD2  LEU  73          3HD2      LEU  73 -11.436   3.258   6.711
  600   3HD2  LEU  73          2HD2      LEU  73 -10.161   4.311   6.097
  601    H    THR  74           H        THR  74 -10.769  -1.612   4.943
  602    HA   THR  74           HA       THR  74  -9.057  -2.817   7.058
  603    HB   THR  74           HB       THR  74 -11.982  -2.808   7.591
  604    HG1  THR  74           HG1      THR  74 -11.918  -0.697   7.162
  605   1HG2  THR  74          1HG2      THR  74 -10.253  -3.833   9.079
  606   2HG2  THR  74          3HG2      THR  74  -9.574  -2.225   9.335
  607   3HG2  THR  74          2HG2      THR  74 -11.209  -2.589   9.885
  608    H    GLU  75           H        GLU  75  -9.632  -3.573   4.235
  609    HA   GLU  75           HA       GLU  75 -10.913  -6.230   4.761
  610   1HB   GLU  75          1HB       GLU  75 -12.154  -4.234   3.445
  611   2HB   GLU  75          2HB       GLU  75 -11.222  -4.905   2.106
  612   1HG   GLU  75          1HG       GLU  75 -12.137  -7.206   3.045
  613   2HG   GLU  75          2HG       GLU  75 -13.400  -6.176   3.722
  614    H    LEU  76           H        LEU  76  -8.032  -5.539   4.705
  615    HA   LEU  76           HA       LEU  76  -7.227  -7.175   2.334
  616   1HB   LEU  76          1HB       LEU  76  -6.002  -4.599   3.382
  617   2HB   LEU  76          2HB       LEU  76  -5.287  -5.597   2.115
  618    HG   LEU  76           HG       LEU  76  -8.051  -4.355   1.974
  619   1HD1  LEU  76          2HD1      LEU  76  -5.926  -2.834   1.897
  620   2HD1  LEU  76          1HD1      LEU  76  -5.679  -3.551   0.304
  621   3HD1  LEU  76          3HD1      LEU  76  -7.153  -2.644   0.644
  622   1HD2  LEU  76          1HD2      LEU  76  -6.517  -6.269   0.309
  623   2HD2  LEU  76          3HD2      LEU  76  -8.260  -6.030   0.431
  624   3HD2  LEU  76          2HD2      LEU  76  -7.292  -4.956  -0.579
  625    H    GLU  77           H        GLU  77  -5.273  -8.459   2.745
  626    HA   GLU  77           HA       GLU  77  -4.915  -9.142   5.594
  627   1HB   GLU  77          1HB       GLU  77  -4.959 -10.868   3.834
  628   2HB   GLU  77          2HB       GLU  77  -3.564 -10.126   3.051
  629   1HG   GLU  77          1HG       GLU  77  -2.226 -10.533   5.109
  630   2HG   GLU  77          2HG       GLU  77  -3.614 -11.358   5.823
  631    H    GLY  78           H        GLY  78  -3.631  -7.730   6.829
  632   1HA   GLY  78          2HA       GLY  78  -1.281  -6.477   5.514
  633   2HA   GLY  78          1HA       GLY  78  -0.992  -7.493   6.920
  634    H    TRP  79           H        TRP  79  -3.821  -5.309   6.559
  635    HA   TRP  79           HA       TRP  79  -2.671  -3.113   8.033
  636   1HB   TRP  79          1HB       TRP  79  -4.957  -2.292   8.202
  637   2HB   TRP  79          2HB       TRP  79  -4.728  -3.004   6.610
  638    HD1  TRP  79           HD1      TRP  79  -6.379  -4.816   5.910
  639    HE1  TRP  79           HE1      TRP  79  -8.234  -6.161   7.089
  640    HE3  TRP  79           HE3      TRP  79  -5.589  -3.356  10.736
  641    HZ2  TRP  79           HZ2      TRP  79  -9.255  -6.557   9.730
  642    HZ3  TRP  79           HZ3      TRP  79  -7.020  -4.226  12.562
  643    HH2  TRP  79           HH2      TRP  79  -8.851  -5.822  12.066
  644    H    GLU  80           H        GLU  80  -4.236  -6.117   9.162
  645    HA   GLU  80           HA       GLU  80  -4.810  -5.436  11.855
  646   1HB   GLU  80          1HB       GLU  80  -5.031  -7.673  10.461
  647   2HB   GLU  80          2HB       GLU  80  -3.469  -8.046  11.191
  648   1HG   GLU  80          1HG       GLU  80  -4.650  -7.306  13.420
  649   2HG   GLU  80          2HG       GLU  80  -6.131  -7.646  12.523
  650    H    GLU  81           H        GLU  81  -1.626  -6.185  10.381
  651    HA   GLU  81           HA       GLU  81  -0.251  -6.100  12.995
  652   1HB   GLU  81          1HB       GLU  81   0.818  -6.111  10.148
  653   2HB   GLU  81          2HB       GLU  81   1.767  -6.419  11.604
  654   1HG   GLU  81          1HG       GLU  81   0.168  -8.328  12.109
  655   2HG   GLU  81          2HG       GLU  81  -0.494  -8.096  10.491
  656    H    LEU  82           H        LEU  82  -0.784  -3.863  10.249
  657    HA   LEU  82           HA       LEU  82   1.129  -1.858  10.797
  658   1HB   LEU  82          1HB       LEU  82  -1.309  -2.099   9.296
  659   2HB   LEU  82          2HB       LEU  82  -1.389  -0.587  10.193
  660    HG   LEU  82           HG       LEU  82   1.139  -0.402   9.323
  661   1HD1  LEU  82          2HD1      LEU  82  -0.311  -2.034   7.215
  662   2HD1  LEU  82          1HD1      LEU  82   1.244  -1.233   6.986
  663   3HD1  LEU  82          3HD1      LEU  82   1.096  -2.555   8.144
  664   1HD2  LEU  82          1HD2      LEU  82  -1.337   0.228   7.682
  665   2HD2  LEU  82          3HD2      LEU  82  -0.652   1.248   8.948
  666   3HD2  LEU  82          2HD2      LEU  82   0.247   0.970   7.456
  667    H    GLU  83           H        GLU  83   0.423   0.461  11.756
  668    HA   GLU  83           HA       GLU  83  -0.607  -0.081  14.518
  669   1HB   GLU  83          1HB       GLU  83   1.698   1.085  13.646
  670   2HB   GLU  83          2HB       GLU  83   0.671   2.507  13.828
  671   1HG   GLU  83          1HG       GLU  83   0.512   2.275  16.108
  672   2HG   GLU  83          2HG       GLU  83   0.606   0.514  16.039
  673    H    ASP  84           H        ASP  84  -2.037   1.622  15.498
  674    HA   ASP  84           HA       ASP  84  -4.268   2.304  13.835
  675   1HB   ASP  84          1HB       ASP  84  -3.946   2.184  16.452
  676   2HB   ASP  84          2HB       ASP  84  -3.573   3.899  16.288
  677    H    ASN  85           H        ASN  85  -1.502   4.328  14.901
  678    HA   ASN  85           HA       ASN  85  -2.402   6.775  13.685
  679   1HB   ASN  85          1HB       ASN  85  -0.470   6.393  15.336
  680   2HB   ASN  85          2HB       ASN  85   0.485   5.885  13.942
  681   1HD2  ASN  85          2HD2      ASN  85   0.040   8.566  15.826
  682   2HD2  ASN  85          1HD2      ASN  85   0.282   9.778  14.663
  683    H    GLU  86           H        GLU  86  -0.153   4.276  12.405
  684    HA   GLU  86           HA       GLU  86   0.142   5.476   9.798
  685   1HB   GLU  86          1HB       GLU  86   0.288   2.558  10.647
  686   2HB   GLU  86          2HB       GLU  86   0.939   3.210   9.144
  687   1HG   GLU  86          1HG       GLU  86   2.229   4.861  10.705
  688   2HG   GLU  86          2HG       GLU  86   1.884   3.676  11.963
  689    H    LYS  87           H        LYS  87  -2.249   3.140  11.087
  690    HA   LYS  87           HA       LYS  87  -3.572   2.554   8.608
  691   1HB   LYS  87          1HB       LYS  87  -3.900   1.392  10.827
  692   2HB   LYS  87          2HB       LYS  87  -4.823   2.795  11.365
  693   1HG   LYS  87          1HG       LYS  87  -6.548   2.410   9.801
  694   2HG   LYS  87          2HG       LYS  87  -5.538   1.353   8.816
  695   1HD   LYS  87          1HD       LYS  87  -6.707  -0.285   9.912
  696   2HD   LYS  87          2HD       LYS  87  -5.469  -0.017  11.141
  697   1HE   LYS  87          1HE       LYS  87  -7.808   1.811  11.278
  698   2HE   LYS  87          2HE       LYS  87  -8.124   0.114  11.692
  699   1HZ   LYS  87          3HZ       LYS  87  -5.813   1.652  12.742
  700   2HZ   LYS  87          2HZ       LYS  87  -7.284   1.499  13.579
  701   3HZ   LYS  87          1HZ       LYS  87  -6.346   0.123  13.245
  702    H    GLU  88           H        GLU  88  -4.022   5.242  10.936
  703    HA   GLU  88           HA       GLU  88  -6.367   6.409   9.789
  704   1HB   GLU  88          1HB       GLU  88  -4.901   6.991  11.918
  705   2HB   GLU  88          2HB       GLU  88  -4.114   8.119  10.814
  706   1HG   GLU  88          1HG       GLU  88  -6.611   8.764  10.209
  707   2HG   GLU  88          2HG       GLU  88  -6.938   8.104  11.812
  708    H    GLN  89           H        GLN  89  -2.920   6.774   8.851
  709    HA   GLN  89           HA       GLN  89  -3.242   8.878   6.940
  710   1HB   GLN  89          1HB       GLN  89  -1.276   6.724   7.502
  711   2HB   GLN  89          2HB       GLN  89  -1.257   7.339   5.849
  712   1HG   GLN  89          1HG       GLN  89   0.221   8.796   6.929
  713   2HG   GLN  89          2HG       GLN  89  -1.298   9.691   6.992
  714   1HE2  GLN  89          1HE2      GLN  89   1.069   9.725   8.947
  715   2HE2  GLN  89          2HE2      GLN  89   0.372   9.352  10.450
  716    H    ILE  90           H        ILE  90  -3.725   5.351   6.561
  717    HA   ILE  90           HA       ILE  90  -4.149   5.407   3.697
  718    HB   ILE  90           HB       ILE  90  -5.253   3.525   5.822
  719   1HG1  ILE  90          1HG1      ILE  90  -2.960   2.770   4.088
  720   2HG1  ILE  90          2HG1      ILE  90  -2.626   4.000   5.304
  721   1HG2  ILE  90          1HG2      ILE  90  -6.114   3.627   3.265
  722   2HG2  ILE  90          3HG2      ILE  90  -4.680   2.626   3.042
  723   3HG2  ILE  90          2HG2      ILE  90  -5.951   2.112   4.151
  724   1HD1  ILE  90          2HD1      ILE  90  -4.104   2.152   6.729
  725   2HD1  ILE  90          1HD1      ILE  90  -3.159   1.131   5.646
  726   3HD1  ILE  90          3HD1      ILE  90  -2.343   2.258   6.728
  727    H    THR  91           H        THR  91  -6.391   5.810   6.482
  728    HA   THR  91           HA       THR  91  -8.848   5.858   5.022
  729    HB   THR  91           HB       THR  91  -8.102   7.573   7.419
  730    HG1  THR  91           HG1      THR  91  -7.817   5.695   8.336
  731   1HG2  THR  91          3HG2      THR  91 -10.665   6.685   6.143
  732   2HG2  THR  91          2HG2      THR  91 -10.616   6.925   7.890
  733   3HG2  THR  91          1HG2      THR  91 -10.233   8.262   6.804
  734    H    GLN  92           H        GLN  92  -6.479   8.477   5.620
  735    HA   GLN  92           HA       GLN  92  -7.964  10.659   4.526
  736   1HB   GLN  92          1HB       GLN  92  -5.076   9.962   4.893
  737   2HB   GLN  92          2HB       GLN  92  -5.446  11.315   3.823
  738   1HG   GLN  92          1HG       GLN  92  -6.539  11.049   6.636
  739   2HG   GLN  92          2HG       GLN  92  -5.101  11.985   6.227
  740   1HE2  GLN  92          1HE2      GLN  92  -8.168  12.630   7.012
  741   2HE2  GLN  92          2HE2      GLN  92  -8.522  13.894   5.935
  742    H    HIS  93           H        HIS  93  -5.961   8.179   2.867
  743    HA   HIS  93           HA       HIS  93  -6.089   9.332   0.231
  744   1HB   HIS  93          1HB       HIS  93  -5.598   6.620   1.415
  745   2HB   HIS  93          2HB       HIS  93  -5.932   6.703  -0.315
  746    HD1  HIS  93           HD1      HIS  93  -4.126   7.676  -1.826
  747    HD2  HIS  93           HD2      HIS  93  -3.205   8.041   2.222
  748    HE1  HIS  93           HE1      HIS  93  -1.705   8.405  -1.706
  749    H    ILE  94           H        ILE  94  -8.144   6.719   1.675
  750    HA   ILE  94           HA       ILE  94 -10.004   6.652  -0.530
  751    HB   ILE  94           HB       ILE  94 -10.307   5.921   2.409
  752   1HG1  ILE  94          1HG1      ILE  94 -10.275   3.650   0.694
  753   2HG1  ILE  94          2HG1      ILE  94  -8.971   4.697   0.143
  754   1HG2  ILE  94          2HG2      ILE  94 -12.137   5.515   0.041
  755   2HG2  ILE  94          1HG2      ILE  94 -12.169   4.409   1.414
  756   3HG2  ILE  94          3HG2      ILE  94 -12.537   6.118   1.649
  757   1HD1  ILE  94          1HD1      ILE  94  -8.572   4.857   2.814
  758   2HD1  ILE  94          3HD1      ILE  94  -9.275   3.243   2.712
  759   3HD1  ILE  94          2HD1      ILE  94  -7.814   3.626   1.801
  760    H    ALA  95           H        ALA  95  -9.936   8.593   2.480
  761    HA   ALA  95           HA       ALA  95 -12.527   9.808   2.169
  762   1HB   ALA  95          2HB       ALA  95  -9.956  10.801   3.446
  763   2HB   ALA  95          1HB       ALA  95 -11.514  11.604   3.636
  764   3HB   ALA  95          3HB       ALA  95 -11.283   9.970   4.257
  765    H    ASP  96           H        ASP  96  -9.313  10.704   0.855
  766    HA   ASP  96           HA       ASP  96 -10.075  13.239  -0.275
  767   1HB   ASP  96          1HB       ASP  96  -7.756  11.933  -0.060
  768   2HB   ASP  96          2HB       ASP  96  -8.155  11.420  -1.700
  769    H    LEU  97           H        LEU  97 -10.114   9.937  -1.723
  770    HA   LEU  97           HA       LEU  97 -11.138  10.695  -4.294
  771   1HB   LEU  97          1HB       LEU  97 -11.099   8.217  -2.610
  772   2HB   LEU  97          2HB       LEU  97 -12.170   8.233  -4.012
  773    HG   LEU  97           HG       LEU  97 -10.190   8.992  -5.395
  774   1HD1  LEU  97          3HD1      LEU  97  -8.819   8.420  -2.763
  775   2HD1  LEU  97          2HD1      LEU  97  -7.951   8.366  -4.297
  776   3HD1  LEU  97          1HD1      LEU  97  -8.701   9.869  -3.762
  777   1HD2  LEU  97          1HD2      LEU  97 -11.035   6.501  -4.803
  778   2HD2  LEU  97          3HD2      LEU  97  -9.653   6.801  -5.857
  779   3HD2  LEU  97          2HD2      LEU  97  -9.396   6.398  -4.160
  780    H    SER  98           H        SER  98 -12.839  10.084  -1.193
  781    HA   SER  98           HA       SER  98 -15.448  10.638  -2.552
  782   1HB   SER  98          1HB       SER  98 -14.668   9.493   0.148
  783   2HB   SER  98          2HB       SER  98 -16.337   9.806  -0.324
  784    HG   SER  98           HG       SER  98 -15.733   7.662  -0.790
  785    H    SER  99           H        SER  99 -14.492  13.023  -2.654
  786    HA   SER  99           HA       SER  99 -14.908  14.419  -0.031
  787   1HB   SER  99          1HB       SER  99 -12.761  14.855  -1.018
  788   2HB   SER  99          2HB       SER  99 -13.471  15.108  -2.609
  789    HG   SER  99           HG       SER  99 -13.083  17.104  -1.708
  790    H    LYS 100           H        LYS 100 -15.554  16.990  -0.990
  791    HA   LYS 100           HA       LYS 100 -18.198  16.489  -2.323
  792   1HB   LYS 100          1HB       LYS 100 -18.217  17.216   0.060
  793   2HB   LYS 100          2HB       LYS 100 -17.330  18.670  -0.396
  794   1HG   LYS 100          1HG       LYS 100 -19.608  19.342  -0.354
  795   2HG   LYS 100          2HG       LYS 100 -19.241  19.106  -2.063
  796   1HD   LYS 100          1HD       LYS 100 -21.204  17.893  -1.923
  797   2HD   LYS 100          2HD       LYS 100 -20.046  16.625  -1.524
  798   1HE   LYS 100          1HE       LYS 100 -21.386  16.355   0.324
  799   2HE   LYS 100          2HE       LYS 100 -20.468  17.740   0.946
  800   1HZ   LYS 100          2HZ       LYS 100 -22.080  19.225  -0.066
  801   2HZ   LYS 100          1HZ       LYS 100 -22.969  17.903  -0.654
  802   3HZ   LYS 100          3HZ       LYS 100 -22.855  18.172   1.017
  803    H    ALA 101           H        ALA 101 -15.841  19.215  -1.868
  804    HA   ALA 101           HA       ALA 101 -15.936  19.716  -4.798
  805   1HB   ALA 101          3HB       ALA 101 -17.160  21.356  -2.626
  806   2HB   ALA 101          1HB       ALA 101 -17.695  21.123  -4.290
  807   3HB   ALA 101          2HB       ALA 101 -16.365  22.227  -3.938
  808    H    ALA 102           H        ALA 102 -13.936  20.527  -5.527
  809    HA   ALA 102           HA       ALA 102 -12.121  21.840  -3.562
  810   1HB   ALA 102          3HB       ALA 102 -11.882  19.268  -3.673
  811   2HB   ALA 102          2HB       ALA 102 -11.218  19.526  -5.285
  812   3HB   ALA 102          1HB       ALA 102 -10.410  20.216  -3.877
  813    H    GLY 103           H        GLY 103 -12.571  23.747  -5.008
  814   1HA   GLY 103          2HA       GLY 103 -12.534  24.437  -7.478
  815   2HA   GLY 103          1HA       GLY 103 -11.003  23.563  -7.551
  816    H    THR 104           H        THR 104 -10.851  26.196  -8.280
  817    HA   THR 104           HA       THR 104  -9.861  27.638  -5.842
  818    HB   THR 104           HB       THR 104  -7.992  28.377  -7.482
  819    HG1  THR 104           HG1      THR 104  -7.738  27.148  -9.257
  820   1HG2  THR 104          3HG2      THR 104  -7.865  26.666  -5.566
  821   2HG2  THR 104          2HG2      THR 104  -7.993  25.433  -6.821
  822   3HG2  THR 104          1HG2      THR 104  -6.631  26.553  -6.822
  823    HA   PRO 105           HA       PRO 105 -12.174  30.974  -7.608
  824   1HB   PRO 105          1HB       PRO 105 -10.945  33.106  -6.414
  825   2HB   PRO 105          2HB       PRO 105 -12.051  32.021  -5.549
  826   1HG   PRO 105          1HG       PRO 105  -9.079  32.098  -5.537
  827   2HG   PRO 105          2HG       PRO 105 -10.205  31.770  -4.212
  828   1HD   PRO 105          1HD       PRO 105  -8.824  29.827  -5.550
  829   2HD   PRO 105          2HD       PRO 105 -10.382  29.554  -4.739
  830    H    LYS 106           H        LYS 106 -11.262  30.611  -9.838
  831    HA   LYS 106           HA       LYS 106  -9.380  32.802 -10.599
  832   1HB   LYS 106          1HB       LYS 106  -8.299  30.487 -10.161
  833   2HB   LYS 106          2HB       LYS 106  -9.110  29.979 -11.642
  834   1HG   LYS 106          1HG       LYS 106  -7.781  31.287 -12.986
  835   2HG   LYS 106          2HG       LYS 106  -7.580  32.532 -11.752
  836   1HD   LYS 106          1HD       LYS 106  -6.196  30.761 -10.471
  837   2HD   LYS 106          2HD       LYS 106  -6.135  29.897 -12.007
  838   1HE   LYS 106          1HE       LYS 106  -5.428  32.332 -12.902
  839   2HE   LYS 106          2HE       LYS 106  -4.830  32.467 -11.236
  840   1HZ   LYS 106          1HZ       LYS 106  -4.284  30.195 -13.076
  841   2HZ   LYS 106          3HZ       LYS 106  -3.182  31.427 -12.696
  842   3HZ   LYS 106          2HZ       LYS 106  -3.705  30.354 -11.487
  843    H    LYS 107           H        LYS 107  -9.466  33.211 -13.022
  844    HA   LYS 107           HA       LYS 107 -12.125  32.391 -14.151
  845   1HB   LYS 107          1HB       LYS 107 -10.637  34.927 -13.876
  846   2HB   LYS 107          2HB       LYS 107 -11.337  34.674 -15.474
  847   1HG   LYS 107          1HG       LYS 107 -13.477  33.977 -14.100
  848   2HG   LYS 107          2HG       LYS 107 -12.718  34.930 -12.823
  849   1HD   LYS 107          1HD       LYS 107 -13.002  36.910 -13.941
  850   2HD   LYS 107          2HD       LYS 107 -12.783  36.166 -15.525
  851   1HE   LYS 107          1HE       LYS 107 -15.063  35.079 -15.221
  852   2HE   LYS 107          2HE       LYS 107 -15.278  36.123 -13.801
  853   1HZ   LYS 107          3HZ       LYS 107 -14.487  37.131 -16.481
  854   2HZ   LYS 107          2HZ       LYS 107 -16.093  37.112 -15.926
  855   3HZ   LYS 107          1HZ       LYS 107 -14.926  38.051 -15.126
  856    H    LYS 108           H        LYS 108  -8.978  33.688 -15.397
  857    HA   LYS 108           HA       LYS 108  -9.014  31.487 -17.438
  858   1HB   LYS 108          1HB       LYS 108  -8.971  34.444 -17.669
  859   2HB   LYS 108          2HB       LYS 108  -7.852  33.589 -18.730
  860   1HG   LYS 108          1HG       LYS 108  -9.547  32.520 -19.892
  861   2HG   LYS 108          2HG       LYS 108 -10.664  32.584 -18.527
  862   1HD   LYS 108          1HD       LYS 108 -11.358  34.722 -19.014
  863   2HD   LYS 108          2HD       LYS 108  -9.796  35.187 -19.691
  864   1HE   LYS 108          1HE       LYS 108 -10.491  33.353 -21.531
  865   2HE   LYS 108          2HE       LYS 108 -12.113  33.864 -21.026
  866   1HZ   LYS 108          2HZ       LYS 108  -9.927  35.768 -21.660
  867   2HZ   LYS 108          1HZ       LYS 108 -11.084  35.276 -22.801
  868   3HZ   LYS 108          3HZ       LYS 108 -11.570  36.124 -21.415
  869    H    ALA 109           H        ALA 109  -6.737  31.181 -18.421
  870    HA   ALA 109           HA       ALA 109  -4.646  31.735 -16.338
  871   1HB   ALA 109          3HB       ALA 109  -5.618  29.342 -17.042
  872   2HB   ALA 109          2HB       ALA 109  -4.431  29.517 -18.334
  873   3HB   ALA 109          1HB       ALA 109  -3.913  29.558 -16.649
  874    H    VAL 110           H        VAL 110  -2.396  32.021 -17.256
  875    HA   VAL 110           HA       VAL 110  -2.430  32.973 -20.100
  876    HB   VAL 110           HB       VAL 110  -2.581  34.854 -18.524
  877   1HG1  VAL 110          2HG1      VAL 110  -0.340  33.378 -17.199
  878   2HG1  VAL 110          1HG1      VAL 110  -0.338  35.138 -17.118
  879   3HG1  VAL 110          3HG1      VAL 110  -1.705  34.227 -16.478
  880   1HG2  VAL 110          2HG2      VAL 110   0.163  34.521 -19.775
  881   2HG2  VAL 110          1HG2      VAL 110  -1.262  35.223 -20.541
  882   3HG2  VAL 110          3HG2      VAL 110  -0.488  36.052 -19.190
  883    H    VAL 111           H        VAL 111  -0.418  32.627 -21.257
  884    HA   VAL 111           HA       VAL 111   1.703  31.124 -19.774
  885    HB   VAL 111           HB       VAL 111   1.735  29.511 -21.677
  886   1HG1  VAL 111          1HG1      VAL 111   0.204  29.398 -19.530
  887   2HG1  VAL 111          3HG1      VAL 111  -1.100  29.594 -20.702
  888   3HG1  VAL 111          2HG1      VAL 111  -0.002  28.222 -20.827
  889   1HG2  VAL 111          2HG2      VAL 111   0.230  31.486 -22.981
  890   2HG2  VAL 111          1HG2      VAL 111   0.562  29.864 -23.580
  891   3HG2  VAL 111          3HG2      VAL 111  -0.923  30.189 -22.688
  892    H    GLN 112           H        GLN 112   3.837  31.525 -20.577
  893    HA   GLN 112           HA       GLN 112   4.037  33.342 -22.957
  894   1HB   GLN 112          1HB       GLN 112   5.150  33.578 -20.161
  895   2HB   GLN 112          2HB       GLN 112   5.923  34.408 -21.512
  896   1HG   GLN 112          1HG       GLN 112   2.975  34.671 -20.870
  897   2HG   GLN 112          2HG       GLN 112   4.201  35.793 -20.276
  898   1HE2  GLN 112          1HE2      GLN 112   5.467  37.032 -21.982
  899   2HE2  GLN 112          2HE2      GLN 112   4.751  37.288 -23.499
  900    H    ALA 113           H        ALA 113   4.769  31.434 -24.214
  901    HA   ALA 113           HA       ALA 113   7.496  30.466 -23.404
  902   1HB   ALA 113          1HB       ALA 113   5.151  29.118 -24.771
  903   2HB   ALA 113          2HB       ALA 113   5.875  28.697 -23.219
  904   3HB   ALA 113          3HB       ALA 113   6.763  28.403 -24.714
  905    H    LYS 114           H        LYS 114   9.105  31.013 -24.890
  906    HA   LYS 114           HA       LYS 114   8.225  31.717 -27.675
  907   1HB   LYS 114          1HB       LYS 114  10.417  32.813 -25.884
  908   2HB   LYS 114          2HB       LYS 114  10.208  33.272 -27.574
  909   1HG   LYS 114          1HG       LYS 114   7.856  33.975 -27.019
  910   2HG   LYS 114          2HG       LYS 114   8.227  33.685 -25.319
  911   1HD   LYS 114          1HD       LYS 114  10.022  35.341 -25.389
  912   2HD   LYS 114          2HD       LYS 114   9.760  35.587 -27.116
  913   1HE   LYS 114          1HE       LYS 114   8.441  37.321 -26.356
  914   2HE   LYS 114          2HE       LYS 114   7.237  36.028 -26.182
  915   1HZ   LYS 114          2HZ       LYS 114   9.195  36.829 -24.092
  916   2HZ   LYS 114          1HZ       LYS 114   7.554  37.270 -24.103
  917   3HZ   LYS 114          3HZ       LYS 114   7.991  35.640 -23.938
  918    H    LEU 115           H        LEU 115   8.732  29.728 -28.747
  919    HA   LEU 115           HA       LEU 115  11.552  28.747 -28.425
  920   1HB   LEU 115          1HB       LEU 115   8.873  27.479 -28.692
  921   2HB   LEU 115          2HB       LEU 115  10.201  26.675 -29.527
  922    HG   LEU 115           HG       LEU 115  10.426  27.533 -26.640
  923   1HD1  LEU 115          3HD1      LEU 115   8.482  26.002 -26.894
  924   2HD1  LEU 115          2HD1      LEU 115   9.529  24.835 -27.702
  925   3HD1  LEU 115          1HD1      LEU 115   9.806  25.245 -26.010
  926   1HD2  LEU 115          1HD2      LEU 115  12.437  26.917 -28.137
  927   2HD2  LEU 115          3HD2      LEU 115  12.295  26.067 -26.598
  928   3HD2  LEU 115          2HD2      LEU 115  11.806  25.270 -28.092
  929    H    THR 116           H        THR 116  12.835  28.951 -30.274
  930    HA   THR 116           HA       THR 116  11.465  29.046 -32.933
  931    HB   THR 116           HB       THR 116  13.744  30.892 -32.293
  932    HG1  THR 116           HG1      THR 116  12.400  32.313 -31.330
  933   1HG2  THR 116          1HG2      THR 116  12.661  30.564 -34.592
  934   2HG2  THR 116          3HG2      THR 116  11.243  31.367 -33.919
  935   3HG2  THR 116          2HG2      THR 116  12.780  32.225 -34.013
  936    H    THR 117           H        THR 117  12.338  26.982 -33.573
  937    HA   THR 117           HA       THR 117  15.338  26.833 -33.646
  938    HB   THR 117           HB       THR 117  14.627  24.269 -33.731
  939    HG1  THR 117           HG1      THR 117  12.709  23.916 -32.693
  940   1HG2  THR 117          2HG2      THR 117  14.553  26.008 -31.250
  941   2HG2  THR 117          1HG2      THR 117  14.709  24.250 -31.234
  942   3HG2  THR 117          3HG2      THR 117  15.977  25.241 -31.954

  No H/Q in entry =         942
  Start of MODEL   18
    1    H1   MET   1           H        MET   1 -13.755 -18.241  -4.056
    2    H2   MET   1           HN2      MET   1 -12.572 -17.896  -5.226
    3    HA   MET   1           HA       MET   1 -12.081 -18.234  -2.307
    4   1HB   MET   1          1HB       MET   1 -12.678 -20.123  -4.160
    5   2HB   MET   1          2HB       MET   1 -10.938 -19.986  -4.422
    6   1HG   MET   1          1HG       MET   1 -10.420 -20.694  -2.262
    7   2HG   MET   1          2HG       MET   1 -11.988 -20.205  -1.617
    8   1HE   MET   1          3HE       MET   1 -10.394 -21.961  -4.340
    9   2HE   MET   1          2HE       MET   1 -10.214 -23.531  -3.563
   10   3HE   MET   1          1HE       MET   1 -11.449 -23.304  -4.799
   11    H    ALA   2           H        ALA   2 -10.442 -18.174  -5.545
   12    HA   ALA   2           HA       ALA   2  -8.375 -16.370  -4.352
   13   1HB   ALA   2          3HB       ALA   2  -7.719 -18.798  -4.249
   14   2HB   ALA   2          2HB       ALA   2  -7.833 -18.855  -6.008
   15   3HB   ALA   2          1HB       ALA   2  -6.630 -17.822  -5.235
   16    H    GLU   3           H        GLU   3  -9.908 -14.919  -5.818
   17    HA   GLU   3           HA       GLU   3  -8.935 -15.060  -8.656
   18   1HB   GLU   3          1HB       GLU   3 -11.470 -15.389  -7.791
   19   2HB   GLU   3          2HB       GLU   3 -11.444 -13.629  -7.919
   20   1HG   GLU   3          1HG       GLU   3 -12.163 -14.426 -10.055
   21   2HG   GLU   3          2HG       GLU   3 -10.478 -13.944 -10.260
   22    H    GLN   4           H        GLN   4 -10.335 -12.665  -6.317
   23    HA   GLN   4           HA       GLN   4  -8.218 -10.738  -7.222
   24   1HB   GLN   4          1HB       GLN   4 -11.200 -10.548  -7.024
   25   2HB   GLN   4          2HB       GLN   4 -10.256  -9.100  -6.675
   26   1HG   GLN   4          1HG       GLN   4  -9.488 -10.625  -9.111
   27   2HG   GLN   4          2HG       GLN   4 -11.024  -9.759  -9.174
   28   1HE2  GLN   4          1HE2      GLN   4  -8.464  -9.059 -10.624
   29   2HE2  GLN   4          2HE2      GLN   4  -8.077  -7.490 -10.103
   30    H    ARG   5           H        ARG   5  -6.891 -10.574  -5.376
   31    HA   ARG   5           HA       ARG   5  -8.262  -9.902  -2.803
   32   1HB   ARG   5          1HB       ARG   5  -6.571 -12.221  -3.531
   33   2HB   ARG   5          2HB       ARG   5  -6.130 -11.434  -2.014
   34   1HG   ARG   5          1HG       ARG   5  -8.341 -11.730  -1.121
   35   2HG   ARG   5          2HG       ARG   5  -8.967 -12.251  -2.686
   36   1HD   ARG   5          1HD       ARG   5  -8.192 -14.386  -2.416
   37   2HD   ARG   5          2HD       ARG   5  -6.676 -13.839  -1.671
   38    HE   ARG   5           HE       ARG   5  -9.241 -14.260  -0.245
   39   1HH1  ARG   5          1HH1      ARG   5  -6.060 -14.860   0.079
   40   2HH1  ARG   5          2HH1      ARG   5  -5.846 -14.121   1.631
   41   1HH2  ARG   5          1HH2      ARG   5  -8.944 -12.564   1.610
   42   2HH2  ARG   5          2HH2      ARG   5  -7.479 -12.821   2.498
   43    H    PHE   6           H        PHE   6  -7.171  -8.263  -1.643
   44    HA   PHE   6           HA       PHE   6  -4.566  -7.319  -2.809
   45   1HB   PHE   6          1HB       PHE   6  -7.097  -6.052  -1.976
   46   2HB   PHE   6          2HB       PHE   6  -5.661  -5.233  -1.374
   47    HD1  PHE   6           HD1      PHE   6  -7.286  -6.505  -4.472
   48    HD2  PHE   6           HD2      PHE   6  -4.302  -3.912  -2.796
   49    HE1  PHE   6           HE1      PHE   6  -6.971  -5.436  -6.687
   50    HE2  PHE   6           HE2      PHE   6  -3.984  -2.844  -5.006
   51    HZ   PHE   6           HZ       PHE   6  -5.320  -3.605  -6.955
   52    H    CYS   7           H        CYS   7  -2.874  -6.807  -1.303
   53    HA   CYS   7           HA       CYS   7  -3.436  -7.420   1.585
   54   1HB   CYS   7          1HB       CYS   7  -1.355  -8.425  -0.343
   55   2HB   CYS   7          2HB       CYS   7  -0.947  -8.301   1.369
   56    HG   CYS   7           HG       CYS   7  -2.391 -10.584   0.312
   57    H    VAL   8           H        VAL   8  -1.867  -6.252   3.065
   58    HA   VAL   8           HA       VAL   8  -0.594  -3.900   1.701
   59    HB   VAL   8           HB       VAL   8  -1.260  -2.597   3.749
   60   1HG1  VAL   8          2HG1      VAL   8  -2.567  -2.598   1.624
   61   2HG1  VAL   8          1HG1      VAL   8  -3.561  -3.900   2.275
   62   3HG1  VAL   8          3HG1      VAL   8  -3.569  -2.315   3.048
   63   1HG2  VAL   8          3HG2      VAL   8  -1.777  -5.081   4.859
   64   2HG2  VAL   8          2HG2      VAL   8  -2.328  -3.546   5.514
   65   3HG2  VAL   8          1HG2      VAL   8  -3.391  -4.494   4.474
   66    H    ASP   9           H        ASP   9   1.607  -4.390   1.830
   67    HA   ASP   9           HA       ASP   9   2.648  -5.472   4.422
   68   1HB   ASP   9          1HB       ASP   9   3.105  -6.197   1.833
   69   2HB   ASP   9          2HB       ASP   9   4.430  -5.058   2.080
   70    H    TYR  10           H        TYR  10   4.133  -4.242   5.680
   71    HA   TYR  10           HA       TYR  10   4.454  -1.383   4.827
   72   1HB   TYR  10          1HB       TYR  10   4.477  -2.872   7.461
   73   2HB   TYR  10          2HB       TYR  10   5.091  -1.224   7.342
   74    HD1  TYR  10           HD1      TYR  10   3.521   0.525   6.194
   75    HD2  TYR  10           HD2      TYR  10   2.178  -3.239   7.775
   76    HE1  TYR  10           HE1      TYR  10   1.202   1.397   6.317
   77    HE2  TYR  10           HE2      TYR  10  -0.133  -2.365   7.900
   78    HH   TYR  10           HH       TYR  10  -0.942   0.704   7.893
   79    H    ALA  11           H        ALA  11   6.531  -0.611   4.350
   80    HA   ALA  11           HA       ALA  11   8.738  -2.372   3.926
   81   1HB   ALA  11          2HB       ALA  11   9.185   0.510   4.650
   82   2HB   ALA  11          3HB       ALA  11   8.236   0.132   3.213
   83   3HB   ALA  11          1HB       ALA  11   9.902  -0.432   3.343
   84    H    LYS  12           H        LYS  12  10.313  -3.221   5.309
   85    HA   LYS  12           HA       LYS  12  10.334  -2.191   8.129
   86   1HB   LYS  12          1HB       LYS  12   9.395  -4.463   7.795
   87   2HB   LYS  12          2HB       LYS  12  10.894  -4.960   7.011
   88   1HG   LYS  12          1HG       LYS  12  12.121  -4.871   8.998
   89   2HG   LYS  12          2HG       LYS  12  10.986  -3.760   9.765
   90   1HD   LYS  12          1HD       LYS  12  10.707  -5.962  10.758
   91   2HD   LYS  12          2HD       LYS  12   9.282  -5.597   9.783
   92   1HE   LYS  12          1HE       LYS  12   9.763  -7.758   9.037
   93   2HE   LYS  12          2HE       LYS  12  10.716  -6.809   7.879
   94   1HZ   LYS  12          2HZ       LYS  12  11.771  -7.720  10.498
   95   2HZ   LYS  12          1HZ       LYS  12  11.988  -8.597   9.060
   96   3HZ   LYS  12          3HZ       LYS  12  12.646  -7.040   9.209
   97    H    ARG  13           H        ARG  13  12.468  -4.032   5.843
   98    HA   ARG  13           HA       ARG  13  14.672  -2.126   6.395
   99   1HB   ARG  13          1HB       ARG  13  14.393  -4.125   8.125
  100   2HB   ARG  13          2HB       ARG  13  15.210  -5.038   6.855
  101   1HG   ARG  13          1HG       ARG  13  16.817  -2.903   6.878
  102   2HG   ARG  13          2HG       ARG  13  16.238  -2.798   8.541
  103   1HD   ARG  13          1HD       ARG  13  16.936  -5.134   8.944
  104   2HD   ARG  13          2HD       ARG  13  17.522  -5.245   7.272
  105    HE   ARG  13           HE       ARG  13  19.201  -3.539   7.803
  106   1HH1  ARG  13          1HH1      ARG  13  20.559  -4.913   9.616
  107   2HH1  ARG  13          2HH1      ARG  13  20.226  -4.270  11.190
  108   1HH2  ARG  13          1HH2      ARG  13  17.353  -2.606  10.189
  109   2HH2  ARG  13          2HH2      ARG  13  18.410  -2.964  11.513
  110    H    GLY  14           H        GLY  14  13.219  -2.813   3.932
  111   1HA   GLY  14          2HA       GLY  14  13.921  -4.569   2.109
  112   2HA   GLY  14          1HA       GLY  14  15.521  -3.872   2.367
  113    H    THR  15           H        THR  15  15.060  -3.411  -0.109
  114    HA   THR  15           HA       THR  15  13.360  -0.989  -0.471
  115    HB   THR  15           HB       THR  15  16.281  -1.150  -1.265
  116    HG1  THR  15           HG1      THR  15  16.735  -0.078   0.570
  117   1HG2  THR  15          1HG2      THR  15  14.372   0.465  -2.271
  118   2HG2  THR  15          3HG2      THR  15  14.832   1.411  -0.854
  119   3HG2  THR  15          2HG2      THR  15  16.044   0.983  -2.061
  120    H    ALA  16           H        ALA  16  12.222  -1.218  -2.409
  121    HA   ALA  16           HA       ALA  16  13.549  -2.565  -4.698
  122   1HB   ALA  16          1HB       ALA  16  10.784  -3.465  -3.968
  123   2HB   ALA  16          3HB       ALA  16  12.080  -4.368  -4.753
  124   3HB   ALA  16          2HB       ALA  16  12.129  -4.090  -3.013
  125    H    GLY  17           H        GLY  17  12.757  -1.828  -6.727
  126   1HA   GLY  17          2HA       GLY  17  11.555  -0.461  -8.211
  127   2HA   GLY  17          1HA       GLY  17  11.421   0.669  -6.860
  128    H    CYS  18           H        CYS  18   9.249   1.187  -6.613
  129    HA   CYS  18           HA       CYS  18   7.372  -0.847  -5.835
  130   1HB   CYS  18          1HB       CYS  18   5.738   0.975  -5.850
  131   2HB   CYS  18          2HB       CYS  18   7.254   1.529  -5.162
  132    H    LYS  19           H        LYS  19   6.289  -2.295  -7.075
  133    HA   LYS  19           HA       LYS  19   6.409  -2.244  -9.981
  134   1HB   LYS  19          1HB       LYS  19   4.991  -3.867  -7.878
  135   2HB   LYS  19          2HB       LYS  19   4.518  -4.051  -9.565
  136   1HG   LYS  19          1HG       LYS  19   7.438  -4.084  -9.047
  137   2HG   LYS  19          2HG       LYS  19   6.537  -5.464  -8.422
  138   1HD   LYS  19          1HD       LYS  19   6.812  -6.280 -10.535
  139   2HD   LYS  19          2HD       LYS  19   5.432  -5.244 -10.900
  140   1HE   LYS  19          1HE       LYS  19   7.532  -3.464 -11.088
  141   2HE   LYS  19          2HE       LYS  19   8.244  -4.957 -11.729
  142   1HZ   LYS  19          3HZ       LYS  19   5.597  -3.861 -12.523
  143   2HZ   LYS  19          2HZ       LYS  19   7.020  -3.704 -13.437
  144   3HZ   LYS  19          1HZ       LYS  19   6.347  -5.240 -13.165
  145    H    LYS  20           H        LYS  20   4.497  -1.955 -11.444
  146    HA   LYS  20           HA       LYS  20   2.553  -0.833 -12.152
  147   1HB   LYS  20          1HB       LYS  20   1.885  -2.113  -9.844
  148   2HB   LYS  20          2HB       LYS  20   1.562  -0.444  -9.377
  149   1HG   LYS  20          1HG       LYS  20  -0.429  -0.674 -10.424
  150   2HG   LYS  20          2HG       LYS  20   0.475  -0.607 -11.936
  151   1HD   LYS  20          1HD       LYS  20  -0.017  -3.171 -10.397
  152   2HD   LYS  20          2HD       LYS  20  -1.047  -2.614 -11.716
  153   1HE   LYS  20          1HE       LYS  20   1.902  -2.732 -12.223
  154   2HE   LYS  20          2HE       LYS  20   0.995  -4.258 -12.201
  155   1HZ   LYS  20          2HZ       LYS  20  -0.618  -3.272 -13.718
  156   2HZ   LYS  20          1HZ       LYS  20   0.287  -1.836 -13.773
  157   3HZ   LYS  20          3HZ       LYS  20   0.936  -3.269 -14.406
  158    H    CYS  21           H        CYS  21   5.053   0.712 -10.815
  159    HA   CYS  21           HA       CYS  21   4.123   3.318 -11.491
  160   1HB   CYS  21          1HB       CYS  21   4.153   4.290  -9.158
  161   2HB   CYS  21          2HB       CYS  21   2.777   3.270  -9.526
  162    H    LYS  22           H        LYS  22   5.855   4.908 -11.436
  163    HA   LYS  22           HA       LYS  22   8.536   3.654 -11.330
  164   1HB   LYS  22          1HB       LYS  22   7.576   6.431 -12.089
  165   2HB   LYS  22          2HB       LYS  22   9.229   5.856 -12.296
  166   1HG   LYS  22          1HG       LYS  22   7.073   4.133 -13.409
  167   2HG   LYS  22          2HG       LYS  22   7.375   5.658 -14.243
  168   1HD   LYS  22          1HD       LYS  22   9.877   4.983 -14.126
  169   2HD   LYS  22          2HD       LYS  22   9.273   3.361 -13.785
  170   1HE   LYS  22          1HE       LYS  22   8.138   3.229 -15.883
  171   2HE   LYS  22          2HE       LYS  22   8.324   4.971 -16.173
  172   1HZ   LYS  22          1HZ       LYS  22  10.742   4.655 -16.116
  173   2HZ   LYS  22          3HZ       LYS  22  10.522   2.981 -15.952
  174   3HZ   LYS  22          2HZ       LYS  22  10.022   3.768 -17.373
  175    H    GLU  23           H        GLU  23   8.871   3.363  -9.016
  176    HA   GLU  23           HA       GLU  23  10.065   5.686  -7.720
  177   1HB   GLU  23          1HB       GLU  23   7.366   5.574  -7.474
  178   2HB   GLU  23          2HB       GLU  23   7.840   4.607  -6.085
  179   1HG   GLU  23          1HG       GLU  23   8.670   6.369  -4.955
  180   2HG   GLU  23          2HG       GLU  23   9.427   7.058  -6.394
  181    H    LYS  24           H        LYS  24  10.344   4.882  -5.131
  182    HA   LYS  24           HA       LYS  24  11.225   2.002  -5.241
  183   1HB   LYS  24          1HB       LYS  24  13.255   2.760  -4.011
  184   2HB   LYS  24          2HB       LYS  24  13.126   3.537  -5.588
  185   1HG   LYS  24          1HG       LYS  24  12.391   5.590  -4.635
  186   2HG   LYS  24          2HG       LYS  24  12.050   4.834  -3.078
  187   1HD   LYS  24          1HD       LYS  24  14.258   4.828  -2.441
  188   2HD   LYS  24          2HD       LYS  24  14.843   4.630  -4.093
  189   1HE   LYS  24          1HE       LYS  24  13.453   7.197  -3.462
  190   2HE   LYS  24          2HE       LYS  24  15.086   6.972  -2.803
  191   1HZ   LYS  24          1HZ       LYS  24  15.747   6.195  -5.065
  192   2HZ   LYS  24          3HZ       LYS  24  14.236   6.710  -5.636
  193   3HZ   LYS  24          2HZ       LYS  24  15.328   7.839  -4.991
  194    H    ILE  25           H        ILE  25  11.050   0.895  -3.185
  195    HA   ILE  25           HA       ILE  25   9.286   2.312  -1.222
  196    HB   ILE  25           HB       ILE  25   9.913  -0.627  -1.690
  197   1HG1  ILE  25          1HG1      ILE  25   7.282   0.775  -2.153
  198   2HG1  ILE  25          2HG1      ILE  25   8.533   0.784  -3.397
  199   1HG2  ILE  25          2HG2      ILE  25   8.290   0.832   0.362
  200   2HG2  ILE  25          1HG2      ILE  25   7.673  -0.701  -0.254
  201   3HG2  ILE  25          3HG2      ILE  25   9.249  -0.638   0.532
  202   1HD1  ILE  25          3HD1      ILE  25   7.421  -1.722  -2.103
  203   2HD1  ILE  25          2HD1      ILE  25   6.915  -1.098  -3.674
  204   3HD1  ILE  25          1HD1      ILE  25   8.574  -1.653  -3.437
  205    H    VAL  26           H        VAL  26  10.048   2.755   0.858
  206    HA   VAL  26           HA       VAL  26  12.595   1.442   1.743
  207    HB   VAL  26           HB       VAL  26  13.352   3.693   2.478
  208   1HG1  VAL  26          3HG1      VAL  26  13.515   2.646   0.002
  209   2HG1  VAL  26          2HG1      VAL  26  12.637   4.128  -0.379
  210   3HG1  VAL  26          1HG1      VAL  26  14.211   4.213   0.414
  211   1HG2  VAL  26          3HG2      VAL  26  11.012   4.625   2.706
  212   2HG2  VAL  26          2HG2      VAL  26  12.127   5.684   1.845
  213   3HG2  VAL  26          1HG2      VAL  26  10.946   4.732   0.946
  214    H    LYS  27           H        LYS  27  12.951   1.857   4.153
  215    HA   LYS  27           HA       LYS  27  10.878   0.879   5.773
  216   1HB   LYS  27          1HB       LYS  27  13.293   1.224   6.400
  217   2HB   LYS  27          2HB       LYS  27  12.944   2.939   6.623
  218   1HG   LYS  27          1HG       LYS  27  11.231   0.918   8.029
  219   2HG   LYS  27          2HG       LYS  27  12.829   1.285   8.681
  220   1HD   LYS  27          1HD       LYS  27  12.016   3.793   8.294
  221   2HD   LYS  27          2HD       LYS  27  10.426   3.047   8.453
  222   1HE   LYS  27          1HE       LYS  27  10.932   3.556  10.690
  223   2HE   LYS  27          2HE       LYS  27  11.529   1.889  10.571
  224   1HZ   LYS  27          1HZ       LYS  27  13.157   4.320  10.048
  225   2HZ   LYS  27          3HZ       LYS  27  13.215   3.411  11.479
  226   3HZ   LYS  27          2HZ       LYS  27  13.709   2.713  10.011
  227    H    GLY  28           H        GLY  28   8.901   1.708   6.454
  228   1HA   GLY  28          2HA       GLY  28   8.629   4.661   6.696
  229   2HA   GLY  28          1HA       GLY  28   7.572   3.476   7.456
  230    H    VAL  29           H        VAL  29   7.811   2.180   4.435
  231    HA   VAL  29           HA       VAL  29   5.730   3.983   3.261
  232    HB   VAL  29           HB       VAL  29   7.731   2.030   2.068
  233   1HG1  VAL  29          2HG1      VAL  29   5.489   3.582   0.749
  234   2HG1  VAL  29          1HG1      VAL  29   6.849   2.904  -0.143
  235   3HG1  VAL  29          3HG1      VAL  29   5.743   1.838   0.722
  236   1HG2  VAL  29          2HG2      VAL  29   7.495   5.001   2.293
  237   2HG2  VAL  29          1HG2      VAL  29   8.931   3.981   2.374
  238   3HG2  VAL  29          3HG2      VAL  29   8.193   4.342   0.811
  239    H    CYS  30           H        CYS  30   3.674   3.110   2.880
  240    HA   CYS  30           HA       CYS  30   3.199   0.301   3.768
  241   1HB   CYS  30          1HB       CYS  30   1.752   2.172   4.559
  242   2HB   CYS  30          2HB       CYS  30   1.306   2.523   2.891
  243    HG   CYS  30           HG       CYS  30  -0.448   0.799   3.129
  244    H    ARG  31           H        ARG  31   3.169  -1.328   2.214
  245    HA   ARG  31           HA       ARG  31   2.813  -0.505  -0.648
  246   1HB   ARG  31          1HB       ARG  31   3.976  -3.019   0.603
  247   2HB   ARG  31          2HB       ARG  31   4.000  -2.619  -1.113
  248   1HG   ARG  31          1HG       ARG  31   5.921  -1.493  -0.804
  249   2HG   ARG  31          2HG       ARG  31   5.074  -0.371   0.257
  250   1HD   ARG  31          1HD       ARG  31   6.930  -1.313   1.514
  251   2HD   ARG  31          2HD       ARG  31   5.444  -2.048   2.143
  252    HE   ARG  31           HE       ARG  31   5.941  -3.958   0.492
  253   1HH1  ARG  31          1HH1      ARG  31   8.422  -2.551  -0.590
  254   2HH1  ARG  31          2HH1      ARG  31   9.677  -3.390   0.259
  255   1HH2  ARG  31          1HH2      ARG  31   7.534  -4.763   2.611
  256   2HH2  ARG  31          2HH2      ARG  31   9.175  -4.642   2.070
  257    H    ILE  32           H        ILE  32   1.014  -1.266  -1.793
  258    HA   ILE  32           HA       ILE  32  -0.763  -3.209  -0.362
  259    HB   ILE  32           HB       ILE  32  -1.573  -1.563  -2.767
  260   1HG1  ILE  32          1HG1      ILE  32  -1.687  -0.565   0.108
  261   2HG1  ILE  32          2HG1      ILE  32  -0.540   0.027  -1.092
  262   1HG2  ILE  32          2HG2      ILE  32  -2.880  -3.448  -1.359
  263   2HG2  ILE  32          1HG2      ILE  32  -3.317  -2.028  -0.410
  264   3HG2  ILE  32          3HG2      ILE  32  -3.701  -2.090  -2.129
  265   1HD1  ILE  32          1HD1      ILE  32  -3.348   0.035  -1.998
  266   2HD1  ILE  32          3HD1      ILE  32  -3.013   1.124  -0.651
  267   3HD1  ILE  32          2HD1      ILE  32  -2.108   1.280  -2.157
  268    H    GLY  33           H        GLY  33  -0.376  -5.305  -1.139
  269   1HA   GLY  33          2HA       GLY  33   0.665  -6.818  -2.713
  270   2HA   GLY  33          1HA       GLY  33   0.519  -5.580  -3.955
  271    H    LYS  34           H        LYS  34  -0.750  -6.565  -5.519
  272    HA   LYS  34           HA       LYS  34  -3.439  -7.556  -4.631
  273   1HB   LYS  34          1HB       LYS  34  -3.492  -5.570  -6.024
  274   2HB   LYS  34          2HB       LYS  34  -2.424  -6.313  -7.209
  275   1HG   LYS  34          1HG       LYS  34  -4.164  -8.054  -7.619
  276   2HG   LYS  34          2HG       LYS  34  -5.238  -7.207  -6.508
  277   1HD   LYS  34          1HD       LYS  34  -5.929  -6.243  -8.489
  278   2HD   LYS  34          2HD       LYS  34  -4.617  -5.137  -8.081
  279   1HE   LYS  34          1HE       LYS  34  -3.667  -7.507  -9.536
  280   2HE   LYS  34          2HE       LYS  34  -4.824  -6.535 -10.468
  281   1HZ   LYS  34          1HZ       LYS  34  -2.580  -5.339  -8.943
  282   2HZ   LYS  34          3HZ       LYS  34  -2.444  -5.769 -10.577
  283   3HZ   LYS  34          2HZ       LYS  34  -3.568  -4.589 -10.103
  284    H    VAL  35           H        VAL  35  -3.676  -9.812  -4.866
  285    HA   VAL  35           HA       VAL  35  -1.772 -11.194  -6.731
  286    HB   VAL  35           HB       VAL  35  -3.384 -12.223  -4.365
  287   1HG1  VAL  35          2HG1      VAL  35  -2.854 -13.951  -6.059
  288   2HG1  VAL  35          1HG1      VAL  35  -1.149 -13.508  -5.966
  289   3HG1  VAL  35          3HG1      VAL  35  -1.955 -14.215  -4.565
  290   1HG2  VAL  35          1HG2      VAL  35  -0.691 -10.992  -4.644
  291   2HG2  VAL  35          3HG2      VAL  35  -1.783 -11.003  -3.261
  292   3HG2  VAL  35          2HG2      VAL  35  -0.791 -12.419  -3.611
  293    H    VAL  36           H        VAL  36  -2.838 -11.510  -8.718
  294    HA   VAL  36           HA       VAL  36  -5.632 -12.601  -8.581
  295    HB   VAL  36           HB       VAL  36  -6.017 -11.398 -10.713
  296   1HG1  VAL  36          3HG1      VAL  36  -5.987 -10.333  -8.215
  297   2HG1  VAL  36          2HG1      VAL  36  -4.869  -9.244  -9.035
  298   3HG1  VAL  36          1HG1      VAL  36  -6.510  -9.446  -9.645
  299   1HG2  VAL  36          3HG2      VAL  36  -3.531 -11.486 -11.357
  300   2HG2  VAL  36          2HG2      VAL  36  -4.374  -9.975 -11.699
  301   3HG2  VAL  36          1HG2      VAL  36  -3.317 -10.096 -10.292
  302    HA   PRO  37           HA       PRO  37  -3.887 -15.998 -10.817
  303   1HB   PRO  37          1HB       PRO  37  -6.158 -17.082 -11.886
  304   2HB   PRO  37          2HB       PRO  37  -5.735 -17.235 -10.169
  305   1HG   PRO  37          1HG       PRO  37  -7.688 -15.425 -11.483
  306   2HG   PRO  37          2HG       PRO  37  -7.778 -16.238  -9.914
  307   1HD   PRO  37          1HD       PRO  37  -7.142 -13.588 -10.252
  308   2HD   PRO  37          2HD       PRO  37  -6.668 -14.562  -8.844
  309    H    ASN  38           H        ASN  38  -3.205 -16.441 -12.997
  310    HA   ASN  38           HA       ASN  38  -4.092 -14.409 -15.008
  311   1HB   ASN  38          1HB       ASN  38  -1.629 -15.000 -14.189
  312   2HB   ASN  38          2HB       ASN  38  -1.778 -16.269 -15.405
  313   1HD2  ASN  38          2HD2      ASN  38  -2.311 -15.516 -17.697
  314   2HD2  ASN  38          1HD2      ASN  38  -1.838 -13.954 -18.162
  315    HA   PRO  39           HA       PRO  39  -6.206 -17.977 -16.811
  316   1HB   PRO  39          1HB       PRO  39  -7.583 -16.602 -18.732
  317   2HB   PRO  39          2HB       PRO  39  -8.101 -16.666 -17.036
  318   1HG   PRO  39          1HG       PRO  39  -6.705 -14.500 -18.509
  319   2HG   PRO  39          2HG       PRO  39  -7.935 -14.395 -17.241
  320   1HD   PRO  39          1HD       PRO  39  -5.248 -14.001 -16.831
  321   2HD   PRO  39          2HD       PRO  39  -6.396 -14.495 -15.568
  322    H    PHE  40           H        PHE  40  -6.602 -18.381 -19.479
  323    HA   PHE  40           HA       PHE  40  -5.566 -18.875 -21.515
  324   1HB   PHE  40          1HB       PHE  40  -5.448 -16.391 -21.582
  325   2HB   PHE  40          2HB       PHE  40  -3.864 -16.457 -20.820
  326    HD1  PHE  40           HD1      PHE  40  -1.943 -16.649 -22.143
  327    HD2  PHE  40           HD2      PHE  40  -5.748 -17.822 -23.753
  328    HE1  PHE  40           HE1      PHE  40  -0.891 -17.025 -24.356
  329    HE2  PHE  40           HE2      PHE  40  -4.696 -18.199 -25.967
  330    HZ   PHE  40           HZ       PHE  40  -2.267 -17.800 -26.269
  331    H    SER  41           H        SER  41  -2.717 -17.726 -19.572
  332    HA   SER  41           HA       SER  41  -1.141 -20.023 -20.489
  333   1HB   SER  41          1HB       SER  41  -0.415 -17.596 -19.779
  334   2HB   SER  41          2HB       SER  41  -0.416 -18.263 -18.150
  335    HG   SER  41           HG       SER  41   1.168 -19.647 -18.706
  336    H    GLU  42           H        GLU  42  -0.367 -21.793 -19.130
  337    HA   GLU  42           HA       GLU  42  -2.231 -22.409 -16.869
  338   1HB   GLU  42          1HB       GLU  42  -1.500 -23.856 -19.049
  339   2HB   GLU  42          2HB       GLU  42  -0.291 -24.416 -17.893
  340   1HG   GLU  42          1HG       GLU  42  -3.091 -24.250 -16.904
  341   2HG   GLU  42          2HG       GLU  42  -2.744 -25.524 -18.074
  342    H    SER  43           H        SER  43   1.296 -22.512 -17.657
  343    HA   SER  43           HA       SER  43   2.233 -23.277 -15.071
  344   1HB   SER  43          1HB       SER  43   3.433 -22.848 -17.401
  345   2HB   SER  43          2HB       SER  43   3.729 -21.252 -16.717
  346    HG   SER  43           HG       SER  43   4.569 -23.788 -15.806
  347    H    GLY  44           H        GLY  44   1.442 -20.000 -16.331
  348   1HA   GLY  44          2HA       GLY  44   1.286 -17.948 -15.201
  349   2HA   GLY  44          1HA       GLY  44   2.351 -18.616 -13.963
  350    H    GLY  45           H        GLY  45   1.375 -18.776 -11.960
  351   1HA   GLY  45          2HA       GLY  45  -0.341 -19.619 -10.489
  352   2HA   GLY  45          1HA       GLY  45  -1.470 -19.619 -11.844
  353    H    ASP  46           H        ASP  46   0.179 -17.526  -9.467
  354    HA   ASP  46           HA       ASP  46  -1.768 -15.346 -10.155
  355   1HB   ASP  46          1HB       ASP  46  -2.014 -15.019  -7.702
  356   2HB   ASP  46          2HB       ASP  46  -2.501 -16.640  -8.189
  357    H    MET  47           H        MET  47  -0.904 -13.201  -9.979
  358    HA   MET  47           HA       MET  47   2.034 -13.066  -9.372
  359   1HB   MET  47          1HB       MET  47   0.844 -12.671 -11.743
  360   2HB   MET  47          2HB       MET  47   0.639 -11.052 -11.075
  361   1HG   MET  47          1HG       MET  47   2.731 -10.807 -12.028
  362   2HG   MET  47          2HG       MET  47   3.201 -11.380 -10.428
  363   1HE   MET  47          3HE       MET  47   5.254 -12.469 -10.613
  364   2HE   MET  47          2HE       MET  47   4.195 -13.672  -9.881
  365   3HE   MET  47          1HE       MET  47   5.367 -14.166 -11.100
  366    H    LYS  48           H        LYS  48   2.763 -11.299  -8.067
  367    HA   LYS  48           HA       LYS  48   0.638  -9.483  -6.973
  368   1HB   LYS  48          1HB       LYS  48   1.724  -9.806  -4.756
  369   2HB   LYS  48          2HB       LYS  48   1.120 -11.327  -5.409
  370   1HG   LYS  48          1HG       LYS  48   3.316 -12.017  -6.081
  371   2HG   LYS  48          2HG       LYS  48   3.982 -10.413  -5.774
  372   1HD   LYS  48          1HD       LYS  48   4.622 -11.617  -3.860
  373   2HD   LYS  48          2HD       LYS  48   3.158 -10.787  -3.332
  374   1HE   LYS  48          1HE       LYS  48   1.833 -12.761  -3.553
  375   2HE   LYS  48          2HE       LYS  48   3.093 -13.589  -4.489
  376   1HZ   LYS  48          3HZ       LYS  48   3.421 -12.626  -1.696
  377   2HZ   LYS  48          2HZ       LYS  48   3.097 -14.239  -2.124
  378   3HZ   LYS  48          1HZ       LYS  48   4.556 -13.507  -2.599
  379    H    GLU  49           H        GLU  49   1.382  -7.306  -6.613
  380    HA   GLU  49           HA       GLU  49   4.270  -6.774  -7.225
  381   1HB   GLU  49          1HB       GLU  49   1.762  -5.875  -8.559
  382   2HB   GLU  49          2HB       GLU  49   3.042  -4.673  -8.388
  383   1HG   GLU  49          1HG       GLU  49   3.508  -5.711 -10.462
  384   2HG   GLU  49          2HG       GLU  49   4.615  -6.493  -9.332
  385    H    TRP  50           H        TRP  50   5.160  -4.984  -6.031
  386    HA   TRP  50           HA       TRP  50   3.431  -4.001  -3.796
  387   1HB   TRP  50          1HB       TRP  50   6.410  -3.691  -4.301
  388   2HB   TRP  50          2HB       TRP  50   5.567  -3.315  -2.802
  389    HD1  TRP  50           HD1      TRP  50   7.724  -5.806  -4.030
  390    HE1  TRP  50           HE1      TRP  50   7.338  -8.103  -2.937
  391    HE3  TRP  50           HE3      TRP  50   3.091  -5.046  -1.985
  392    HZ2  TRP  50           HZ2      TRP  50   5.328  -9.449  -1.397
  393    HZ3  TRP  50           HZ3      TRP  50   1.976  -6.847  -0.705
  394    HH2  TRP  50           HH2      TRP  50   3.086  -9.047  -0.411
  395    H    TYR  51           H        TYR  51   2.389  -2.023  -4.201
  396    HA   TYR  51           HA       TYR  51   4.029   0.041  -5.616
  397   1HB   TYR  51          1HB       TYR  51   1.566   0.896  -6.244
  398   2HB   TYR  51          2HB       TYR  51   2.450  -0.211  -7.261
  399    HD1  TYR  51           HD1      TYR  51   1.800  -2.543  -7.463
  400    HD2  TYR  51           HD2      TYR  51  -0.288   0.144  -4.847
  401    HE1  TYR  51           HE1      TYR  51  -0.076  -4.158  -7.310
  402    HE2  TYR  51           HE2      TYR  51  -2.167  -1.471  -4.692
  403    HH   TYR  51           HH       TYR  51  -2.795  -3.709  -6.738
  404    H    HIS  52           H        HIS  52   3.078   2.331  -5.145
  405    HA   HIS  52           HA       HIS  52   2.802   2.552  -2.196
  406   1HB   HIS  52          1HB       HIS  52   3.076   4.538  -4.470
  407   2HB   HIS  52          2HB       HIS  52   2.986   5.008  -2.776
  408    HD2  HIS  52           HD2      HIS  52   5.223   4.021  -1.176
  409    HE1  HIS  52           HE1      HIS  52   7.749   3.503  -4.522
  410    HE2  HIS  52           HE2      HIS  52   7.635   3.621  -2.021
  411    H    ILE  53           H        ILE  53   1.064   4.015  -1.283
  412    HA   ILE  53           HA       ILE  53  -1.562   3.342  -2.345
  413    HB   ILE  53           HB       ILE  53  -0.623   5.389  -0.291
  414   1HG1  ILE  53          1HG1      ILE  53  -1.771   2.584  -0.083
  415   2HG1  ILE  53          2HG1      ILE  53  -0.135   3.083   0.337
  416   1HG2  ILE  53          3HG2      ILE  53  -2.888   5.878  -1.341
  417   2HG2  ILE  53          2HG2      ILE  53  -3.438   4.338  -0.688
  418   3HG2  ILE  53          1HG2      ILE  53  -2.917   5.621   0.402
  419   1HD1  ILE  53          1HD1      ILE  53  -1.355   4.749   1.962
  420   2HD1  ILE  53          3HD1      ILE  53  -2.714   3.636   1.776
  421   3HD1  ILE  53          2HD1      ILE  53  -1.177   3.056   2.430
  422    H    LYS  54           H        LYS  54   0.385   6.382  -2.303
  423    HA   LYS  54           HA       LYS  54  -1.463   7.946  -3.859
  424   1HB   LYS  54          1HB       LYS  54   0.765   8.548  -2.545
  425   2HB   LYS  54          2HB       LYS  54   1.513   8.288  -4.121
  426   1HG   LYS  54          1HG       LYS  54  -0.292   9.866  -5.052
  427   2HG   LYS  54          2HG       LYS  54  -0.604  10.307  -3.374
  428   1HD   LYS  54          1HD       LYS  54   2.239  10.318  -4.253
  429   2HD   LYS  54          2HD       LYS  54   1.207  11.602  -4.884
  430   1HE   LYS  54          1HE       LYS  54   0.762  12.473  -2.745
  431   2HE   LYS  54          2HE       LYS  54   1.197  10.955  -1.935
  432   1HZ   LYS  54          3HZ       LYS  54   3.477  11.251  -2.782
  433   2HZ   LYS  54          2HZ       LYS  54   3.038  12.771  -3.401
  434   3HZ   LYS  54          1HZ       LYS  54   3.016  12.494  -1.725
  435    H    CYS  55           H        CYS  55   1.231   5.796  -4.845
  436    HA   CYS  55           HA       CYS  55   1.052   6.346  -7.675
  437   1HB   CYS  55          1HB       CYS  55   2.011   3.990  -6.033
  438   2HB   CYS  55          2HB       CYS  55   2.058   3.946  -7.787
  439    H    MET  56           H        MET  56  -0.483   3.838  -5.624
  440    HA   MET  56           HA       MET  56  -1.964   2.638  -7.832
  441   1HB   MET  56          1HB       MET  56  -1.317   1.679  -5.495
  442   2HB   MET  56          2HB       MET  56  -2.770   2.500  -4.929
  443   1HG   MET  56          1HG       MET  56  -3.770   1.266  -7.124
  444   2HG   MET  56          2HG       MET  56  -2.503   0.120  -6.689
  445   1HE   MET  56          1HE       MET  56  -5.148   2.346  -5.662
  446   2HE   MET  56          3HE       MET  56  -6.357   1.055  -5.636
  447   3HE   MET  56          2HE       MET  56  -5.815   1.790  -4.128
  448    H    PHE  57           H        PHE  57  -2.828   4.986  -5.260
  449    HA   PHE  57           HA       PHE  57  -5.580   5.244  -6.195
  450   1HB   PHE  57          1HB       PHE  57  -3.784   6.657  -4.253
  451   2HB   PHE  57          2HB       PHE  57  -5.268   7.467  -4.756
  452    HD1  PHE  57           HD1      PHE  57  -3.842   4.820  -2.729
  453    HD2  PHE  57           HD2      PHE  57  -7.494   6.273  -4.450
  454    HE1  PHE  57           HE1      PHE  57  -5.129   3.419  -1.145
  455    HE2  PHE  57           HE2      PHE  57  -8.790   4.866  -2.874
  456    HZ   PHE  57           HZ       PHE  57  -7.612   3.439  -1.223
  457    H    GLU  58           H        GLU  58  -2.506   6.863  -7.033
  458    HA   GLU  58           HA       GLU  58  -3.867   8.996  -8.539
  459   1HB   GLU  58          1HB       GLU  58  -1.604   9.259  -7.507
  460   2HB   GLU  58          2HB       GLU  58  -0.983   8.035  -8.613
  461   1HG   GLU  58          1HG       GLU  58  -0.463   9.949  -9.808
  462   2HG   GLU  58          2HG       GLU  58  -2.078   9.625 -10.441
  463    H    LYS  59           H        LYS  59  -2.284   5.874  -9.307
  464    HA   LYS  59           HA       LYS  59  -2.675   6.166 -12.194
  465   1HB   LYS  59          1HB       LYS  59  -0.985   4.675 -10.949
  466   2HB   LYS  59          2HB       LYS  59  -2.337   3.584 -10.641
  467   1HG   LYS  59          1HG       LYS  59  -2.561   3.006 -12.875
  468   2HG   LYS  59          2HG       LYS  59  -1.877   4.529 -13.446
  469   1HD   LYS  59          1HD       LYS  59  -0.227   2.478 -11.960
  470   2HD   LYS  59          2HD       LYS  59  -0.394   2.460 -13.715
  471   1HE   LYS  59          1HE       LYS  59   0.326   5.080 -12.486
  472   2HE   LYS  59          2HE       LYS  59   1.583   3.827 -12.501
  473   1HZ   LYS  59          3HZ       LYS  59  -0.055   4.618 -14.851
  474   2HZ   LYS  59          2HZ       LYS  59   1.544   5.121 -14.576
  475   3HZ   LYS  59          1HZ       LYS  59   1.201   3.479 -14.842
  476    H    LEU  60           H        LEU  60  -4.532   4.687  -9.519
  477    HA   LEU  60           HA       LEU  60  -6.528   3.471 -11.276
  478   1HB   LEU  60          1HB       LEU  60  -6.067   2.679  -8.969
  479   2HB   LEU  60          2HB       LEU  60  -6.606   4.230  -8.328
  480    HG   LEU  60           HG       LEU  60  -8.745   3.493  -9.905
  481   1HD1  LEU  60          1HD1      LEU  60  -7.347   1.204  -9.921
  482   2HD1  LEU  60          3HD1      LEU  60  -8.193   0.985  -8.389
  483   3HD1  LEU  60          2HD1      LEU  60  -9.110   1.221  -9.877
  484   1HD2  LEU  60          3HD2      LEU  60  -8.070   3.416  -7.008
  485   2HD2  LEU  60          2HD2      LEU  60  -9.381   4.257  -7.835
  486   3HD2  LEU  60          1HD2      LEU  60  -9.519   2.533  -7.492
  487    H    GLU  61           H        GLU  61  -6.310   6.562  -9.444
  488    HA   GLU  61           HA       GLU  61  -8.994   7.441 -10.159
  489   1HB   GLU  61          1HB       GLU  61  -6.492   8.753  -9.105
  490   2HB   GLU  61          2HB       GLU  61  -7.882   9.738  -9.559
  491   1HG   GLU  61          1HG       GLU  61  -9.252   8.092  -8.085
  492   2HG   GLU  61          2HG       GLU  61  -7.689   7.641  -7.404
  493    H    ARG  62           H        ARG  62  -5.853   7.604 -11.821
  494    HA   ARG  62           HA       ARG  62  -6.991   9.461 -13.856
  495   1HB   ARG  62          1HB       ARG  62  -4.704   9.753 -12.799
  496   2HB   ARG  62          2HB       ARG  62  -4.203   8.285 -13.639
  497   1HG   ARG  62          1HG       ARG  62  -5.501  10.507 -15.191
  498   2HG   ARG  62          2HG       ARG  62  -3.794  10.626 -14.766
  499   1HD   ARG  62          1HD       ARG  62  -3.271   9.242 -16.480
  500   2HD   ARG  62          2HD       ARG  62  -4.288   7.972 -15.772
  501    HE   ARG  62           HE       ARG  62  -6.215   8.952 -16.982
  502   1HH1  ARG  62          1HH1      ARG  62  -3.842  11.236 -17.350
  503   2HH1  ARG  62          2HH1      ARG  62  -3.954  11.359 -19.074
  504   1HH2  ARG  62          1HH2      ARG  62  -6.036   8.605 -19.402
  505   2HH2  ARG  62          2HH2      ARG  62  -5.196   9.870 -20.236
  506    H    ALA  63           H        ALA  63  -5.749   6.085 -13.579
  507    HA   ALA  63           HA       ALA  63  -6.940   5.580 -16.285
  508   1HB   ALA  63          3HB       ALA  63  -4.494   5.874 -16.423
  509   2HB   ALA  63          1HB       ALA  63  -4.938   4.201 -16.766
  510   3HB   ALA  63          2HB       ALA  63  -4.272   4.632 -15.190
  511    H    ARG  64           H        ARG  64  -7.773   3.403 -16.573
  512    HA   ARG  64           HA       ARG  64  -7.981   1.808 -14.035
  513   1HB   ARG  64          1HB       ARG  64  -9.960   3.111 -15.435
  514   2HB   ARG  64          2HB       ARG  64 -10.039   1.495 -16.137
  515   1HG   ARG  64          1HG       ARG  64  -9.791   1.584 -13.184
  516   2HG   ARG  64          2HG       ARG  64 -11.311   2.197 -13.835
  517   1HD   ARG  64          1HD       ARG  64 -11.692   0.108 -15.043
  518   2HD   ARG  64          2HD       ARG  64 -10.111  -0.509 -14.524
  519    HE   ARG  64           HE       ARG  64 -10.939  -0.576 -12.230
  520   1HH1  ARG  64          1HH1      ARG  64 -12.866   1.510 -11.942
  521   2HH1  ARG  64          2HH1      ARG  64 -14.400   0.725 -12.117
  522   1HH2  ARG  64          1HH2      ARG  64 -13.077  -2.106 -13.619
  523   2HH2  ARG  64          2HH2      ARG  64 -14.519  -1.323 -13.066
  524    H    ALA  65           H        ALA  65  -6.430   0.156 -14.414
  525    HA   ALA  65           HA       ALA  65  -6.186  -1.025 -17.126
  526   1HB   ALA  65          2HB       ALA  65  -4.794  -1.393 -14.467
  527   2HB   ALA  65          1HB       ALA  65  -4.463  -2.459 -15.831
  528   3HB   ALA  65          3HB       ALA  65  -4.134  -0.732 -15.963
  529    H    THR  66           H        THR  66  -7.460  -1.998 -13.911
  530    HA   THR  66           HA       THR  66  -8.864  -4.254 -15.265
  531    HB   THR  66           HB       THR  66  -6.727  -5.109 -14.384
  532    HG1  THR  66           HG1      THR  66  -7.621  -6.777 -13.322
  533   1HG2  THR  66          1HG2      THR  66  -7.705  -3.844 -11.817
  534   2HG2  THR  66          3HG2      THR  66  -6.441  -5.074 -11.852
  535   3HG2  THR  66          2HG2      THR  66  -6.193  -3.531 -12.670
  536    H    THR  67           H        THR  67 -10.013  -5.391 -12.929
  537    HA   THR  67           HA       THR  67 -11.753  -3.125 -12.028
  538    HB   THR  67           HB       THR  67 -12.193  -6.116 -11.768
  539    HG1  THR  67           HG1      THR  67 -13.105  -6.064 -13.736
  540   1HG2  THR  67          2HG2      THR  67 -13.556  -4.359 -10.443
  541   2HG2  THR  67          1HG2      THR  67 -14.260  -3.934 -12.003
  542   3HG2  THR  67          3HG2      THR  67 -14.451  -5.567 -11.365
  543    H    LYS  68           H        LYS  68 -10.829  -2.260 -10.130
  544    HA   LYS  68           HA       LYS  68 -10.062  -4.227  -7.992
  545   1HB   LYS  68          1HB       LYS  68  -9.089  -1.413  -8.596
  546   2HB   LYS  68          2HB       LYS  68  -8.528  -2.408  -7.251
  547   1HG   LYS  68          1HG       LYS  68  -7.278  -3.772  -8.602
  548   2HG   LYS  68          2HG       LYS  68  -8.417  -3.661  -9.945
  549   1HD   LYS  68          1HD       LYS  68  -6.755  -2.356 -10.839
  550   2HD   LYS  68          2HD       LYS  68  -7.560  -1.104  -9.893
  551   1HE   LYS  68          1HE       LYS  68  -5.971  -1.308  -8.102
  552   2HE   LYS  68          2HE       LYS  68  -5.289  -2.793  -8.795
  553   1HZ   LYS  68          2HZ       LYS  68  -4.765  -1.486 -10.817
  554   2HZ   LYS  68          1HZ       LYS  68  -5.238  -0.076  -9.996
  555   3HZ   LYS  68          3HZ       LYS  68  -3.905  -0.969  -9.446
  556    H    LYS  69           H        LYS  69 -10.973  -3.870  -5.894
  557    HA   LYS  69           HA       LYS  69 -12.822  -1.520  -5.641
  558   1HB   LYS  69          1HB       LYS  69 -13.904  -3.752  -6.186
  559   2HB   LYS  69          2HB       LYS  69 -13.304  -4.339  -4.634
  560   1HG   LYS  69          1HG       LYS  69 -14.634  -2.804  -3.411
  561   2HG   LYS  69          2HG       LYS  69 -14.950  -1.816  -4.838
  562   1HD   LYS  69          1HD       LYS  69 -16.585  -3.226  -5.621
  563   2HD   LYS  69          2HD       LYS  69 -15.806  -4.665  -4.966
  564   1HE   LYS  69          1HE       LYS  69 -17.853  -4.246  -3.696
  565   2HE   LYS  69          2HE       LYS  69 -16.468  -3.867  -2.653
  566   1HZ   LYS  69          3HZ       LYS  69 -17.890  -1.892  -4.358
  567   2HZ   LYS  69          2HZ       LYS  69 -18.142  -2.074  -2.688
  568   3HZ   LYS  69          1HZ       LYS  69 -16.630  -1.563  -3.272
  569    H    ILE  70           H        ILE  70 -11.478  -0.317  -4.181
  570    HA   ILE  70           HA       ILE  70 -10.689  -1.745  -1.660
  571    HB   ILE  70           HB       ILE  70  -9.557   0.723  -3.030
  572   1HG1  ILE  70          1HG1      ILE  70  -8.414  -2.072  -2.709
  573   2HG1  ILE  70          2HG1      ILE  70  -9.109  -1.435  -4.199
  574   1HG2  ILE  70          2HG2      ILE  70  -9.411   0.589  -0.470
  575   2HG2  ILE  70          1HG2      ILE  70  -8.368  -0.813  -0.710
  576   3HG2  ILE  70          3HG2      ILE  70  -7.882   0.764  -1.331
  577   1HD1  ILE  70          1HD1      ILE  70  -7.320   0.539  -3.570
  578   2HD1  ILE  70          3HD1      ILE  70  -6.481  -0.889  -2.964
  579   3HD1  ILE  70          2HD1      ILE  70  -6.968  -0.805  -4.657
  580    H    GLU  71           H        GLU  71 -12.564  -1.322  -0.360
  581    HA   GLU  71           HA       GLU  71 -13.388   1.554  -0.115
  582   1HB   GLU  71          1HB       GLU  71 -14.742  -1.109   0.363
  583   2HB   GLU  71          2HB       GLU  71 -15.421   0.394   0.987
  584   1HG   GLU  71          1HG       GLU  71 -15.050   1.221  -1.499
  585   2HG   GLU  71          2HG       GLU  71 -15.099  -0.506  -1.854
  586    H    ASP  72           H        ASP  72 -12.988   2.591   1.862
  587    HA   ASP  72           HA       ASP  72 -12.140   2.887   4.046
  588   1HB   ASP  72          1HB       ASP  72 -14.342   1.267   4.051
  589   2HB   ASP  72          2HB       ASP  72 -13.172   0.234   4.873
  590    H    LEU  73           H        LEU  73 -11.114   1.082   5.951
  591    HA   LEU  73           HA       LEU  73  -8.886  -0.255   4.447
  592   1HB   LEU  73          1HB       LEU  73  -8.264   1.846   5.609
  593   2HB   LEU  73          2HB       LEU  73  -8.867   1.176   7.126
  594    HG   LEU  73           HG       LEU  73  -7.229  -0.701   6.897
  595   1HD1  LEU  73          3HD1      LEU  73  -6.696   0.767   4.361
  596   2HD1  LEU  73          2HD1      LEU  73  -5.294   0.115   5.208
  597   3HD1  LEU  73          1HD1      LEU  73  -6.598  -0.960   4.703
  598   1HD2  LEU  73          2HD2      LEU  73  -6.184   2.144   6.907
  599   2HD2  LEU  73          1HD2      LEU  73  -6.601   1.150   8.304
  600   3HD2  LEU  73          3HD2      LEU  73  -5.190   0.747   7.326
  601    H    THR  74           H        THR  74 -10.184  -2.302   4.577
  602    HA   THR  74           HA       THR  74  -9.711  -3.703   7.141
  603    HB   THR  74           HB       THR  74 -12.321  -4.380   6.774
  604    HG1  THR  74           HG1      THR  74 -13.450  -2.628   6.097
  605   1HG2  THR  74          1HG2      THR  74 -11.114  -3.480   8.823
  606   2HG2  THR  74          3HG2      THR  74 -11.499  -1.863   8.232
  607   3HG2  THR  74          2HG2      THR  74 -12.797  -2.979   8.654
  608    H    GLU  75           H        GLU  75 -11.558  -4.077   4.036
  609    HA   GLU  75           HA       GLU  75 -11.435  -6.865   3.741
  610   1HB   GLU  75          1HB       GLU  75 -12.406  -4.975   2.217
  611   2HB   GLU  75          2HB       GLU  75 -10.837  -5.038   1.415
  612   1HG   GLU  75          1HG       GLU  75 -12.475  -7.530   1.893
  613   2HG   GLU  75          2HG       GLU  75 -12.689  -6.540   0.449
  614    H    LEU  76           H        LEU  76  -8.758  -4.555   3.201
  615    HA   LEU  76           HA       LEU  76  -6.989  -6.516   1.952
  616   1HB   LEU  76          1HB       LEU  76  -6.819  -3.721   2.974
  617   2HB   LEU  76          2HB       LEU  76  -5.303  -4.621   2.931
  618    HG   LEU  76           HG       LEU  76  -5.782  -5.226   0.559
  619   1HD1  LEU  76          1HD1      LEU  76  -8.104  -3.328   0.989
  620   2HD1  LEU  76          3HD1      LEU  76  -7.537  -3.836  -0.603
  621   3HD1  LEU  76          2HD1      LEU  76  -8.192  -5.026   0.523
  622   1HD2  LEU  76          1HD2      LEU  76  -5.319  -2.472   1.561
  623   2HD2  LEU  76          3HD2      LEU  76  -4.331  -3.463   0.488
  624   3HD2  LEU  76          2HD2      LEU  76  -5.732  -2.602  -0.149
  625    H    GLU  77           H        GLU  77  -5.124  -7.568   2.958
  626    HA   GLU  77           HA       GLU  77  -5.588  -8.165   5.852
  627   1HB   GLU  77          1HB       GLU  77  -5.497  -9.998   4.177
  628   2HB   GLU  77          2HB       GLU  77  -3.860  -9.503   3.740
  629   1HG   GLU  77          1HG       GLU  77  -3.117  -9.936   6.060
  630   2HG   GLU  77          2HG       GLU  77  -4.751 -10.449   6.484
  631    H    GLY  78           H        GLY  78  -4.066  -7.583   7.440
  632   1HA   GLY  78          2HA       GLY  78  -1.598  -6.206   6.460
  633   2HA   GLY  78          1HA       GLY  78  -1.531  -7.354   7.794
  634    H    TRP  79           H        TRP  79  -4.157  -4.972   7.287
  635    HA   TRP  79           HA       TRP  79  -3.114  -2.975   9.104
  636   1HB   TRP  79          1HB       TRP  79  -5.368  -2.029   8.957
  637   2HB   TRP  79          2HB       TRP  79  -4.888  -2.621   7.369
  638    HD1  TRP  79           HD1      TRP  79  -6.341  -4.469   6.284
  639    HE1  TRP  79           HE1      TRP  79  -8.424  -5.791   7.019
  640    HE3  TRP  79           HE3      TRP  79  -6.606  -3.056  11.184
  641    HZ2  TRP  79           HZ2      TRP  79 -10.006  -6.189   9.365
  642    HZ3  TRP  79           HZ3      TRP  79  -8.412  -3.919  12.643
  643    HH2  TRP  79           HH2      TRP  79 -10.112  -5.482  11.740
  644    H    GLU  80           H        GLU  80  -4.578  -6.081   9.812
  645    HA   GLU  80           HA       GLU  80  -6.014  -5.636  12.182
  646   1HB   GLU  80          1HB       GLU  80  -5.540  -7.816  10.914
  647   2HB   GLU  80          2HB       GLU  80  -4.036  -7.903  11.831
  648   1HG   GLU  80          1HG       GLU  80  -5.420  -9.093  13.253
  649   2HG   GLU  80          2HG       GLU  80  -5.680  -7.465  13.882
  650    H    GLU  81           H        GLU  81  -2.430  -5.781  11.837
  651    HA   GLU  81           HA       GLU  81  -2.111  -4.226  14.293
  652   1HB   GLU  81          1HB       GLU  81  -2.664  -6.842  14.706
  653   2HB   GLU  81          2HB       GLU  81  -0.908  -6.929  14.568
  654   1HG   GLU  81          1HG       GLU  81  -0.816  -4.998  16.239
  655   2HG   GLU  81          2HG       GLU  81  -2.533  -5.286  16.518
  656    H    LEU  82           H        LEU  82  -0.987  -3.565  11.842
  657    HA   LEU  82           HA       LEU  82   1.858  -4.484  12.062
  658   1HB   LEU  82          1HB       LEU  82   0.030  -3.679   9.833
  659   2HB   LEU  82          2HB       LEU  82   1.755  -3.368   9.654
  660    HG   LEU  82           HG       LEU  82   0.602  -6.064  10.405
  661   1HD1  LEU  82          2HD1      LEU  82   0.116  -5.062   8.026
  662   2HD1  LEU  82          1HD1      LEU  82   1.820  -5.410   7.735
  663   3HD1  LEU  82          3HD1      LEU  82   0.714  -6.715   8.162
  664   1HD2  LEU  82          3HD2      LEU  82   3.349  -4.979   9.823
  665   2HD2  LEU  82          2HD2      LEU  82   2.829  -6.028  11.143
  666   3HD2  LEU  82          1HD2      LEU  82   2.988  -6.676   9.510
  667    H    GLU  83           H        GLU  83   0.264  -1.513  10.730
  668    HA   GLU  83           HA       GLU  83   2.157   0.096  12.418
  669   1HB   GLU  83          1HB       GLU  83   1.155   0.433   9.576
  670   2HB   GLU  83          2HB       GLU  83   2.020   1.700  10.446
  671   1HG   GLU  83          1HG       GLU  83   3.095  -1.098  10.007
  672   2HG   GLU  83          2HG       GLU  83   3.516   0.294   9.009
  673    H    ASP  84           H        ASP  84   1.127   1.612  13.755
  674    HA   ASP  84           HA       ASP  84  -1.823   1.865  13.532
  675   1HB   ASP  84          1HB       ASP  84   0.303   2.553  15.535
  676   2HB   ASP  84          2HB       ASP  84  -1.251   3.382  15.638
  677    H    ASN  85           H        ASN  85   0.991   4.108  13.598
  678    HA   ASN  85           HA       ASN  85  -0.580   6.448  12.895
  679   1HB   ASN  85          1HB       ASN  85   1.944   6.053  13.787
  680   2HB   ASN  85          2HB       ASN  85   2.286   6.255  12.069
  681   1HD2  ASN  85          2HD2      ASN  85   0.343   7.884  14.679
  682   2HD2  ASN  85          1HD2      ASN  85   0.645   9.451  14.100
  683    H    GLU  86           H        GLU  86   1.308   4.097  10.955
  684    HA   GLU  86           HA       GLU  86   0.894   5.380   8.405
  685   1HB   GLU  86          1HB       GLU  86   2.352   3.269   9.257
  686   2HB   GLU  86          2HB       GLU  86   0.986   2.401   8.556
  687   1HG   GLU  86          1HG       GLU  86   2.657   2.698   6.826
  688   2HG   GLU  86          2HG       GLU  86   1.293   3.754   6.458
  689    H    LYS  87           H        LYS  87  -1.075   3.018  10.248
  690    HA   LYS  87           HA       LYS  87  -3.020   2.438   8.228
  691   1HB   LYS  87          1HB       LYS  87  -2.795   1.306  10.455
  692   2HB   LYS  87          2HB       LYS  87  -3.459   2.750  11.218
  693   1HG   LYS  87          1HG       LYS  87  -5.442   2.448   9.569
  694   2HG   LYS  87          2HG       LYS  87  -4.827   0.807   9.366
  695   1HD   LYS  87          1HD       LYS  87  -5.234   0.236  11.600
  696   2HD   LYS  87          2HD       LYS  87  -5.253   1.919  12.128
  697   1HE   LYS  87          1HE       LYS  87  -7.351   2.133  10.577
  698   2HE   LYS  87          2HE       LYS  87  -7.414   0.364  10.716
  699   1HZ   LYS  87          2HZ       LYS  87  -7.149   2.204  13.033
  700   2HZ   LYS  87          1HZ       LYS  87  -8.628   1.546  12.516
  701   3HZ   LYS  87          3HZ       LYS  87  -7.400   0.525  13.083
  702    H    GLU  88           H        GLU  88  -2.817   5.173  10.527
  703    HA   GLU  88           HA       GLU  88  -5.372   6.352   9.941
  704   1HB   GLU  88          1HB       GLU  88  -3.366   6.901  11.676
  705   2HB   GLU  88          2HB       GLU  88  -3.026   8.131  10.458
  706   1HG   GLU  88          1HG       GLU  88  -5.812   7.733  11.549
  707   2HG   GLU  88          2HG       GLU  88  -4.644   8.773  12.366
  708    H    GLN  89           H        GLN  89  -2.176   6.756   8.346
  709    HA   GLN  89           HA       GLN  89  -2.994   8.829   6.514
  710   1HB   GLN  89          1HB       GLN  89  -0.642   7.709   7.132
  711   2HB   GLN  89          2HB       GLN  89  -0.996   6.754   5.692
  712   1HG   GLN  89          1HG       GLN  89  -1.554   9.094   4.625
  713   2HG   GLN  89          2HG       GLN  89  -0.547   9.712   5.936
  714   1HE2  GLN  89          1HE2      GLN  89   1.401  10.230   4.776
  715   2HE2  GLN  89          2HE2      GLN  89   2.279   9.077   3.892
  716    H    ILE  90           H        ILE  90  -3.134   5.258   6.276
  717    HA   ILE  90           HA       ILE  90  -3.967   5.127   3.522
  718    HB   ILE  90           HB       ILE  90  -4.571   3.291   5.876
  719   1HG1  ILE  90          1HG1      ILE  90  -2.557   2.625   3.789
  720   2HG1  ILE  90          2HG1      ILE  90  -2.125   3.928   4.897
  721   1HG2  ILE  90          2HG2      ILE  90  -4.901   2.957   2.889
  722   2HG2  ILE  90          1HG2      ILE  90  -4.720   1.569   3.962
  723   3HG2  ILE  90          3HG2      ILE  90  -6.089   2.662   4.158
  724   1HD1  ILE  90          2HD1      ILE  90  -3.319   1.619   6.261
  725   2HD1  ILE  90          1HD1      ILE  90  -1.825   1.224   5.411
  726   3HD1  ILE  90          3HD1      ILE  90  -1.834   2.500   6.628
  727    H    THR  91           H        THR  91  -5.876   5.468   6.557
  728    HA   THR  91           HA       THR  91  -8.474   5.256   5.335
  729    HB   THR  91           HB       THR  91  -9.245   6.445   7.380
  730    HG1  THR  91           HG1      THR  91  -7.791   7.389   8.711
  731   1HG2  THR  91          2HG2      THR  91  -8.333   3.992   7.310
  732   2HG2  THR  91          1HG2      THR  91  -6.993   4.654   8.246
  733   3HG2  THR  91          3HG2      THR  91  -8.639   4.751   8.872
  734    H    GLN  92           H        GLN  92  -6.315   8.077   5.785
  735    HA   GLN  92           HA       GLN  92  -8.126  10.114   4.904
  736   1HB   GLN  92          1HB       GLN  92  -5.772  10.327   5.919
  737   2HB   GLN  92          2HB       GLN  92  -5.158  10.032   4.293
  738   1HG   GLN  92          1HG       GLN  92  -6.126  12.012   3.438
  739   2HG   GLN  92          2HG       GLN  92  -7.212  12.178   4.818
  740   1HE2  GLN  92          1HE2      GLN  92  -4.013  12.974   3.619
  741   2HE2  GLN  92          2HE2      GLN  92  -3.473  13.753   5.028
  742    H    HIS  93           H        HIS  93  -5.976   7.948   3.006
  743    HA   HIS  93           HA       HIS  93  -6.381   9.135   0.431
  744   1HB   HIS  93          1HB       HIS  93  -5.633   6.442   1.493
  745   2HB   HIS  93          2HB       HIS  93  -6.102   6.533  -0.205
  746    HD1  HIS  93           HD1      HIS  93  -4.530   7.754  -1.818
  747    HD2  HIS  93           HD2      HIS  93  -3.255   7.930   2.146
  748    HE1  HIS  93           HE1      HIS  93  -2.156   8.630  -1.867
  749    H    ILE  94           H        ILE  94  -8.275   6.534   2.066
  750    HA   ILE  94           HA       ILE  94 -10.172   6.170  -0.072
  751    HB   ILE  94           HB       ILE  94 -10.203   5.666   2.918
  752   1HG1  ILE  94          1HG1      ILE  94 -10.536   3.270   1.684
  753   2HG1  ILE  94          2HG1      ILE  94  -9.671   4.143   0.421
  754   1HG2  ILE  94          3HG2      ILE  94 -12.555   6.135   2.181
  755   2HG2  ILE  94          2HG2      ILE  94 -12.397   4.855   0.978
  756   3HG2  ILE  94          1HG2      ILE  94 -12.317   4.467   2.697
  757   1HD1  ILE  94          3HD1      ILE  94  -8.481   4.610   3.041
  758   2HD1  ILE  94          2HD1      ILE  94  -8.533   2.891   2.650
  759   3HD1  ILE  94          1HD1      ILE  94  -7.727   4.019   1.557
  760    H    ALA  95           H        ALA  95 -10.183   8.377   2.753
  761    HA   ALA  95           HA       ALA  95 -12.794   9.499   2.309
  762   1HB   ALA  95          2HB       ALA  95 -11.828  11.454   3.611
  763   2HB   ALA  95          1HB       ALA  95 -11.601   9.886   4.387
  764   3HB   ALA  95          3HB       ALA  95 -10.261  10.648   3.529
  765    H    ASP  96           H        ASP  96  -9.604  10.346   0.922
  766    HA   ASP  96           HA       ASP  96 -10.576  12.716  -0.479
  767   1HB   ASP  96          1HB       ASP  96  -8.131  11.800   0.138
  768   2HB   ASP  96          2HB       ASP  96  -8.245  11.127  -1.489
  769    H    LEU  97           H        LEU  97 -10.188   9.261  -1.379
  770    HA   LEU  97           HA       LEU  97 -10.976   9.692  -4.167
  771   1HB   LEU  97          1HB       LEU  97  -9.570   7.790  -3.368
  772   2HB   LEU  97          2HB       LEU  97 -10.959   7.162  -2.481
  773    HG   LEU  97           HG       LEU  97 -12.217   7.099  -4.673
  774   1HD1  LEU  97          2HD1      LEU  97  -9.506   7.991  -5.613
  775   2HD1  LEU  97          1HD1      LEU  97 -10.500   6.980  -6.663
  776   3HD1  LEU  97          3HD1      LEU  97 -11.100   8.549  -6.123
  777   1HD2  LEU  97          3HD2      LEU  97 -11.122   5.095  -3.667
  778   2HD2  LEU  97          2HD2      LEU  97 -11.135   5.036  -5.430
  779   3HD2  LEU  97          1HD2      LEU  97  -9.657   5.471  -4.574
  780    H    SER  98           H        SER  98 -12.735   8.856  -1.156
  781    HA   SER  98           HA       SER  98 -15.246   8.418  -2.695
  782   1HB   SER  98          1HB       SER  98 -14.638   6.960  -0.780
  783   2HB   SER  98          2HB       SER  98 -14.632   8.364   0.283
  784    HG   SER  98           HG       SER  98 -16.625   7.095   0.225
  785    H    SER  99           H        SER  99 -13.882  10.748  -0.316
  786    HA   SER  99           HA       SER  99 -16.180  12.577  -0.949
  787   1HB   SER  99          1HB       SER  99 -15.548  11.485   1.441
  788   2HB   SER  99          2HB       SER  99 -14.517  12.911   1.502
  789    HG   SER  99           HG       SER  99 -17.325  12.751   1.186
  790    H    LYS 100           H        LYS 100 -15.600  14.898  -1.133
  791    HA   LYS 100           HA       LYS 100 -12.671  15.394  -1.554
  792   1HB   LYS 100          1HB       LYS 100 -15.058  15.770  -3.325
  793   2HB   LYS 100          2HB       LYS 100 -13.747  16.947  -3.441
  794   1HG   LYS 100          1HG       LYS 100 -12.153  14.986  -3.682
  795   2HG   LYS 100          2HG       LYS 100 -13.572  13.952  -3.847
  796   1HD   LYS 100          1HD       LYS 100 -14.323  15.260  -5.786
  797   2HD   LYS 100          2HD       LYS 100 -12.935  16.334  -5.613
  798   1HE   LYS 100          1HE       LYS 100 -11.392  14.500  -6.076
  799   2HE   LYS 100          2HE       LYS 100 -12.737  13.343  -6.121
  800   1HZ   LYS 100          1HZ       LYS 100 -13.734  14.620  -7.913
  801   2HZ   LYS 100          3HZ       LYS 100 -12.444  15.721  -7.882
  802   3HZ   LYS 100          2HZ       LYS 100 -12.174  14.111  -8.352
  803    H    ALA 101           H        ALA 101 -14.108  16.074   0.862
  804    HA   ALA 101           HA       ALA 101 -14.567  17.921   2.257
  805   1HB   ALA 101          2HB       ALA 101 -12.880  19.500   2.111
  806   2HB   ALA 101          3HB       ALA 101 -13.034  19.654   0.361
  807   3HB   ALA 101          1HB       ALA 101 -12.199  18.263   1.053
  808    H    ALA 102           H        ALA 102 -16.900  17.797   1.329
  809    HA   ALA 102           HA       ALA 102 -17.506  20.328  -0.169
  810   1HB   ALA 102          3HB       ALA 102 -18.958  17.672  -0.356
  811   2HB   ALA 102          2HB       ALA 102 -19.178  19.081  -1.395
  812   3HB   ALA 102          1HB       ALA 102 -17.677  18.157  -1.468
  813    H    GLY 103           H        GLY 103 -17.835  21.222   2.115
  814   1HA   GLY 103          2HA       GLY 103 -19.175  20.825   4.246
  815   2HA   GLY 103          1HA       GLY 103 -20.506  20.382   3.175
  816    H    THR 104           H        THR 104 -21.437  22.122   1.799
  817    HA   THR 104           HA       THR 104 -20.959  24.840   2.978
  818    HB   THR 104           HB       THR 104 -21.460  25.568   0.534
  819    HG1  THR 104           HG1      THR 104 -22.135  23.684  -0.347
  820   1HG2  THR 104          3HG2      THR 104 -19.201  25.491   1.782
  821   2HG2  THR 104          2HG2      THR 104 -18.901  24.010   0.872
  822   3HG2  THR 104          1HG2      THR 104 -19.154  25.533   0.019
  823    HA   PRO 105           HA       PRO 105 -25.451  23.752   3.132
  824   1HB   PRO 105          1HB       PRO 105 -25.929  24.845   5.595
  825   2HB   PRO 105          2HB       PRO 105 -25.336  23.186   5.374
  826   1HG   PRO 105          1HG       PRO 105 -23.843  25.645   6.125
  827   2HG   PRO 105          2HG       PRO 105 -23.646  23.983   6.700
  828   1HD   PRO 105          1HD       PRO 105 -22.010  25.155   4.852
  829   2HD   PRO 105          2HD       PRO 105 -22.290  23.404   4.955
  830    H    LYS 106           H        LYS 106 -25.262  25.571   1.374
  831    HA   LYS 106           HA       LYS 106 -26.465  28.076   2.485
  832   1HB   LYS 106          1HB       LYS 106 -24.035  27.674   0.753
  833   2HB   LYS 106          2HB       LYS 106 -24.967  29.167   0.623
  834   1HG   LYS 106          1HG       LYS 106 -24.785  29.254   3.211
  835   2HG   LYS 106          2HG       LYS 106 -23.482  28.083   3.010
  836   1HD   LYS 106          1HD       LYS 106 -22.627  29.795   1.195
  837   2HD   LYS 106          2HD       LYS 106 -23.614  30.939   2.105
  838   1HE   LYS 106          1HE       LYS 106 -21.493  29.159   3.358
  839   2HE   LYS 106          2HE       LYS 106 -21.249  30.864   2.932
  840   1HZ   LYS 106          3HZ       LYS 106 -23.289  31.353   4.254
  841   2HZ   LYS 106          2HZ       LYS 106 -23.262  29.748   4.809
  842   3HZ   LYS 106          1HZ       LYS 106 -21.981  30.801   5.182
  843    H    LYS 107           H        LYS 107 -27.974  25.974   1.282
  844    HA   LYS 107           HA       LYS 107 -28.721  27.238  -1.335
  845   1HB   LYS 107          1HB       LYS 107 -28.335  24.341  -0.550
  846   2HB   LYS 107          2HB       LYS 107 -29.259  24.802  -1.979
  847   1HG   LYS 107          1HG       LYS 107 -27.305  26.037  -2.847
  848   2HG   LYS 107          2HG       LYS 107 -26.378  25.569  -1.421
  849   1HD   LYS 107          1HD       LYS 107 -27.020  23.133  -2.096
  850   2HD   LYS 107          2HD       LYS 107 -27.367  23.838  -3.676
  851   1HE   LYS 107          1HE       LYS 107 -25.076  24.736  -3.804
  852   2HE   LYS 107          2HE       LYS 107 -24.717  24.066  -2.200
  853   1HZ   LYS 107          3HZ       LYS 107 -25.293  21.870  -3.021
  854   2HZ   LYS 107          2HZ       LYS 107 -25.628  22.505  -4.561
  855   3HZ   LYS 107          1HZ       LYS 107 -24.041  22.534  -3.955
  856    H    LYS 108           H        LYS 108 -30.684  28.246  -0.716
  857    HA   LYS 108           HA       LYS 108 -32.653  26.545   0.783
  858   1HB   LYS 108          1HB       LYS 108 -31.663  28.692   1.792
  859   2HB   LYS 108          2HB       LYS 108 -32.588  29.564   0.569
  860   1HG   LYS 108          1HG       LYS 108 -34.667  28.729   1.417
  861   2HG   LYS 108          2HG       LYS 108 -33.849  27.563   2.456
  862   1HD   LYS 108          1HD       LYS 108 -33.088  29.228   3.937
  863   2HD   LYS 108          2HD       LYS 108 -33.334  30.516   2.758
  864   1HE   LYS 108          1HE       LYS 108 -35.869  29.752   2.911
  865   2HE   LYS 108          2HE       LYS 108 -35.354  29.132   4.493
  866   1HZ   LYS 108          1HZ       LYS 108 -34.708  31.862   3.526
  867   2HZ   LYS 108          3HZ       LYS 108 -36.066  31.522   4.483
  868   3HZ   LYS 108          2HZ       LYS 108 -34.506  31.244   5.095
  869    H    ALA 109           H        ALA 109 -32.595  29.297  -1.584
  870    HA   ALA 109           HA       ALA 109 -35.004  28.060  -2.881
  871   1HB   ALA 109          1HB       ALA 109 -35.657  30.130  -1.972
  872   2HB   ALA 109          3HB       ALA 109 -34.101  30.880  -2.326
  873   3HB   ALA 109          2HB       ALA 109 -35.242  30.561  -3.632
  874    H    VAL 110           H        VAL 110 -34.831  27.613  -5.112
  875    HA   VAL 110           HA       VAL 110 -32.407  28.674  -6.526
  876    HB   VAL 110           HB       VAL 110 -32.218  26.421  -7.562
  877   1HG1  VAL 110          1HG1      VAL 110 -31.200  27.127  -5.256
  878   2HG1  VAL 110          3HG1      VAL 110 -32.375  25.994  -4.588
  879   3HG1  VAL 110          2HG1      VAL 110 -31.154  25.427  -5.728
  880   1HG2  VAL 110          1HG2      VAL 110 -34.706  25.919  -7.247
  881   2HG2  VAL 110          3HG2      VAL 110 -33.606  24.594  -6.869
  882   3HG2  VAL 110          2HG2      VAL 110 -34.323  25.543  -5.568
  883    H    VAL 111           H        VAL 111 -32.747  29.161  -8.785
  884    HA   VAL 111           HA       VAL 111 -35.518  28.733  -9.832
  885    HB   VAL 111           HB       VAL 111 -33.924  31.321  -9.805
  886   1HG1  VAL 111          2HG1      VAL 111 -36.704  30.701 -10.853
  887   2HG1  VAL 111          1HG1      VAL 111 -35.976  32.305 -10.780
  888   3HG1  VAL 111          3HG1      VAL 111 -35.291  31.073 -11.840
  889   1HG2  VAL 111          2HG2      VAL 111 -36.185  30.232  -8.157
  890   2HG2  VAL 111          1HG2      VAL 111 -34.790  31.183  -7.646
  891   3HG2  VAL 111          3HG2      VAL 111 -36.129  31.964  -8.488
  892    H    GLN 112           H        GLN 112 -35.561  28.358 -12.115
  893    HA   GLN 112           HA       GLN 112 -32.877  28.333 -13.463
  894   1HB   GLN 112          1HB       GLN 112 -34.274  26.185 -12.859
  895   2HB   GLN 112          2HB       GLN 112 -35.235  26.646 -14.264
  896   1HG   GLN 112          1HG       GLN 112 -32.890  26.875 -15.435
  897   2HG   GLN 112          2HG       GLN 112 -32.356  25.806 -14.137
  898   1HE2  GLN 112          1HE2      GLN 112 -34.462  25.992 -17.015
  899   2HE2  GLN 112          2HE2      GLN 112 -34.763  24.324 -17.096
  900    H    ALA 113           H        ALA 113 -33.143  30.505 -14.389
  901    HA   ALA 113           HA       ALA 113 -35.336  30.682 -16.435
  902   1HB   ALA 113          1HB       ALA 113 -35.470  33.025 -15.901
  903   2HB   ALA 113          2HB       ALA 113 -33.984  32.955 -14.954
  904   3HB   ALA 113          3HB       ALA 113 -35.445  32.166 -14.361
  905    H    LYS 114           H        LYS 114 -34.629  31.126 -18.554
  906    HA   LYS 114           HA       LYS 114 -31.738  31.875 -18.886
  907   1HB   LYS 114          1HB       LYS 114 -33.541  29.959 -20.391
  908   2HB   LYS 114          2HB       LYS 114 -31.968  30.471 -21.003
  909   1HG   LYS 114          1HG       LYS 114 -31.194  29.751 -18.551
  910   2HG   LYS 114          2HG       LYS 114 -32.618  28.716 -18.675
  911   1HD   LYS 114          1HD       LYS 114 -30.768  28.794 -21.017
  912   2HD   LYS 114          2HD       LYS 114 -30.227  27.924 -19.580
  913   1HE   LYS 114          1HE       LYS 114 -32.422  26.667 -19.605
  914   2HE   LYS 114          2HE       LYS 114 -32.759  27.418 -21.177
  915   1HZ   LYS 114          2HZ       LYS 114 -30.647  26.576 -21.997
  916   2HZ   LYS 114          1HZ       LYS 114 -30.333  25.840 -20.498
  917   3HZ   LYS 114          3HZ       LYS 114 -31.622  25.294 -21.456
  918    H    LEU 115           H        LEU 115 -31.306  33.480 -20.504
  919    HA   LEU 115           HA       LEU 115 -33.730  34.666 -21.825
  920   1HB   LEU 115          1HB       LEU 115 -32.627  35.893 -19.862
  921   2HB   LEU 115          2HB       LEU 115 -31.235  36.124 -20.921
  922    HG   LEU 115           HG       LEU 115 -33.069  37.008 -22.611
  923   1HD1  LEU 115          1HD1      LEU 115 -34.388  37.062 -19.914
  924   2HD1  LEU 115          3HD1      LEU 115 -34.720  38.360 -21.061
  925   3HD1  LEU 115          2HD1      LEU 115 -35.088  36.690 -21.489
  926   1HD2  LEU 115          1HD2      LEU 115 -31.709  38.366 -20.311
  927   2HD2  LEU 115          3HD2      LEU 115 -31.435  38.558 -22.042
  928   3HD2  LEU 115          2HD2      LEU 115 -32.845  39.300 -21.285
  929    H    THR 116           H        THR 116 -33.495  35.135 -24.062
  930    HA   THR 116           HA       THR 116 -30.819  34.495 -25.265
  931    HB   THR 116           HB       THR 116 -32.261  33.807 -27.241
  932    HG1  THR 116           HG1      THR 116 -34.427  33.667 -26.923
  933   1HG2  THR 116          3HG2      THR 116 -31.357  32.180 -25.593
  934   2HG2  THR 116          2HG2      THR 116 -32.819  32.378 -24.628
  935   3HG2  THR 116          1HG2      THR 116 -32.918  31.675 -26.241
  936    H    THR 117           H        THR 117 -29.868  36.359 -26.105
  937    HA   THR 117           HA       THR 117 -31.700  38.463 -27.220
  938    HB   THR 117           HB       THR 117 -28.965  38.905 -26.007
  939    HG1  THR 117           HG1      THR 117 -29.917  39.135 -24.060
  940   1HG2  THR 117          2HG2      THR 117 -30.453  40.595 -27.446
  941   2HG2  THR 117          1HG2      THR 117 -31.228  40.843 -25.881
  942   3HG2  THR 117          3HG2      THR 117 -29.500  41.143 -26.068

  No H/Q in entry =         942
  Start of MODEL   19
    1    H1   MET   1           H        MET   1 -18.013 -12.128  -5.906
    2    H2   MET   1           HN2      MET   1 -17.413 -13.631  -5.387
    3    HA   MET   1           HA       MET   1 -17.969 -14.673  -7.443
    4   1HB   MET   1          1HB       MET   1 -19.505 -12.093  -7.706
    5   2HB   MET   1          2HB       MET   1 -19.104 -13.035  -9.142
    6   1HG   MET   1          1HG       MET   1 -20.328 -14.434  -6.790
    7   2HG   MET   1          2HG       MET   1 -21.367 -13.482  -7.851
    8   1HE   MET   1          3HE       MET   1 -22.799 -15.356  -8.583
    9   2HE   MET   1          2HE       MET   1 -22.256 -16.924  -9.175
   10   3HE   MET   1          1HE       MET   1 -21.956 -16.472  -7.500
   11    H    ALA   2           H        ALA   2 -15.563 -13.591  -6.525
   12    HA   ALA   2           HA       ALA   2 -14.485 -12.322  -9.008
   13   1HB   ALA   2          2HB       ALA   2 -13.097 -10.954  -7.210
   14   2HB   ALA   2          1HB       ALA   2 -14.718 -10.428  -7.664
   15   3HB   ALA   2          3HB       ALA   2 -14.471 -11.336  -6.172
   16    H    GLU   3           H        GLU   3 -11.998 -12.499  -9.029
   17    HA   GLU   3           HA       GLU   3 -11.044 -14.820  -7.384
   18   1HB   GLU   3          1HB       GLU   3 -11.139 -14.346 -10.337
   19   2HB   GLU   3          2HB       GLU   3  -9.752 -15.226  -9.692
   20   1HG   GLU   3          1HG       GLU   3 -11.037 -17.015  -8.985
   21   2HG   GLU   3          2HG       GLU   3 -12.481 -16.025  -8.765
   22    H    GLN   4           H        GLN   4 -10.547 -11.994  -6.821
   23    HA   GLN   4           HA       GLN   4  -7.598 -11.901  -7.357
   24   1HB   GLN   4          1HB       GLN   4  -9.678  -9.694  -7.480
   25   2HB   GLN   4          2HB       GLN   4  -7.938  -9.413  -7.570
   26   1HG   GLN   4          1HG       GLN   4  -7.779 -10.788  -9.580
   27   2HG   GLN   4          2HG       GLN   4  -9.491 -11.195  -9.470
   28   1HE2  GLN   4          1HE2      GLN   4 -11.068  -9.534 -10.097
   29   2HE2  GLN   4          2HE2      GLN   4 -10.580  -8.103 -10.868
   30    H    ARG   5           H        ARG   5  -6.350 -10.902  -5.600
   31    HA   ARG   5           HA       ARG   5  -7.878 -10.251  -3.116
   32   1HB   ARG   5          1HB       ARG   5  -6.983 -12.725  -3.473
   33   2HB   ARG   5          2HB       ARG   5  -5.448 -12.004  -2.990
   34   1HG   ARG   5          1HG       ARG   5  -6.178 -11.540  -0.848
   35   2HG   ARG   5          2HG       ARG   5  -7.862 -11.376  -1.345
   36   1HD   ARG   5          1HD       ARG   5  -7.779 -13.917  -1.831
   37   2HD   ARG   5          2HD       ARG   5  -6.294 -13.914  -0.859
   38    HE   ARG   5           HE       ARG   5  -8.964 -13.013   0.148
   39   1HH1  ARG   5          1HH1      ARG   5  -7.639 -11.764   2.080
   40   2HH1  ARG   5          2HH1      ARG   5  -6.935 -12.940   3.137
   41   1HH2  ARG   5          1HH2      ARG   5  -7.227 -15.545   0.868
   42   2HH2  ARG   5          2HH2      ARG   5  -6.701 -15.081   2.451
   43    H    PHE   6           H        PHE   6  -6.782  -8.713  -1.773
   44    HA   PHE   6           HA       PHE   6  -4.223  -7.621  -2.911
   45   1HB   PHE   6          1HB       PHE   6  -6.780  -6.479  -2.005
   46   2HB   PHE   6          2HB       PHE   6  -5.377  -5.662  -1.326
   47    HD1  PHE   6           HD1      PHE   6  -4.067  -4.173  -2.642
   48    HD2  PHE   6           HD2      PHE   6  -6.906  -6.790  -4.532
   49    HE1  PHE   6           HE1      PHE   6  -3.777  -2.952  -4.775
   50    HE2  PHE   6           HE2      PHE   6  -6.607  -5.570  -6.670
   51    HZ   PHE   6           HZ       PHE   6  -5.046  -3.646  -6.791
   52    H    CYS   7           H        CYS   7  -2.536  -7.130  -1.399
   53    HA   CYS   7           HA       CYS   7  -3.035  -7.947   1.447
   54   1HB   CYS   7          1HB       CYS   7  -1.781  -9.618   0.020
   55   2HB   CYS   7          2HB       CYS   7  -0.536  -8.393  -0.224
   56    HG   CYS   7           HG       CYS   7  -0.521 -10.162   2.086
   57    H    VAL   8           H        VAL   8  -1.885  -6.595   3.013
   58    HA   VAL   8           HA       VAL   8  -0.441  -4.267   1.793
   59    HB   VAL   8           HB       VAL   8  -1.542  -2.883   3.608
   60   1HG1  VAL   8          2HG1      VAL   8  -2.487  -3.706   1.108
   61   2HG1  VAL   8          1HG1      VAL   8  -3.886  -3.858   2.169
   62   3HG1  VAL   8          3HG1      VAL   8  -3.046  -2.313   2.033
   63   1HG2  VAL   8          1HG2      VAL   8  -2.178  -4.803   5.091
   64   2HG2  VAL   8          3HG2      VAL   8  -3.541  -3.765   4.698
   65   3HG2  VAL   8          2HG2      VAL   8  -3.350  -5.311   3.879
   66    H    ASP   9           H        ASP   9   1.686  -4.554   2.413
   67    HA   ASP   9           HA       ASP   9   2.179  -5.243   5.303
   68   1HB   ASP   9          1HB       ASP   9   2.710  -6.819   3.188
   69   2HB   ASP   9          2HB       ASP   9   4.177  -5.842   3.171
   70    H    TYR  10           H        TYR  10   4.231  -4.343   6.172
   71    HA   TYR  10           HA       TYR  10   4.809  -1.649   4.988
   72   1HB   TYR  10          1HB       TYR  10   4.482  -2.782   7.647
   73   2HB   TYR  10          2HB       TYR  10   6.031  -1.955   7.522
   74    HD1  TYR  10           HD1      TYR  10   5.541   0.271   5.728
   75    HD2  TYR  10           HD2      TYR  10   2.978  -1.387   8.751
   76    HE1  TYR  10           HE1      TYR  10   4.393   2.457   5.952
   77    HE2  TYR  10           HE2      TYR  10   1.832   0.797   8.973
   78    HH   TYR  10           HH       TYR  10   1.547   2.917   7.164
   79    H    ALA  11           H        ALA  11   7.072  -0.953   4.812
   80    HA   ALA  11           HA       ALA  11   8.900  -3.234   4.206
   81   1HB   ALA  11          3HB       ALA  11   8.339  -0.725   3.053
   82   2HB   ALA  11          2HB       ALA  11   9.959  -0.563   3.730
   83   3HB   ALA  11          1HB       ALA  11   9.612  -1.842   2.565
   84    H    LYS  12           H        LYS  12  10.823  -3.615   5.396
   85    HA   LYS  12           HA       LYS  12  11.239  -1.850   7.790
   86   1HB   LYS  12          1HB       LYS  12  11.726  -4.799   7.273
   87   2HB   LYS  12          2HB       LYS  12  12.241  -3.970   8.742
   88   1HG   LYS  12          1HG       LYS  12  10.020  -3.535   9.416
   89   2HG   LYS  12          2HG       LYS  12   9.377  -3.843   7.803
   90   1HD   LYS  12          1HD       LYS  12   9.980  -6.226   8.012
   91   2HD   LYS  12          2HD       LYS  12  10.624  -5.922   9.626
   92   1HE   LYS  12          1HE       LYS  12   7.856  -4.954   9.215
   93   2HE   LYS  12          2HE       LYS  12   8.050  -6.717   9.166
   94   1HZ   LYS  12          1HZ       LYS  12   9.413  -6.527  11.204
   95   2HZ   LYS  12          3HZ       LYS  12   9.022  -4.879  11.290
   96   3HZ   LYS  12          2HZ       LYS  12   7.800  -6.050  11.441
   97    H    ARG  13           H        ARG  13  13.193  -4.172   5.803
   98    HA   ARG  13           HA       ARG  13  15.292  -2.055   5.571
   99   1HB   ARG  13          1HB       ARG  13  16.969  -3.788   6.214
  100   2HB   ARG  13          2HB       ARG  13  15.819  -3.462   7.510
  101   1HG   ARG  13          1HG       ARG  13  14.832  -5.528   7.341
  102   2HG   ARG  13          2HG       ARG  13  15.088  -5.626   5.600
  103   1HD   ARG  13          1HD       ARG  13  17.537  -5.991   6.028
  104   2HD   ARG  13          2HD       ARG  13  17.175  -6.055   7.765
  105    HE   ARG  13           HE       ARG  13  15.949  -7.932   5.774
  106   1HH1  ARG  13          1HH1      ARG  13  18.388  -8.524   7.627
  107   2HH1  ARG  13          2HH1      ARG  13  17.609  -9.470   8.851
  108   1HH2  ARG  13          1HH2      ARG  13  14.404  -8.549   7.896
  109   2HH2  ARG  13          2HH2      ARG  13  15.353  -9.485   9.002
  110    H    GLY  14           H        GLY  14  13.416  -2.990   3.528
  111   1HA   GLY  14          2HA       GLY  14  13.830  -4.905   1.760
  112   2HA   GLY  14          1HA       GLY  14  15.397  -4.107   1.609
  113    H    THR  15           H        THR  15  15.407  -2.802  -0.211
  114    HA   THR  15           HA       THR  15  12.953  -1.153  -0.734
  115    HB   THR  15           HB       THR  15  14.571   0.429  -1.759
  116    HG1  THR  15           HG1      THR  15  16.698  -0.055  -1.804
  117   1HG2  THR  15          2HG2      THR  15  14.202  -0.064   0.933
  118   2HG2  THR  15          1HG2      THR  15  15.958  -0.064   0.780
  119   3HG2  THR  15          3HG2      THR  15  15.028   1.342   0.262
  120    H    ALA  16           H        ALA  16  12.145  -1.095  -2.910
  121    HA   ALA  16           HA       ALA  16  13.616  -2.496  -5.047
  122   1HB   ALA  16          3HB       ALA  16  10.885  -3.578  -4.522
  123   2HB   ALA  16          2HB       ALA  16  12.331  -4.417  -5.082
  124   3HB   ALA  16          1HB       ALA  16  12.142  -4.036  -3.371
  125    H    GLY  17           H        GLY  17  12.808  -1.972  -7.158
  126   1HA   GLY  17          2HA       GLY  17  11.565  -0.767  -8.750
  127   2HA   GLY  17          1HA       GLY  17  11.433   0.474  -7.499
  128    H    CYS  18           H        CYS  18   9.297   0.963  -7.058
  129    HA   CYS  18           HA       CYS  18   7.439  -1.072  -6.251
  130   1HB   CYS  18          1HB       CYS  18   5.833   0.750  -6.129
  131   2HB   CYS  18          2HB       CYS  18   7.391   1.304  -5.549
  132    H    LYS  19           H        LYS  19   6.279  -2.481  -7.451
  133    HA   LYS  19           HA       LYS  19   6.290  -2.380 -10.368
  134   1HB   LYS  19          1HB       LYS  19   4.813  -4.062  -8.317
  135   2HB   LYS  19          2HB       LYS  19   4.673  -4.335 -10.054
  136   1HG   LYS  19          1HG       LYS  19   7.354  -4.256  -9.863
  137   2HG   LYS  19          2HG       LYS  19   6.981  -4.829  -8.237
  138   1HD   LYS  19          1HD       LYS  19   5.772  -6.724  -9.094
  139   2HD   LYS  19          2HD       LYS  19   5.839  -6.092 -10.739
  140   1HE   LYS  19          1HE       LYS  19   8.371  -6.241 -10.596
  141   2HE   LYS  19          2HE       LYS  19   8.153  -7.132  -9.076
  142   1HZ   LYS  19          1HZ       LYS  19   6.689  -8.675 -10.238
  143   2HZ   LYS  19          3HZ       LYS  19   6.936  -7.842 -11.695
  144   3HZ   LYS  19          2HZ       LYS  19   8.230  -8.656 -10.953
  145    H    LYS  20           H        LYS  20   4.330  -2.105 -11.743
  146    HA   LYS  20           HA       LYS  20   2.318  -1.050 -12.351
  147   1HB   LYS  20          1HB       LYS  20   1.801  -2.384 -10.016
  148   2HB   LYS  20          2HB       LYS  20   1.379  -0.733  -9.558
  149   1HG   LYS  20          1HG       LYS  20  -0.633  -1.542 -10.456
  150   2HG   LYS  20          2HG       LYS  20   0.084  -0.693 -11.825
  151   1HD   LYS  20          1HD       LYS  20   1.144  -2.949 -12.457
  152   2HD   LYS  20          2HD       LYS  20   0.016  -3.667 -11.306
  153   1HE   LYS  20          1HE       LYS  20  -1.223  -1.754 -13.195
  154   2HE   LYS  20          2HE       LYS  20  -0.594  -3.240 -13.935
  155   1HZ   LYS  20          2HZ       LYS  20  -1.691  -4.477 -12.093
  156   2HZ   LYS  20          1HZ       LYS  20  -2.454  -3.030 -11.630
  157   3HZ   LYS  20          3HZ       LYS  20  -2.778  -3.711 -13.150
  158    H    CYS  21           H        CYS  21   4.810   0.544 -11.077
  159    HA   CYS  21           HA       CYS  21   3.766   3.136 -11.645
  160   1HB   CYS  21          1HB       CYS  21   3.846   4.058  -9.310
  161   2HB   CYS  21          2HB       CYS  21   2.525   2.947  -9.602
  162    H    LYS  22           H        LYS  22   5.457   4.782 -11.622
  163    HA   LYS  22           HA       LYS  22   8.178   3.594 -11.657
  164   1HB   LYS  22          1HB       LYS  22   6.887   6.158 -12.556
  165   2HB   LYS  22          2HB       LYS  22   8.645   6.063 -12.444
  166   1HG   LYS  22          1HG       LYS  22   7.005   4.000 -13.926
  167   2HG   LYS  22          2HG       LYS  22   7.637   5.448 -14.712
  168   1HD   LYS  22          1HD       LYS  22   9.552   3.843 -13.086
  169   2HD   LYS  22          2HD       LYS  22   9.031   3.156 -14.626
  170   1HE   LYS  22          1HE       LYS  22   9.852   6.038 -14.597
  171   2HE   LYS  22          2HE       LYS  22  11.123   4.801 -14.530
  172   1HZ   LYS  22          1HZ       LYS  22  10.005   3.681 -16.408
  173   2HZ   LYS  22          3HZ       LYS  22   8.932   4.989 -16.528
  174   3HZ   LYS  22          2HZ       LYS  22  10.590   5.222 -16.818
  175    H    GLU  23           H        GLU  23   8.710   3.319  -9.405
  176    HA   GLU  23           HA       GLU  23   9.807   5.686  -8.120
  177   1HB   GLU  23          1HB       GLU  23   7.139   5.446  -7.777
  178   2HB   GLU  23          2HB       GLU  23   7.692   4.458  -6.435
  179   1HG   GLU  23          1HG       GLU  23   8.501   6.215  -5.277
  180   2HG   GLU  23          2HG       GLU  23   9.150   6.995  -6.721
  181    H    LYS  24           H        LYS  24  10.281   4.894  -5.574
  182    HA   LYS  24           HA       LYS  24  11.257   2.048  -5.700
  183   1HB   LYS  24          1HB       LYS  24  13.344   2.895  -4.637
  184   2HB   LYS  24          2HB       LYS  24  13.078   3.637  -6.213
  185   1HG   LYS  24          1HG       LYS  24  12.308   5.676  -5.231
  186   2HG   LYS  24          2HG       LYS  24  12.172   4.937  -3.635
  187   1HD   LYS  24          1HD       LYS  24  14.200   6.111  -3.483
  188   2HD   LYS  24          2HD       LYS  24  14.728   4.479  -3.895
  189   1HE   LYS  24          1HE       LYS  24  15.894   5.586  -5.545
  190   2HE   LYS  24          2HE       LYS  24  14.336   5.521  -6.392
  191   1HZ   LYS  24          2HZ       LYS  24  13.733   7.617  -5.279
  192   2HZ   LYS  24          1HZ       LYS  24  15.295   7.704  -4.618
  193   3HZ   LYS  24          3HZ       LYS  24  15.081   7.795  -6.299
  194    H    ILE  25           H        ILE  25  11.362   1.025  -3.568
  195    HA   ILE  25           HA       ILE  25   9.664   2.434  -1.540
  196    HB   ILE  25           HB       ILE  25  10.264  -0.501  -2.039
  197   1HG1  ILE  25          1HG1      ILE  25   7.645   0.982  -2.352
  198   2HG1  ILE  25          2HG1      ILE  25   8.794   0.819  -3.679
  199   1HG2  ILE  25          1HG2      ILE  25   9.465   0.691   0.361
  200   2HG2  ILE  25          3HG2      ILE  25   7.958   0.123  -0.355
  201   3HG2  ILE  25          2HG2      ILE  25   9.280  -1.007  -0.068
  202   1HD1  ILE  25          2HD1      ILE  25   7.604  -1.500  -2.129
  203   2HD1  ILE  25          1HD1      ILE  25   7.053  -0.961  -3.718
  204   3HD1  ILE  25          3HD1      ILE  25   8.679  -1.620  -3.522
  205    H    VAL  26           H        VAL  26  10.462   2.770   0.554
  206    HA   VAL  26           HA       VAL  26  13.115   1.574   1.265
  207    HB   VAL  26           HB       VAL  26  12.257   4.484   1.484
  208   1HG1  VAL  26          2HG1      VAL  26  14.789   3.022   2.278
  209   2HG1  VAL  26          1HG1      VAL  26  14.698   4.777   2.119
  210   3HG1  VAL  26          3HG1      VAL  26  13.711   3.948   3.323
  211   1HG2  VAL  26          1HG2      VAL  26  14.137   3.011  -0.376
  212   2HG2  VAL  26          3HG2      VAL  26  12.778   4.052  -0.805
  213   3HG2  VAL  26          2HG2      VAL  26  14.245   4.753  -0.120
  214    H    LYS  27           H        LYS  27  13.489   1.651   3.654
  215    HA   LYS  27           HA       LYS  27  11.402   0.671   5.251
  216   1HB   LYS  27          1HB       LYS  27  13.828   0.744   5.842
  217   2HB   LYS  27          2HB       LYS  27  13.674   2.470   6.170
  218   1HG   LYS  27          1HG       LYS  27  11.998   1.996   7.915
  219   2HG   LYS  27          2HG       LYS  27  12.139   0.269   7.586
  220   1HD   LYS  27          1HD       LYS  27  14.231   0.111   8.557
  221   2HD   LYS  27          2HD       LYS  27  14.643   1.786   8.186
  222   1HE   LYS  27          1HE       LYS  27  13.174   2.599   9.955
  223   2HE   LYS  27          2HE       LYS  27  12.600   0.950  10.275
  224   1HZ   LYS  27          1HZ       LYS  27  15.456   1.753  10.383
  225   2HZ   LYS  27          3HZ       LYS  27  14.455   1.676  11.749
  226   3HZ   LYS  27          2HZ       LYS  27  14.789   0.266  10.862
  227    H    GLY  28           H        GLY  28   9.547   1.558   6.179
  228   1HA   GLY  28          2HA       GLY  28   9.478   4.516   6.562
  229   2HA   GLY  28          1HA       GLY  28   8.494   3.365   7.457
  230    H    VAL  29           H        VAL  29   8.183   2.144   4.399
  231    HA   VAL  29           HA       VAL  29   5.892   3.968   3.785
  232    HB   VAL  29           HB       VAL  29   7.926   4.123   2.280
  233   1HG1  VAL  29          1HG1      VAL  29   8.522   1.700   2.336
  234   2HG1  VAL  29          3HG1      VAL  29   7.059   1.344   1.422
  235   3HG1  VAL  29          2HG1      VAL  29   8.342   2.309   0.693
  236   1HG2  VAL  29          2HG2      VAL  29   5.568   4.676   1.575
  237   2HG2  VAL  29          1HG2      VAL  29   6.627   4.195   0.249
  238   3HG2  VAL  29          3HG2      VAL  29   5.452   3.051   0.899
  239    H    CYS  30           H        CYS  30   3.893   2.934   3.469
  240    HA   CYS  30           HA       CYS  30   3.779   0.025   4.002
  241   1HB   CYS  30          1HB       CYS  30   2.171   1.681   4.971
  242   2HB   CYS  30          2HB       CYS  30   1.579   2.018   3.343
  243    HG   CYS  30           HG       CYS  30   0.080   0.077   3.664
  244    H    ARG  31           H        ARG  31   3.222  -1.587   2.453
  245    HA   ARG  31           HA       ARG  31   2.995  -0.622  -0.387
  246   1HB   ARG  31          1HB       ARG  31   4.189  -3.166   0.763
  247   2HB   ARG  31          2HB       ARG  31   4.171  -2.724  -0.943
  248   1HG   ARG  31          1HG       ARG  31   5.594  -0.816  -0.536
  249   2HG   ARG  31          2HG       ARG  31   5.474  -1.041   1.212
  250   1HD   ARG  31          1HD       ARG  31   6.462  -3.364  -0.395
  251   2HD   ARG  31          2HD       ARG  31   7.568  -2.001  -0.157
  252    HE   ARG  31           HE       ARG  31   6.959  -2.247   2.346
  253   1HH1  ARG  31          1HH1      ARG  31   9.043  -4.092   2.082
  254   2HH1  ARG  31          2HH1      ARG  31   8.341  -5.650   2.366
  255   1HH2  ARG  31          1HH2      ARG  31   5.088  -4.576   1.842
  256   2HH2  ARG  31          2HH2      ARG  31   6.105  -5.924   2.230
  257    H    ILE  32           H        ILE  32   1.410  -1.666  -1.721
  258    HA   ILE  32           HA       ILE  32  -0.402  -3.590  -0.290
  259    HB   ILE  32           HB       ILE  32  -1.310  -1.798  -2.554
  260   1HG1  ILE  32          1HG1      ILE  32  -1.345  -0.979   0.376
  261   2HG1  ILE  32          2HG1      ILE  32  -0.238  -0.307  -0.820
  262   1HG2  ILE  32          3HG2      ILE  32  -2.546  -3.781  -1.157
  263   2HG2  ILE  32          2HG2      ILE  32  -3.035  -2.363  -0.227
  264   3HG2  ILE  32          1HG2      ILE  32  -3.390  -2.451  -1.950
  265   1HD1  ILE  32          1HD1      ILE  32  -3.103  -0.281  -1.578
  266   2HD1  ILE  32          3HD1      ILE  32  -2.654   0.790  -0.251
  267   3HD1  ILE  32          2HD1      ILE  32  -1.862   0.948  -1.818
  268    H    GLY  33           H        GLY  33   0.060  -5.615  -1.237
  269   1HA   GLY  33          2HA       GLY  33   1.098  -6.940  -2.998
  270   2HA   GLY  33          1HA       GLY  33   0.742  -5.641  -4.134
  271    H    LYS  34           H        LYS  34  -0.574  -6.705  -5.641
  272    HA   LYS  34           HA       LYS  34  -3.138  -7.827  -4.568
  273   1HB   LYS  34          1HB       LYS  34  -3.351  -5.881  -6.022
  274   2HB   LYS  34          2HB       LYS  34  -2.354  -6.648  -7.256
  275   1HG   LYS  34          1HG       LYS  34  -4.085  -8.490  -7.377
  276   2HG   LYS  34          2HG       LYS  34  -5.105  -7.513  -6.321
  277   1HD   LYS  34          1HD       LYS  34  -4.926  -5.640  -7.989
  278   2HD   LYS  34          2HD       LYS  34  -4.077  -6.748  -9.068
  279   1HE   LYS  34          1HE       LYS  34  -6.101  -8.312  -8.821
  280   2HE   LYS  34          2HE       LYS  34  -6.943  -6.922  -8.107
  281   1HZ   LYS  34          2HZ       LYS  34  -6.309  -5.605 -10.049
  282   2HZ   LYS  34          1HZ       LYS  34  -5.575  -6.968 -10.746
  283   3HZ   LYS  34          3HZ       LYS  34  -7.253  -6.944 -10.500
  284    H    VAL  35           H        VAL  35  -3.346 -10.080  -4.751
  285    HA   VAL  35           HA       VAL  35  -1.406 -11.499  -6.535
  286    HB   VAL  35           HB       VAL  35  -3.230 -12.497  -4.315
  287   1HG1  VAL  35          2HG1      VAL  35  -2.550 -14.183  -6.065
  288   2HG1  VAL  35          1HG1      VAL  35  -0.869 -13.865  -5.635
  289   3HG1  VAL  35          3HG1      VAL  35  -1.968 -14.556  -4.442
  290   1HG2  VAL  35          3HG2      VAL  35  -0.439 -11.424  -4.389
  291   2HG2  VAL  35          2HG2      VAL  35  -1.667 -11.264  -3.134
  292   3HG2  VAL  35          1HG2      VAL  35  -0.772 -12.773  -3.305
  293    H    VAL  36           H        VAL  36  -2.234 -11.982  -8.573
  294    HA   VAL  36           HA       VAL  36  -5.150 -12.667  -8.759
  295    HB   VAL  36           HB       VAL  36  -3.227 -11.470 -10.783
  296   1HG1  VAL  36          3HG1      VAL  36  -6.197 -12.072 -10.916
  297   2HG1  VAL  36          2HG1      VAL  36  -5.334 -11.083 -12.094
  298   3HG1  VAL  36          1HG1      VAL  36  -4.929 -12.789 -11.910
  299   1HG2  VAL  36          3HG2      VAL  36  -5.371 -10.317  -8.994
  300   2HG2  VAL  36          2HG2      VAL  36  -3.706  -9.772  -9.202
  301   3HG2  VAL  36          1HG2      VAL  36  -4.889  -9.504 -10.484
  302    HA   PRO  37           HA       PRO  37  -3.192 -16.608  -9.862
  303   1HB   PRO  37          1HB       PRO  37  -5.492 -18.092  -9.913
  304   2HB   PRO  37          2HB       PRO  37  -4.640 -17.682  -8.410
  305   1HG   PRO  37          1HG       PRO  37  -7.061 -16.436  -9.613
  306   2HG   PRO  37          2HG       PRO  37  -6.694 -16.781  -7.916
  307   1HD   PRO  37          1HD       PRO  37  -6.473 -14.303  -9.020
  308   2HD   PRO  37          2HD       PRO  37  -5.487 -14.854  -7.648
  309    H    ASN  38           H        ASN  38  -3.051 -17.748 -11.891
  310    HA   ASN  38           HA       ASN  38  -4.599 -16.475 -14.119
  311   1HB   ASN  38          1HB       ASN  38  -1.945 -17.866 -13.824
  312   2HB   ASN  38          2HB       ASN  38  -2.704 -17.773 -15.413
  313   1HD2  ASN  38          2HD2      ASN  38  -3.044 -15.572 -16.353
  314   2HD2  ASN  38          1HD2      ASN  38  -2.172 -14.248 -15.746
  315    HA   PRO  39           HA       PRO  39  -6.804 -20.188 -14.975
  316   1HB   PRO  39          1HB       PRO  39  -6.681 -20.407 -17.706
  317   2HB   PRO  39          2HB       PRO  39  -7.692 -19.207 -16.875
  318   1HG   PRO  39          1HG       PRO  39  -5.015 -18.871 -18.143
  319   2HG   PRO  39          2HG       PRO  39  -6.421 -17.795 -18.176
  320   1HD   PRO  39          1HD       PRO  39  -4.290 -17.365 -16.563
  321   2HD   PRO  39          2HD       PRO  39  -5.944 -16.887 -16.118
  322    H    PHE  40           H        PHE  40  -3.651 -19.958 -16.703
  323    HA   PHE  40           HA       PHE  40  -3.371 -22.934 -16.436
  324   1HB   PHE  40          1HB       PHE  40  -3.163 -21.356 -18.636
  325   2HB   PHE  40          2HB       PHE  40  -1.491 -21.313 -18.079
  326    HD1  PHE  40           HD1      PHE  40  -4.105 -23.332 -19.601
  327    HD2  PHE  40           HD2      PHE  40  -0.233 -23.462 -17.744
  328    HE1  PHE  40           HE1      PHE  40  -3.736 -25.601 -20.530
  329    HE2  PHE  40           HE2      PHE  40   0.135 -25.733 -18.672
  330    HZ   PHE  40           HZ       PHE  40  -1.617 -26.802 -20.065
  331    H    SER  41           H        SER  41  -1.289 -23.746 -15.587
  332    HA   SER  41           HA       SER  41   0.157 -21.702 -13.930
  333   1HB   SER  41          1HB       SER  41   0.371 -23.406 -12.284
  334   2HB   SER  41          2HB       SER  41  -1.272 -23.585 -12.892
  335    HG   SER  41           HG       SER  41  -0.681 -25.357 -13.994
  336    H    GLU  42           H        GLU  42   1.994 -21.209 -15.212
  337    HA   GLU  42           HA       GLU  42   3.504 -23.510 -16.398
  338   1HB   GLU  42          1HB       GLU  42   3.197 -20.583 -16.942
  339   2HB   GLU  42          2HB       GLU  42   4.728 -21.338 -17.383
  340   1HG   GLU  42          1HG       GLU  42   3.585 -21.796 -19.318
  341   2HG   GLU  42          2HG       GLU  42   3.038 -23.186 -18.379
  342    H    SER  43           H        SER  43   4.454 -20.343 -14.925
  343    HA   SER  43           HA       SER  43   6.859 -21.661 -13.770
  344   1HB   SER  43          1HB       SER  43   6.146 -18.784 -13.317
  345   2HB   SER  43          2HB       SER  43   7.721 -19.505 -13.637
  346    HG   SER  43           HG       SER  43   7.119 -18.505 -15.502
  347    H    GLY  44           H        GLY  44   3.949 -19.870 -12.610
  348   1HA   GLY  44          2HA       GLY  44   4.183 -19.540  -9.978
  349   2HA   GLY  44          1HA       GLY  44   4.220 -21.302 -10.021
  350    H    GLY  45           H        GLY  45   2.204 -18.495 -11.046
  351   1HA   GLY  45          2HA       GLY  45  -0.194 -20.128 -10.383
  352   2HA   GLY  45          1HA       GLY  45  -0.107 -19.370 -11.974
  353    H    ASP  46           H        ASP  46   0.901 -18.098  -8.753
  354    HA   ASP  46           HA       ASP  46  -1.122 -15.908  -9.117
  355   1HB   ASP  46          1HB       ASP  46   0.091 -17.266  -6.694
  356   2HB   ASP  46          2HB       ASP  46  -0.861 -15.786  -6.575
  357    H    MET  47           H        MET  47  -0.232 -13.859  -9.449
  358    HA   MET  47           HA       MET  47   2.645 -13.469  -8.679
  359   1HB   MET  47          1HB       MET  47   2.085 -13.535 -11.116
  360   2HB   MET  47          2HB       MET  47   1.000 -12.164 -10.872
  361   1HG   MET  47          1HG       MET  47   2.940 -10.852  -9.986
  362   2HG   MET  47          2HG       MET  47   3.995 -12.203 -10.401
  363   1HE   MET  47          1HE       MET  47   1.336  -9.926 -11.362
  364   2HE   MET  47          3HE       MET  47   1.717  -9.287 -12.966
  365   3HE   MET  47          2HE       MET  47   0.841 -10.807 -12.805
  366    H    LYS  48           H        LYS  48   3.196 -11.470  -7.635
  367    HA   LYS  48           HA       LYS  48   0.890  -9.689  -6.906
  368   1HB   LYS  48          1HB       LYS  48   1.889  -9.599  -4.626
  369   2HB   LYS  48          2HB       LYS  48   1.426 -11.240  -5.070
  370   1HG   LYS  48          1HG       LYS  48   3.701 -11.840  -5.557
  371   2HG   LYS  48          2HG       LYS  48   4.232 -10.162  -5.442
  372   1HD   LYS  48          1HD       LYS  48   3.827 -10.106  -3.077
  373   2HD   LYS  48          2HD       LYS  48   2.986 -11.657  -3.124
  374   1HE   LYS  48          1HE       LYS  48   5.783 -11.628  -4.167
  375   2HE   LYS  48          2HE       LYS  48   5.572 -11.487  -2.410
  376   1HZ   LYS  48          3HZ       LYS  48   4.277 -13.535  -4.131
  377   2HZ   LYS  48          2HZ       LYS  48   5.616 -13.815  -3.122
  378   3HZ   LYS  48          1HZ       LYS  48   4.113 -13.400  -2.449
  379    H    GLU  49           H        GLU  49   1.430  -7.440  -6.865
  380    HA   GLU  49           HA       GLU  49   4.251  -6.775  -7.664
  381   1HB   GLU  49          1HB       GLU  49   1.537  -5.709  -8.468
  382   2HB   GLU  49          2HB       GLU  49   3.014  -4.795  -8.774
  383   1HG   GLU  49          1HG       GLU  49   3.932  -6.628 -10.088
  384   2HG   GLU  49          2HG       GLU  49   2.542  -7.642  -9.700
  385    H    TRP  50           H        TRP  50   5.288  -5.197  -6.370
  386    HA   TRP  50           HA       TRP  50   3.769  -4.200  -4.006
  387   1HB   TRP  50          1HB       TRP  50   6.677  -4.053  -4.859
  388   2HB   TRP  50          2HB       TRP  50   6.068  -3.348  -3.368
  389    HD1  TRP  50           HD1      TRP  50   7.988  -6.077  -4.202
  390    HE1  TRP  50           HE1      TRP  50   7.591  -8.141  -2.725
  391    HE3  TRP  50           HE3      TRP  50   3.442  -4.855  -2.163
  392    HZ2  TRP  50           HZ2      TRP  50   5.611  -9.153  -0.919
  393    HZ3  TRP  50           HZ3      TRP  50   2.341  -6.388  -0.562
  394    HH2  TRP  50           HH2      TRP  50   3.416  -8.535   0.059
  395    H    TYR  51           H        TYR  51   2.629  -2.252  -4.353
  396    HA   TYR  51           HA       TYR  51   4.152  -0.132  -5.808
  397   1HB   TYR  51          1HB       TYR  51   1.653   0.702  -6.280
  398   2HB   TYR  51          2HB       TYR  51   2.493  -0.370  -7.369
  399    HD1  TYR  51           HD1      TYR  51  -0.142  -0.078  -4.848
  400    HD2  TYR  51           HD2      TYR  51   1.890  -2.728  -7.543
  401    HE1  TYR  51           HE1      TYR  51  -2.000  -1.713  -4.644
  402    HE2  TYR  51           HE2      TYR  51   0.046  -4.374  -7.323
  403    HH   TYR  51           HH       TYR  51  -2.644  -3.986  -6.671
  404    H    HIS  52           H        HIS  52   3.174   2.130  -5.235
  405    HA   HIS  52           HA       HIS  52   3.105   2.274  -2.268
  406   1HB   HIS  52          1HB       HIS  52   3.202   4.324  -4.498
  407   2HB   HIS  52          2HB       HIS  52   3.253   4.736  -2.786
  408    HD2  HIS  52           HD2      HIS  52   5.619   3.734  -1.410
  409    HE1  HIS  52           HE1      HIS  52   7.841   3.251  -4.971
  410    HE2  HIS  52           HE2      HIS  52   7.945   3.347  -2.467
  411    H    ILE  53           H        ILE  53   1.504   3.995  -1.337
  412    HA   ILE  53           HA       ILE  53  -1.223   3.214  -2.075
  413    HB   ILE  53           HB       ILE  53  -0.074   5.332  -0.209
  414   1HG1  ILE  53          1HG1      ILE  53  -1.236   2.561   0.230
  415   2HG1  ILE  53          2HG1      ILE  53   0.444   3.040   0.451
  416   1HG2  ILE  53          3HG2      ILE  53  -2.445   5.786  -1.068
  417   2HG2  ILE  53          2HG2      ILE  53  -2.925   4.310  -0.237
  418   3HG2  ILE  53          1HG2      ILE  53  -2.272   5.667   0.681
  419   1HD1  ILE  53          2HD1      ILE  53  -0.513   4.776   2.141
  420   2HD1  ILE  53          1HD1      ILE  53  -1.957   3.762   2.115
  421   3HD1  ILE  53          3HD1      ILE  53  -0.413   3.086   2.643
  422    H    LYS  54           H        LYS  54   0.612   6.332  -2.232
  423    HA   LYS  54           HA       LYS  54  -1.354   7.766  -3.750
  424   1HB   LYS  54          1HB       LYS  54   0.779   8.624  -2.588
  425   2HB   LYS  54          2HB       LYS  54   1.645   8.095  -4.030
  426   1HG   LYS  54          1HG       LYS  54   0.615   9.676  -5.397
  427   2HG   LYS  54          2HG       LYS  54  -0.786   9.828  -4.335
  428   1HD   LYS  54          1HD       LYS  54   1.167  10.671  -2.652
  429   2HD   LYS  54          2HD       LYS  54   1.852  11.183  -4.194
  430   1HE   LYS  54          1HE       LYS  54   0.054  12.630  -4.658
  431   2HE   LYS  54          2HE       LYS  54  -1.032  11.789  -3.534
  432   1HZ   LYS  54          1HZ       LYS  54   0.407  12.475  -1.704
  433   2HZ   LYS  54          3HZ       LYS  54   1.403  13.321  -2.784
  434   3HZ   LYS  54          2HZ       LYS  54  -0.200  13.826  -2.537
  435    H    CYS  55           H        CYS  55   1.317   5.633  -4.830
  436    HA   CYS  55           HA       CYS  55   1.007   6.115  -7.654
  437   1HB   CYS  55          1HB       CYS  55   2.031   3.800  -5.997
  438   2HB   CYS  55          2HB       CYS  55   1.978   3.690  -7.748
  439    H    MET  56           H        MET  56  -0.440   3.608  -5.529
  440    HA   MET  56           HA       MET  56  -2.064   2.477  -7.683
  441   1HB   MET  56          1HB       MET  56  -1.330   1.216  -5.669
  442   2HB   MET  56          2HB       MET  56  -2.350   2.248  -4.669
  443   1HG   MET  56          1HG       MET  56  -3.710   0.365  -5.054
  444   2HG   MET  56          2HG       MET  56  -4.266   1.515  -6.269
  445   1HE   MET  56          3HE       MET  56  -5.349  -0.547  -6.874
  446   2HE   MET  56          2HE       MET  56  -5.010  -0.155  -8.557
  447   3HE   MET  56          1HE       MET  56  -4.712  -1.786  -7.964
  448    H    PHE  57           H        PHE  57  -2.720   4.727  -4.969
  449    HA   PHE  57           HA       PHE  57  -5.536   5.020  -5.646
  450   1HB   PHE  57          1HB       PHE  57  -3.559   6.423  -3.877
  451   2HB   PHE  57          2HB       PHE  57  -5.101   7.210  -4.208
  452    HD1  PHE  57           HD1      PHE  57  -3.423   4.622  -2.332
  453    HD2  PHE  57           HD2      PHE  57  -7.264   5.910  -3.738
  454    HE1  PHE  57           HE1      PHE  57  -4.508   3.177  -0.643
  455    HE2  PHE  57           HE2      PHE  57  -8.360   4.455  -2.060
  456    HZ   PHE  57           HZ       PHE  57  -6.987   3.089  -0.514
  457    H    GLU  58           H        GLU  58  -2.558   6.555  -6.858
  458    HA   GLU  58           HA       GLU  58  -3.949   8.829  -8.075
  459   1HB   GLU  58          1HB       GLU  58  -1.528   8.847  -7.527
  460   2HB   GLU  58          2HB       GLU  58  -1.257   7.557  -8.698
  461   1HG   GLU  58          1HG       GLU  58  -2.326   9.138 -10.426
  462   2HG   GLU  58          2HG       GLU  58  -2.111  10.407  -9.221
  463    H    LYS  59           H        LYS  59  -2.938   5.576  -9.195
  464    HA   LYS  59           HA       LYS  59  -3.665   5.949 -11.966
  465   1HB   LYS  59          1HB       LYS  59  -2.285   4.067 -11.072
  466   2HB   LYS  59          2HB       LYS  59  -3.722   3.419 -10.281
  467   1HG   LYS  59          1HG       LYS  59  -4.821   3.375 -12.575
  468   2HG   LYS  59          2HG       LYS  59  -3.229   3.720 -13.252
  469   1HD   LYS  59          1HD       LYS  59  -3.522   1.456 -11.306
  470   2HD   LYS  59          2HD       LYS  59  -4.031   1.220 -12.977
  471   1HE   LYS  59          1HE       LYS  59  -1.374   2.511 -12.597
  472   2HE   LYS  59          2HE       LYS  59  -1.486   0.788 -12.185
  473   1HZ   LYS  59          1HZ       LYS  59  -2.523   1.978 -14.702
  474   2HZ   LYS  59          3HZ       LYS  59  -1.027   1.188 -14.572
  475   3HZ   LYS  59          2HZ       LYS  59  -2.468   0.327 -14.304
  476    H    LEU  60           H        LEU  60  -5.533   4.782  -9.140
  477    HA   LEU  60           HA       LEU  60  -7.954   4.110 -10.535
  478   1HB   LEU  60          1HB       LEU  60  -7.165   4.829  -7.742
  479   2HB   LEU  60          2HB       LEU  60  -8.879   4.952  -8.131
  480    HG   LEU  60           HG       LEU  60  -8.753   2.605  -9.055
  481   1HD1  LEU  60          3HD1      LEU  60  -6.231   2.694  -9.334
  482   2HD1  LEU  60          2HD1      LEU  60  -6.106   2.523  -7.584
  483   3HD1  LEU  60          1HD1      LEU  60  -6.837   1.238  -8.545
  484   1HD2  LEU  60          1HD2      LEU  60  -8.341   3.367  -6.192
  485   2HD2  LEU  60          3HD2      LEU  60  -9.732   2.599  -6.958
  486   3HD2  LEU  60          2HD2      LEU  60  -8.288   1.651  -6.601
  487    H    GLU  61           H        GLU  61  -6.839   7.238  -9.158
  488    HA   GLU  61           HA       GLU  61  -9.265   8.698  -9.758
  489   1HB   GLU  61          1HB       GLU  61  -7.296   9.323  -8.213
  490   2HB   GLU  61          2HB       GLU  61  -6.474   9.865  -9.678
  491   1HG   GLU  61          1HG       GLU  61  -8.026  11.576 -10.073
  492   2HG   GLU  61          2HG       GLU  61  -9.266  10.811  -9.078
  493    H    ARG  62           H        ARG  62  -6.327   8.036 -11.685
  494    HA   ARG  62           HA       ARG  62  -7.157   9.834 -13.863
  495   1HB   ARG  62          1HB       ARG  62  -4.779   9.297 -13.318
  496   2HB   ARG  62          2HB       ARG  62  -5.071   7.623 -13.794
  497   1HG   ARG  62          1HG       ARG  62  -6.000   8.860 -15.999
  498   2HG   ARG  62          2HG       ARG  62  -4.811  10.058 -15.486
  499   1HD   ARG  62          1HD       ARG  62  -3.976   7.179 -15.494
  500   2HD   ARG  62          2HD       ARG  62  -4.079   8.031 -17.047
  501    HE   ARG  62           HE       ARG  62  -2.137   8.575 -14.943
  502   1HH1  ARG  62          1HH1      ARG  62  -2.367   8.988 -18.109
  503   2HH1  ARG  62          2HH1      ARG  62  -1.998  10.678 -18.172
  504   1HH2  ARG  62          1HH2      ARG  62  -2.360  11.155 -14.756
  505   2HH2  ARG  62          2HH2      ARG  62  -1.993  11.906 -16.273
  506    H    ALA  63           H        ALA  63  -7.333   6.299 -13.227
  507    HA   ALA  63           HA       ALA  63  -8.893   6.017 -15.778
  508   1HB   ALA  63          2HB       ALA  63  -8.249   3.493 -15.087
  509   2HB   ALA  63          1HB       ALA  63  -7.141   4.526 -15.990
  510   3HB   ALA  63          3HB       ALA  63  -6.953   4.344 -14.246
  511    H    ARG  64           H        ARG  64 -11.089   5.544 -15.537
  512    HA   ARG  64           HA       ARG  64 -12.003   4.652 -12.819
  513   1HB   ARG  64          1HB       ARG  64 -12.710   6.909 -13.582
  514   2HB   ARG  64          2HB       ARG  64 -13.439   6.184 -15.016
  515   1HG   ARG  64          1HG       ARG  64 -15.255   6.404 -13.524
  516   2HG   ARG  64          2HG       ARG  64 -14.771   4.718 -13.342
  517   1HD   ARG  64          1HD       ARG  64 -13.899   5.054 -11.223
  518   2HD   ARG  64          2HD       ARG  64 -13.470   6.744 -11.556
  519    HE   ARG  64           HE       ARG  64 -15.815   7.351 -11.275
  520   1HH1  ARG  64          1HH1      ARG  64 -15.280   5.792  -8.769
  521   2HH1  ARG  64          2HH1      ARG  64 -16.620   4.695  -8.732
  522   1HH2  ARG  64          1HH2      ARG  64 -17.453   5.184 -12.062
  523   2HH2  ARG  64          2HH2      ARG  64 -17.850   4.351 -10.597
  524    H    ALA  65           H        ALA  65 -12.121   2.374 -13.070
  525    HA   ALA  65           HA       ALA  65 -13.307   1.248 -15.550
  526   1HB   ALA  65          3HB       ALA  65 -12.642  -0.442 -13.185
  527   2HB   ALA  65          1HB       ALA  65 -11.308   0.419 -13.955
  528   3HB   ALA  65          2HB       ALA  65 -12.288  -0.710 -14.892
  529    H    THR  66           H        THR  66 -14.753   2.566 -12.807
  530    HA   THR  66           HA       THR  66 -16.861   2.274 -11.811
  531    HB   THR  66           HB       THR  66 -17.539   0.539 -14.183
  532    HG1  THR  66           HG1      THR  66 -17.602   2.351 -15.451
  533   1HG2  THR  66          2HG2      THR  66 -19.094   1.437 -12.212
  534   2HG2  THR  66          1HG2      THR  66 -19.129   2.879 -13.227
  535   3HG2  THR  66          3HG2      THR  66 -19.683   1.333 -13.871
  536    H    THR  67           H        THR  67 -14.769   0.334 -11.067
  537    HA   THR  67           HA       THR  67 -16.433  -2.125 -10.629
  538    HB   THR  67           HB       THR  67 -13.955  -3.002 -10.227
  539    HG1  THR  67           HG1      THR  67 -12.469  -1.830 -11.370
  540   1HG2  THR  67          2HG2      THR  67 -15.727  -3.342 -12.185
  541   2HG2  THR  67          1HG2      THR  67 -14.549  -2.392 -13.089
  542   3HG2  THR  67          3HG2      THR  67 -14.067  -3.917 -12.343
  543    H    LYS  68           H        LYS  68 -16.074  -3.181  -8.454
  544    HA   LYS  68           HA       LYS  68 -15.591  -1.101  -6.354
  545   1HB   LYS  68          1HB       LYS  68 -17.035  -3.760  -6.453
  546   2HB   LYS  68          2HB       LYS  68 -16.735  -2.917  -4.933
  547   1HG   LYS  68          1HG       LYS  68 -18.069  -1.558  -7.279
  548   2HG   LYS  68          2HG       LYS  68 -18.990  -2.454  -6.070
  549   1HD   LYS  68          1HD       LYS  68 -17.001  -0.447  -5.096
  550   2HD   LYS  68          2HD       LYS  68 -18.506   0.156  -5.790
  551   1HE   LYS  68          1HE       LYS  68 -18.859  -2.089  -3.892
  552   2HE   LYS  68          2HE       LYS  68 -18.251  -0.585  -3.170
  553   1HZ   LYS  68          1HZ       LYS  68 -20.002   0.594  -4.471
  554   2HZ   LYS  68          3HZ       LYS  68 -20.661  -0.916  -4.873
  555   3HZ   LYS  68          2HZ       LYS  68 -20.608  -0.418  -3.248
  556    H    LYS  69           H        LYS  69 -13.264  -1.169  -6.165
  557    HA   LYS  69           HA       LYS  69 -12.166  -3.798  -5.212
  558   1HB   LYS  69          1HB       LYS  69 -11.216  -1.736  -7.168
  559   2HB   LYS  69          2HB       LYS  69 -10.004  -2.607  -6.227
  560   1HG   LYS  69          1HG       LYS  69 -10.469  -4.624  -7.229
  561   2HG   LYS  69          2HG       LYS  69 -12.170  -4.228  -7.476
  562   1HD   LYS  69          1HD       LYS  69 -11.756  -3.047  -9.434
  563   2HD   LYS  69          2HD       LYS  69 -10.093  -2.676  -8.979
  564   1HE   LYS  69          1HE       LYS  69  -9.288  -4.695  -9.755
  565   2HE   LYS  69          2HE       LYS  69 -10.786  -5.559  -9.359
  566   1HZ   LYS  69          1HZ       LYS  69 -11.906  -4.376 -11.141
  567   2HZ   LYS  69          3HZ       LYS  69 -10.476  -3.552 -11.530
  568   3HZ   LYS  69          2HZ       LYS  69 -10.573  -5.233 -11.754
  569    H    ILE  70           H        ILE  70 -10.867  -3.677  -3.305
  570    HA   ILE  70           HA       ILE  70 -10.087  -2.739  -1.285
  571    HB   ILE  70           HB       ILE  70  -9.546  -0.441  -3.202
  572   1HG1  ILE  70          1HG1      ILE  70  -7.799  -2.789  -2.383
  573   2HG1  ILE  70          2HG1      ILE  70  -8.623  -2.639  -3.935
  574   1HG2  ILE  70          3HG2      ILE  70  -9.328  -0.316  -0.508
  575   2HG2  ILE  70          2HG2      ILE  70  -7.769  -1.043  -0.891
  576   3HG2  ILE  70          1HG2      ILE  70  -8.213   0.514  -1.594
  577   1HD1  ILE  70          3HD1      ILE  70  -7.280  -0.218  -3.702
  578   2HD1  ILE  70          2HD1      ILE  70  -6.141  -1.378  -3.017
  579   3HD1  ILE  70          1HD1      ILE  70  -6.745  -1.600  -4.658
  580    H    GLU  71           H        GLU  71 -12.161  -2.550  -0.174
  581    HA   GLU  71           HA       GLU  71 -13.482   0.138  -0.398
  582   1HB   GLU  71          1HB       GLU  71 -14.668  -2.128  -0.870
  583   2HB   GLU  71          2HB       GLU  71 -14.621  -2.352   0.879
  584   1HG   GLU  71          1HG       GLU  71 -15.673  -0.006   1.032
  585   2HG   GLU  71          2HG       GLU  71 -16.019  -0.183  -0.689
  586    H    ASP  72           H        ASP  72 -13.538   1.452   1.468
  587    HA   ASP  72           HA       ASP  72 -12.972   2.175   3.641
  588   1HB   ASP  72          1HB       ASP  72 -14.670   0.037   3.760
  589   2HB   ASP  72          2HB       ASP  72 -13.325  -0.560   4.731
  590    H    LEU  73           H        LEU  73 -11.621   0.972   5.772
  591    HA   LEU  73           HA       LEU  73  -9.016   0.188   4.507
  592   1HB   LEU  73          1HB       LEU  73  -9.327   2.454   5.680
  593   2HB   LEU  73          2HB       LEU  73  -9.435   1.535   7.182
  594    HG   LEU  73           HG       LEU  73  -7.225   0.448   6.531
  595   1HD1  LEU  73          3HD1      LEU  73  -7.682   1.582   4.095
  596   2HD1  LEU  73          2HD1      LEU  73  -6.609   2.780   4.814
  597   3HD1  LEU  73          1HD1      LEU  73  -6.086   1.102   4.668
  598   1HD2  LEU  73          3HD2      LEU  73  -7.673   2.551   8.067
  599   2HD2  LEU  73          2HD2      LEU  73  -6.022   2.122   7.621
  600   3HD2  LEU  73          1HD2      LEU  73  -6.856   3.419   6.766
  601    H    THR  74           H        THR  74 -11.066  -1.787   5.261
  602    HA   THR  74           HA       THR  74  -9.453  -3.309   7.244
  603    HB   THR  74           HB       THR  74 -11.980  -3.809   8.149
  604    HG1  THR  74           HG1      THR  74 -13.122  -1.920   8.134
  605   1HG2  THR  74          1HG2      THR  74  -9.986  -1.686   8.945
  606   2HG2  THR  74          3HG2      THR  74 -11.431  -2.017   9.899
  607   3HG2  THR  74          2HG2      THR  74 -10.224  -3.281   9.661
  608    H    GLU  75           H        GLU  75  -9.889  -3.663   4.338
  609    HA   GLU  75           HA       GLU  75 -11.277  -6.321   4.417
  610   1HB   GLU  75          1HB       GLU  75 -12.535  -4.342   3.354
  611   2HB   GLU  75          2HB       GLU  75 -11.305  -4.384   2.091
  612   1HG   GLU  75          1HG       GLU  75 -11.885  -6.650   1.500
  613   2HG   GLU  75          2HG       GLU  75 -12.958  -6.792   2.893
  614    H    LEU  76           H        LEU  76  -8.383  -5.762   4.689
  615    HA   LEU  76           HA       LEU  76  -7.427  -7.176   2.237
  616   1HB   LEU  76          1HB       LEU  76  -6.314  -4.665   3.530
  617   2HB   LEU  76          2HB       LEU  76  -5.442  -5.601   2.318
  618    HG   LEU  76           HG       LEU  76  -8.187  -4.377   1.904
  619   1HD1  LEU  76          2HD1      LEU  76  -5.938  -2.931   2.093
  620   2HD1  LEU  76          1HD1      LEU  76  -5.761  -3.468   0.423
  621   3HD1  LEU  76          3HD1      LEU  76  -7.190  -2.555   0.910
  622   1HD2  LEU  76          2HD2      LEU  76  -6.397  -6.157   0.317
  623   2HD2  LEU  76          1HD2      LEU  76  -8.157  -6.059   0.330
  624   3HD2  LEU  76          3HD2      LEU  76  -7.215  -4.866  -0.563
  625    H    GLU  77           H        GLU  77  -5.500  -8.504   2.672
  626    HA   GLU  77           HA       GLU  77  -5.304  -9.336   5.506
  627   1HB   GLU  77          1HB       GLU  77  -5.364 -10.955   3.609
  628   2HB   GLU  77          2HB       GLU  77  -3.832 -10.301   3.030
  629   1HG   GLU  77          1HG       GLU  77  -2.625 -11.169   4.830
  630   2HG   GLU  77          2HG       GLU  77  -4.049 -11.266   5.866
  631    H    GLY  78           H        GLY  78  -4.159  -7.704   6.680
  632   1HA   GLY  78          2HA       GLY  78  -1.643  -6.661   5.547
  633   2HA   GLY  78          1HA       GLY  78  -1.464  -7.694   6.961
  634    H    TRP  79           H        TRP  79  -4.152  -5.370   6.430
  635    HA   TRP  79           HA       TRP  79  -3.058  -3.190   7.912
  636   1HB   TRP  79          1HB       TRP  79  -5.360  -2.406   8.099
  637   2HB   TRP  79          2HB       TRP  79  -5.127  -3.128   6.511
  638    HD1  TRP  79           HD1      TRP  79  -6.706  -5.025   5.847
  639    HE1  TRP  79           HE1      TRP  79  -8.538  -6.382   7.050
  640    HE3  TRP  79           HE3      TRP  79  -5.996  -3.406  10.635
  641    HZ2  TRP  79           HZ2      TRP  79  -9.571  -6.727   9.695
  642    HZ3  TRP  79           HZ3      TRP  79  -7.420  -4.260  12.475
  643    HH2  TRP  79           HH2      TRP  79  -9.206  -5.915  12.011
  644    H    GLU  80           H        GLU  80  -4.537  -6.203   9.119
  645    HA   GLU  80           HA       GLU  80  -5.141  -5.480  11.791
  646   1HB   GLU  80          1HB       GLU  80  -5.334  -7.747  10.506
  647   2HB   GLU  80          2HB       GLU  80  -3.707  -8.050  11.114
  648   1HG   GLU  80          1HG       GLU  80  -4.400  -8.136  13.329
  649   2HG   GLU  80          2HG       GLU  80  -5.807  -7.114  13.036
  650    H    GLU  81           H        GLU  81  -1.927  -6.189  10.357
  651    HA   GLU  81           HA       GLU  81  -0.550  -5.980  12.953
  652   1HB   GLU  81          1HB       GLU  81   0.056  -7.197  10.632
  653   2HB   GLU  81          2HB       GLU  81   0.899  -5.671  10.357
  654   1HG   GLU  81          1HG       GLU  81   2.517  -7.020  11.426
  655   2HG   GLU  81          2HG       GLU  81   1.877  -6.018  12.729
  656    H    LEU  82           H        LEU  82  -1.220  -3.793  10.201
  657    HA   LEU  82           HA       LEU  82   0.558  -1.669  10.647
  658   1HB   LEU  82          1HB       LEU  82  -2.144  -2.015   9.524
  659   2HB   LEU  82          2HB       LEU  82  -1.868  -0.392  10.144
  660    HG   LEU  82           HG       LEU  82   0.156  -0.185   8.783
  661   1HD1  LEU  82          3HD1      LEU  82  -0.341  -3.081   8.354
  662   2HD1  LEU  82          2HD1      LEU  82   0.214  -2.177   6.944
  663   3HD1  LEU  82          1HD1      LEU  82   1.184  -2.197   8.417
  664   1HD2  LEU  82          3HD2      LEU  82  -2.169   0.303   7.857
  665   2HD2  LEU  82          2HD2      LEU  82  -0.913   0.023   6.652
  666   3HD2  LEU  82          1HD2      LEU  82  -2.068  -1.254   7.035
  667    H    GLU  83           H        GLU  83  -0.014   0.552  11.727
  668    HA   GLU  83           HA       GLU  83  -1.063  -0.006  14.481
  669   1HB   GLU  83          1HB       GLU  83   1.341   0.969  13.662
  670   2HB   GLU  83          2HB       GLU  83   0.448   2.477  13.866
  671   1HG   GLU  83          1HG       GLU  83  -0.279   1.494  16.154
  672   2HG   GLU  83          2HG       GLU  83   1.051   0.358  15.926
  673    H    ASP  84           H        ASP  84  -2.336   1.788  15.518
  674    HA   ASP  84           HA       ASP  84  -4.498   2.719  13.895
  675   1HB   ASP  84          1HB       ASP  84  -4.273   2.493  16.472
  676   2HB   ASP  84          2HB       ASP  84  -3.569   4.109  16.412
  677    H    ASN  85           H        ASN  85  -1.532   4.440  14.955
  678    HA   ASN  85           HA       ASN  85  -2.211   6.989  13.802
  679   1HB   ASN  85          1HB       ASN  85   0.424   5.608  14.390
  680   2HB   ASN  85          2HB       ASN  85   0.343   7.268  13.798
  681   1HD2  ASN  85          2HD2      ASN  85   0.110   5.304  16.658
  682   2HD2  ASN  85          1HD2      ASN  85  -0.412   6.534  17.705
  683    H    GLU  86           H        GLU  86  -0.206   4.326  12.449
  684    HA   GLU  86           HA       GLU  86   0.103   5.541   9.844
  685   1HB   GLU  86          1HB       GLU  86   0.133   2.626  10.714
  686   2HB   GLU  86          2HB       GLU  86   0.715   3.210   9.155
  687   1HG   GLU  86          1HG       GLU  86   2.265   4.760  10.461
  688   2HG   GLU  86          2HG       GLU  86   1.831   3.831  11.896
  689    H    LYS  87           H        LYS  87  -2.337   3.292  11.189
  690    HA   LYS  87           HA       LYS  87  -3.801   2.802   8.774
  691   1HB   LYS  87          1HB       LYS  87  -4.113   1.603  10.943
  692   2HB   LYS  87          2HB       LYS  87  -4.837   3.061  11.621
  693   1HG   LYS  87          1HG       LYS  87  -6.492   2.939   9.648
  694   2HG   LYS  87          2HG       LYS  87  -5.908   1.289   9.425
  695   1HD   LYS  87          1HD       LYS  87  -7.667   0.893  10.878
  696   2HD   LYS  87          2HD       LYS  87  -6.363   1.142  12.039
  697   1HE   LYS  87          1HE       LYS  87  -7.200   3.164  12.745
  698   2HE   LYS  87          2HE       LYS  87  -7.799   3.591  11.129
  699   1HZ   LYS  87          2HZ       LYS  87  -8.951   1.452  12.843
  700   2HZ   LYS  87          1HZ       LYS  87  -9.604   3.014  12.693
  701   3HZ   LYS  87          3HZ       LYS  87  -9.552   1.985  11.345
  702    H    GLU  88           H        GLU  88  -4.008   5.500  11.125
  703    HA   GLU  88           HA       GLU  88  -6.344   6.758   9.993
  704   1HB   GLU  88          1HB       GLU  88  -4.014   7.631  11.685
  705   2HB   GLU  88          2HB       GLU  88  -5.114   8.855  11.051
  706   1HG   GLU  88          1HG       GLU  88  -6.946   7.134  11.971
  707   2HG   GLU  88          2HG       GLU  88  -5.623   6.702  13.055
  708    H    GLN  89           H        GLN  89  -2.863   7.022   9.157
  709    HA   GLN  89           HA       GLN  89  -3.209   9.217   7.285
  710   1HB   GLN  89          1HB       GLN  89  -1.037   8.556   8.314
  711   2HB   GLN  89          2HB       GLN  89  -1.079   7.049   7.398
  712   1HG   GLN  89          1HG       GLN  89  -0.989   8.258   5.296
  713   2HG   GLN  89          2HG       GLN  89  -1.132   9.804   6.133
  714   1HE2  GLN  89          1HE2      GLN  89   0.762  10.471   7.535
  715   2HE2  GLN  89          2HE2      GLN  89   2.296   9.822   7.209
  716    H    ILE  90           H        ILE  90  -3.284   5.657   6.907
  717    HA   ILE  90           HA       ILE  90  -3.490   5.722   4.002
  718    HB   ILE  90           HB       ILE  90  -4.420   3.619   5.998
  719   1HG1  ILE  90          1HG1      ILE  90  -1.893   3.315   4.457
  720   2HG1  ILE  90          2HG1      ILE  90  -1.871   4.528   5.736
  721   1HG2  ILE  90          3HG2      ILE  90  -5.254   3.523   3.563
  722   2HG2  ILE  90          2HG2      ILE  90  -3.576   3.209   3.125
  723   3HG2  ILE  90          1HG2      ILE  90  -4.435   2.088   4.179
  724   1HD1  ILE  90          3HD1      ILE  90  -2.968   1.772   6.259
  725   2HD1  ILE  90          2HD1      ILE  90  -1.234   2.083   6.353
  726   3HD1  ILE  90          1HD1      ILE  90  -2.345   2.948   7.415
  727    H    THR  91           H        THR  91  -5.921   5.724   6.657
  728    HA   THR  91           HA       THR  91  -8.258   5.424   5.020
  729    HB   THR  91           HB       THR  91  -9.270   6.891   6.960
  730    HG1  THR  91           HG1      THR  91  -7.925   7.280   8.605
  731   1HG2  THR  91          2HG2      THR  91  -8.796   4.203   6.658
  732   2HG2  THR  91          1HG2      THR  91  -7.985   4.541   8.187
  733   3HG2  THR  91          3HG2      THR  91  -9.696   4.917   7.995
  734    H    GLN  92           H        GLN  92  -6.318   8.328   5.820
  735    HA   GLN  92           HA       GLN  92  -8.033  10.327   4.711
  736   1HB   GLN  92          1HB       GLN  92  -5.666  10.394   5.939
  737   2HB   GLN  92          2HB       GLN  92  -5.062  10.462   4.283
  738   1HG   GLN  92          1HG       GLN  92  -5.961  12.543   3.890
  739   2HG   GLN  92          2HG       GLN  92  -7.325  12.275   4.977
  740   1HE2  GLN  92          1HE2      GLN  92  -5.274  14.574   4.905
  741   2HE2  GLN  92          2HE2      GLN  92  -4.643  14.609   6.480
  742    H    HIS  93           H        HIS  93  -5.690   8.146   3.084
  743    HA   HIS  93           HA       HIS  93  -5.771   9.324   0.473
  744   1HB   HIS  93          1HB       HIS  93  -5.089   6.687   1.668
  745   2HB   HIS  93          2HB       HIS  93  -5.546   6.629  -0.032
  746    HD1  HIS  93           HD1      HIS  93  -3.951   7.672  -1.735
  747    HD2  HIS  93           HD2      HIS  93  -2.717   8.228   2.207
  748    HE1  HIS  93           HE1      HIS  93  -1.561   8.499  -1.842
  749    H    ILE  94           H        ILE  94  -7.754   6.574   1.735
  750    HA   ILE  94           HA       ILE  94  -9.499   6.496  -0.575
  751    HB   ILE  94           HB       ILE  94  -9.837   5.563   2.301
  752   1HG1  ILE  94          1HG1      ILE  94  -9.512   3.686   0.021
  753   2HG1  ILE  94          2HG1      ILE  94  -8.102   4.670   0.413
  754   1HG2  ILE  94          3HG2      ILE  94 -12.040   5.876   1.140
  755   2HG2  ILE  94          2HG2      ILE  94 -11.485   4.781  -0.125
  756   3HG2  ILE  94          1HG2      ILE  94 -11.694   4.189   1.523
  757   1HD1  ILE  94          3HD1      ILE  94  -9.640   2.992   2.413
  758   2HD1  ILE  94          2HD1      ILE  94  -8.121   2.516   1.651
  759   3HD1  ILE  94          1HD1      ILE  94  -8.166   3.910   2.729
  760    H    ALA  95           H        ALA  95  -9.698   8.230   2.554
  761    HA   ALA  95           HA       ALA  95 -12.336   9.323   2.163
  762   1HB   ALA  95          3HB       ALA  95  -9.980  10.585   3.610
  763   2HB   ALA  95          2HB       ALA  95 -11.690  10.894   3.915
  764   3HB   ALA  95          1HB       ALA  95 -10.994   9.320   4.304
  765    H    ASP  96           H        ASP  96  -9.096  10.452   1.116
  766    HA   ASP  96           HA       ASP  96  -9.918  13.025   0.113
  767   1HB   ASP  96          1HB       ASP  96  -7.552  12.164   0.437
  768   2HB   ASP  96          2HB       ASP  96  -7.770  11.199  -1.024
  769    H    LEU  97           H        LEU  97  -9.614   9.853  -1.592
  770    HA   LEU  97           HA       LEU  97 -10.590  10.769  -4.137
  771   1HB   LEU  97          1HB       LEU  97 -10.358   8.145  -2.706
  772   2HB   LEU  97          2HB       LEU  97 -11.354   8.198  -4.160
  773    HG   LEU  97           HG       LEU  97  -9.418   9.266  -5.361
  774   1HD1  LEU  97          2HD1      LEU  97  -7.955   8.505  -2.814
  775   2HD1  LEU  97          1HD1      LEU  97  -7.193   9.089  -4.292
  776   3HD1  LEU  97          3HD1      LEU  97  -8.262  10.149  -3.372
  777   1HD2  LEU  97          2HD2      LEU  97  -9.128   6.525  -4.110
  778   2HD2  LEU  97          1HD2      LEU  97  -9.737   6.925  -5.717
  779   3HD2  LEU  97          3HD2      LEU  97  -8.023   7.116  -5.350
  780    H    SER  98           H        SER  98 -12.344   9.617  -1.221
  781    HA   SER  98           HA       SER  98 -14.936  10.090  -2.644
  782   1HB   SER  98          1HB       SER  98 -14.491   7.906  -1.504
  783   2HB   SER  98          2HB       SER  98 -14.314   8.767   0.023
  784    HG   SER  98           HG       SER  98 -16.432   9.263  -0.004
  785    H    SER  99           H        SER  99 -14.224  12.547  -2.349
  786    HA   SER  99           HA       SER  99 -15.101  13.478   0.370
  787   1HB   SER  99          1HB       SER  99 -13.630  15.427  -0.119
  788   2HB   SER  99          2HB       SER  99 -12.738  13.909  -0.163
  789    HG   SER  99           HG       SER  99 -12.214  15.066  -1.990
  790    H    LYS 100           H        LYS 100 -15.698  16.098  -0.097
  791    HA   LYS 100           HA       LYS 100 -17.560  16.141  -2.445
  792   1HB   LYS 100          1HB       LYS 100 -18.116  16.860   0.452
  793   2HB   LYS 100          2HB       LYS 100 -19.240  17.143  -0.878
  794   1HG   LYS 100          1HG       LYS 100 -18.939  14.608  -1.377
  795   2HG   LYS 100          2HG       LYS 100 -18.303  14.518   0.265
  796   1HD   LYS 100          1HD       LYS 100 -20.516  14.202   0.776
  797   2HD   LYS 100          2HD       LYS 100 -20.530  15.965   0.740
  798   1HE   LYS 100          1HE       LYS 100 -21.385  15.998  -1.513
  799   2HE   LYS 100          2HE       LYS 100 -21.124  14.252  -1.696
  800   1HZ   LYS 100          2HZ       LYS 100 -22.875  15.487   0.366
  801   2HZ   LYS 100          1HZ       LYS 100 -23.439  14.810  -1.088
  802   3HZ   LYS 100          3HZ       LYS 100 -22.678  13.826   0.065
  803    H    ALA 101           H        ALA 101 -18.521  18.607  -2.481
  804    HA   ALA 101           HA       ALA 101 -16.199  20.455  -2.017
  805   1HB   ALA 101          1HB       ALA 101 -16.338  20.004  -4.356
  806   2HB   ALA 101          2HB       ALA 101 -17.139  21.561  -4.146
  807   3HB   ALA 101          3HB       ALA 101 -18.099  20.095  -4.344
  808    H    ALA 102           H        ALA 102 -18.405  20.074  -0.132
  809    HA   ALA 102           HA       ALA 102 -19.723  22.757  -0.376
  810   1HB   ALA 102          3HB       ALA 102 -21.255  20.918  -0.982
  811   2HB   ALA 102          2HB       ALA 102 -20.907  20.119   0.552
  812   3HB   ALA 102          1HB       ALA 102 -21.756  21.665   0.535
  813    H    GLY 103           H        GLY 103 -18.795  23.949   1.316
  814   1HA   GLY 103          2HA       GLY 103 -17.981  24.446   3.460
  815   2HA   GLY 103          1HA       GLY 103 -17.684  22.721   3.674
  816    H    THR 104           H        THR 104 -19.348  25.203   5.053
  817    HA   THR 104           HA       THR 104 -21.691  23.480   5.790
  818    HB   THR 104           HB       THR 104 -21.226  24.687   8.100
  819    HG1  THR 104           HG1      THR 104 -19.574  25.996   7.545
  820   1HG2  THR 104          1HG2      THR 104 -19.487  22.446   7.031
  821   2HG2  THR 104          3HG2      THR 104 -19.753  22.806   8.736
  822   3HG2  THR 104          2HG2      THR 104 -21.095  22.260   7.731
  823    HA   PRO 105           HA       PRO 105 -23.209  27.626   4.514
  824   1HB   PRO 105          1HB       PRO 105 -25.584  26.743   3.482
  825   2HB   PRO 105          2HB       PRO 105 -24.073  26.758   2.551
  826   1HG   PRO 105          1HG       PRO 105 -25.431  24.492   3.919
  827   2HG   PRO 105          2HG       PRO 105 -24.571  24.526   2.372
  828   1HD   PRO 105          1HD       PRO 105 -23.495  23.545   4.682
  829   2HD   PRO 105          2HD       PRO 105 -22.528  24.223   3.353
  830    H    LYS 106           H        LYS 106 -25.299  28.775   5.259
  831    HA   LYS 106           HA       LYS 106 -26.558  27.411   7.612
  832   1HB   LYS 106          1HB       LYS 106 -24.638  28.942   8.206
  833   2HB   LYS 106          2HB       LYS 106 -25.557  30.274   7.504
  834   1HG   LYS 106          1HG       LYS 106 -27.104  30.293   9.210
  835   2HG   LYS 106          2HG       LYS 106 -26.949  28.561   9.510
  836   1HD   LYS 106          1HD       LYS 106 -25.893  29.488  11.386
  837   2HD   LYS 106          2HD       LYS 106 -24.534  29.174  10.305
  838   1HE   LYS 106          1HE       LYS 106 -24.105  31.393  10.907
  839   2HE   LYS 106          2HE       LYS 106 -25.096  31.643   9.455
  840   1HZ   LYS 106          3HZ       LYS 106 -26.178  31.428  12.214
  841   2HZ   LYS 106          2HZ       LYS 106 -25.918  32.897  11.402
  842   3HZ   LYS 106          1HZ       LYS 106 -27.056  31.783  10.808
  843    H    LYS 107           H        LYS 107 -28.663  27.209   6.689
  844    HA   LYS 107           HA       LYS 107 -29.940  29.778   5.802
  845   1HB   LYS 107          1HB       LYS 107 -29.894  27.000   4.654
  846   2HB   LYS 107          2HB       LYS 107 -31.299  28.027   4.365
  847   1HG   LYS 107          1HG       LYS 107 -29.642  29.829   3.610
  848   2HG   LYS 107          2HG       LYS 107 -28.424  28.554   3.593
  849   1HD   LYS 107          1HD       LYS 107 -29.217  28.514   1.388
  850   2HD   LYS 107          2HD       LYS 107 -30.175  27.247   2.156
  851   1HE   LYS 107          1HE       LYS 107 -32.092  28.667   2.342
  852   2HE   LYS 107          2HE       LYS 107 -31.141  30.115   1.957
  853   1HZ   LYS 107          3HZ       LYS 107 -30.617  29.132  -0.205
  854   2HZ   LYS 107          2HZ       LYS 107 -31.600  27.795   0.156
  855   3HZ   LYS 107          1HZ       LYS 107 -32.289  29.338  -0.012
  856    H    LYS 108           H        LYS 108 -32.506  29.417   5.874
  857    HA   LYS 108           HA       LYS 108 -33.146  27.998   8.443
  858   1HB   LYS 108          1HB       LYS 108 -33.192  30.639   8.033
  859   2HB   LYS 108          2HB       LYS 108 -34.777  30.260   7.359
  860   1HG   LYS 108          1HG       LYS 108 -35.474  29.207   9.427
  861   2HG   LYS 108          2HG       LYS 108 -33.852  29.369  10.104
  862   1HD   LYS 108          1HD       LYS 108 -35.025  31.189  11.043
  863   2HD   LYS 108          2HD       LYS 108 -34.157  31.911   9.687
  864   1HE   LYS 108          1HE       LYS 108 -36.803  30.828   8.948
  865   2HE   LYS 108          2HE       LYS 108 -36.865  32.178  10.097
  866   1HZ   LYS 108          3HZ       LYS 108 -35.150  32.196   7.677
  867   2HZ   LYS 108          2HZ       LYS 108 -36.723  32.836   7.692
  868   3HZ   LYS 108          1HZ       LYS 108 -35.523  33.502   8.693
  869    H    ALA 109           H        ALA 109 -33.657  26.027   7.068
  870    HA   ALA 109           HA       ALA 109 -36.290  26.334   5.653
  871   1HB   ALA 109          3HB       ALA 109 -34.176  24.248   5.092
  872   2HB   ALA 109          1HB       ALA 109 -34.121  25.840   4.336
  873   3HB   ALA 109          2HB       ALA 109 -35.494  24.772   4.044
  874    H    VAL 110           H        VAL 110 -37.688  24.335   5.789
  875    HA   VAL 110           HA       VAL 110 -37.072  22.689   8.226
  876    HB   VAL 110           HB       VAL 110 -39.719  23.804   7.231
  877   1HG1  VAL 110          1HG1      VAL 110 -39.001  22.146   9.667
  878   2HG1  VAL 110          3HG1      VAL 110 -40.552  22.957   9.445
  879   3HG1  VAL 110          2HG1      VAL 110 -40.063  21.671   8.341
  880   1HG2  VAL 110          1HG2      VAL 110 -38.195  25.499   8.228
  881   2HG2  VAL 110          3HG2      VAL 110 -39.614  25.219   9.237
  882   3HG2  VAL 110          2HG2      VAL 110 -38.064  24.505   9.678
  883    H    VAL 111           H        VAL 111 -36.753  20.561   7.546
  884    HA   VAL 111           HA       VAL 111 -38.385  19.591   5.218
  885    HB   VAL 111           HB       VAL 111 -35.652  18.738   6.240
  886   1HG1  VAL 111          1HG1      VAL 111 -37.361  17.154   4.879
  887   2HG1  VAL 111          3HG1      VAL 111 -36.644  18.025   3.524
  888   3HG1  VAL 111          2HG1      VAL 111 -35.618  17.104   4.624
  889   1HG2  VAL 111          1HG2      VAL 111 -36.516  20.427   3.873
  890   2HG2  VAL 111          3HG2      VAL 111 -35.511  20.934   5.230
  891   3HG2  VAL 111          2HG2      VAL 111 -34.891  19.768   4.062
  892    H    GLN 112           H        GLN 112 -39.743  17.826   5.648
  893    HA   GLN 112           HA       GLN 112 -39.326  16.387   8.252
  894   1HB   GLN 112          1HB       GLN 112 -41.336  18.069   7.712
  895   2HB   GLN 112          2HB       GLN 112 -42.008  16.628   6.948
  896   1HG   GLN 112          1HG       GLN 112 -42.195  15.485   8.946
  897   2HG   GLN 112          2HG       GLN 112 -40.837  16.336   9.682
  898   1HE2  GLN 112          1HE2      GLN 112 -41.949  17.161  11.574
  899   2HE2  GLN 112          2HE2      GLN 112 -43.244  18.252  11.459
  900    H    ALA 113           H        ALA 113 -38.534  14.337   7.672
  901    HA   ALA 113           HA       ALA 113 -39.855  12.975   5.343
  902   1HB   ALA 113          3HB       ALA 113 -37.756  12.182   4.733
  903   2HB   ALA 113          1HB       ALA 113 -37.146  12.230   6.388
  904   3HB   ALA 113          2HB       ALA 113 -37.303  13.723   5.462
  905    H    LYS 114           H        LYS 114 -41.231  11.363   6.125
  906    HA   LYS 114           HA       LYS 114 -40.329   9.842   8.554
  907   1HB   LYS 114          1HB       LYS 114 -42.454  11.504   8.382
  908   2HB   LYS 114          2HB       LYS 114 -43.207  10.015   7.808
  909   1HG   LYS 114          1HG       LYS 114 -42.872   8.905   9.825
  910   2HG   LYS 114          2HG       LYS 114 -41.505   9.925  10.277
  911   1HD   LYS 114          1HD       LYS 114 -42.853  11.616  11.082
  912   2HD   LYS 114          2HD       LYS 114 -44.171  11.236   9.972
  913   1HE   LYS 114          1HE       LYS 114 -44.541   9.098  11.302
  914   2HE   LYS 114          2HE       LYS 114 -43.412   9.751  12.506
  915   1HZ   LYS 114          2HZ       LYS 114 -45.824  11.156  11.482
  916   2HZ   LYS 114          1HZ       LYS 114 -45.715  10.385  12.992
  917   3HZ   LYS 114          3HZ       LYS 114 -44.751  11.742  12.661
  918    H    LEU 115           H        LEU 115 -40.453   7.545   8.389
  919    HA   LEU 115           HA       LEU 115 -41.508   6.464   5.794
  920   1HB   LEU 115          1HB       LEU 115 -38.927   6.162   7.257
  921   2HB   LEU 115          2HB       LEU 115 -39.557   4.726   6.449
  922    HG   LEU 115           HG       LEU 115 -39.398   7.378   5.019
  923   1HD1  LEU 115          1HD1      LEU 115 -37.145   6.596   5.995
  924   2HD1  LEU 115          3HD1      LEU 115 -37.269   5.240   4.875
  925   3HD1  LEU 115          2HD1      LEU 115 -37.204   6.891   4.258
  926   1HD2  LEU 115          2HD2      LEU 115 -39.441   4.473   4.136
  927   2HD2  LEU 115          1HD2      LEU 115 -40.770   5.625   3.999
  928   3HD2  LEU 115          3HD2      LEU 115 -39.304   5.854   3.045
  929    H    THR 116           H        THR 116 -42.570   4.373   5.958
  930    HA   THR 116           HA       THR 116 -43.157   3.506   8.773
  931    HB   THR 116           HB       THR 116 -44.987   2.971   6.463
  932    HG1  THR 116           HG1      THR 116 -45.728   5.015   6.462
  933   1HG2  THR 116          2HG2      THR 116 -45.442   2.159   8.778
  934   2HG2  THR 116          1HG2      THR 116 -45.475   3.835   9.326
  935   3HG2  THR 116          3HG2      THR 116 -46.687   3.256   8.183
  936    H    THR 117           H        THR 117 -42.715   1.324   9.226
  937    HA   THR 117           HA       THR 117 -41.996  -0.421   6.889
  938    HB   THR 117           HB       THR 117 -41.016  -0.453   9.764
  939    HG1  THR 117           HG1      THR 117 -40.144   1.305   8.820
  940   1HG2  THR 117          1HG2      THR 117 -40.169  -1.977   7.288
  941   2HG2  THR 117          3HG2      THR 117 -39.260  -1.960   8.800
  942   3HG2  THR 117          2HG2      THR 117 -40.881  -2.653   8.753

  No H/Q in entry =         942
  Start of MODEL   20
    1    H1   MET   1           H        MET   1 -15.433 -12.337 -13.422
    2    H2   MET   1           HN2      MET   1 -17.079 -12.730 -13.566
    3    HA   MET   1           HA       MET   1 -16.279 -13.220 -11.326
    4   1HB   MET   1          1HB       MET   1 -17.866 -14.648 -13.005
    5   2HB   MET   1          2HB       MET   1 -16.669 -15.878 -12.597
    6   1HG   MET   1          1HG       MET   1 -17.808 -14.229 -10.376
    7   2HG   MET   1          2HG       MET   1 -18.815 -15.501 -11.069
    8   1HE   MET   1          2HE       MET   1 -18.643 -16.062  -8.387
    9   2HE   MET   1          1HE       MET   1 -19.019 -17.377  -9.497
   10   3HE   MET   1          3HE       MET   1 -17.874 -17.632  -8.174
   11    H    ALA   2           H        ALA   2 -14.005 -13.002 -10.831
   12    HA   ALA   2           HA       ALA   2 -12.376 -15.452 -11.411
   13   1HB   ALA   2          3HB       ALA   2 -11.133 -12.728 -11.298
   14   2HB   ALA   2          2HB       ALA   2 -10.647 -14.137 -12.239
   15   3HB   ALA   2          1HB       ALA   2 -12.032 -13.172 -12.749
   16    H    GLU   3           H        GLU   3 -10.083 -14.735  -9.957
   17    HA   GLU   3           HA       GLU   3 -11.166 -14.327  -7.184
   18   1HB   GLU   3          1HB       GLU   3  -9.371 -16.319  -8.465
   19   2HB   GLU   3          2HB       GLU   3  -8.896 -15.780  -6.853
   20   1HG   GLU   3          1HG       GLU   3 -10.996 -16.455  -5.912
   21   2HG   GLU   3          2HG       GLU   3 -11.695 -16.726  -7.508
   22    H    GLN   4           H        GLN   4 -10.559 -12.152  -6.762
   23    HA   GLN   4           HA       GLN   4  -7.691 -11.438  -7.301
   24   1HB   GLN   4          1HB       GLN   4 -10.318 -10.019  -7.496
   25   2HB   GLN   4          2HB       GLN   4  -8.905  -9.063  -7.044
   26   1HG   GLN   4          1HG       GLN   4  -7.712  -9.999  -9.048
   27   2HG   GLN   4          2HG       GLN   4  -9.225 -10.765  -9.532
   28   1HE2  GLN   4          1HE2      GLN   4  -7.404  -7.888  -9.879
   29   2HE2  GLN   4          2HE2      GLN   4  -8.659  -6.888 -10.434
   30    H    ARG   5           H        ARG   5  -6.470 -10.687  -5.511
   31    HA   ARG   5           HA       ARG   5  -7.929 -10.107  -2.969
   32   1HB   ARG   5          1HB       ARG   5  -7.101 -12.559  -3.328
   33   2HB   ARG   5          2HB       ARG   5  -5.495 -11.884  -3.050
   34   1HG   ARG   5          1HG       ARG   5  -5.986 -11.273  -0.847
   35   2HG   ARG   5          2HG       ARG   5  -7.726 -11.256  -1.137
   36   1HD   ARG   5          1HD       ARG   5  -7.905 -13.590  -0.997
   37   2HD   ARG   5          2HD       ARG   5  -6.193 -13.840  -1.391
   38    HE   ARG   5           HE       ARG   5  -5.635 -13.355   0.873
   39   1HH1  ARG   5          1HH1      ARG   5  -6.302 -11.526   2.420
   40   2HH1  ARG   5          2HH1      ARG   5  -7.900 -11.723   3.060
   41   1HH2  ARG   5          1HH2      ARG   5  -8.835 -14.092   0.708
   42   2HH2  ARG   5          2HH2      ARG   5  -9.334 -13.175   2.090
   43    H    PHE   6           H        PHE   6  -6.820  -8.564  -1.646
   44    HA   PHE   6           HA       PHE   6  -4.287  -7.456  -2.821
   45   1HB   PHE   6          1HB       PHE   6  -6.842  -6.323  -1.881
   46   2HB   PHE   6          2HB       PHE   6  -5.423  -5.482  -1.258
   47    HD1  PHE   6           HD1      PHE   6  -7.220  -6.509  -4.327
   48    HD2  PHE   6           HD2      PHE   6  -3.974  -4.208  -2.712
   49    HE1  PHE   6           HE1      PHE   6  -6.966  -5.341  -6.500
   50    HE2  PHE   6           HE2      PHE   6  -3.721  -3.040  -4.881
   51    HZ   PHE   6           HZ       PHE   6  -5.217  -3.603  -6.777
   52    H    CYS   7           H        CYS   7  -2.534  -7.158  -1.376
   53    HA   CYS   7           HA       CYS   7  -3.044  -7.745   1.524
   54   1HB   CYS   7          1HB       CYS   7  -2.092  -9.678   0.237
   55   2HB   CYS   7          2HB       CYS   7  -0.716  -8.664  -0.201
   56    HG   CYS   7           HG       CYS   7  -1.149  -9.988   2.516
   57    H    VAL   8           H        VAL   8  -2.278  -6.018   2.779
   58    HA   VAL   8           HA       VAL   8  -0.339  -4.153   1.478
   59    HB   VAL   8           HB       VAL   8  -1.193  -2.485   3.019
   60   1HG1  VAL   8          2HG1      VAL   8  -2.683  -3.647   1.044
   61   2HG1  VAL   8          1HG1      VAL   8  -3.787  -3.755   2.415
   62   3HG1  VAL   8          3HG1      VAL   8  -3.150  -2.187   1.916
   63   1HG2  VAL   8          3HG2      VAL   8  -1.411  -4.003   5.006
   64   2HG2  VAL   8          2HG2      VAL   8  -2.817  -2.973   4.760
   65   3HG2  VAL   8          1HG2      VAL   8  -2.879  -4.668   4.292
   66    H    ASP   9           H        ASP   9   1.736  -3.902   2.316
   67    HA   ASP   9           HA       ASP   9   2.290  -4.996   5.042
   68   1HB   ASP   9          1HB       ASP   9   3.341  -5.856   2.372
   69   2HB   ASP   9          2HB       ASP   9   4.434  -5.918   3.755
   70    H    TYR  10           H        TYR  10   3.004  -3.091   6.037
   71    HA   TYR  10           HA       TYR  10   4.195  -0.823   4.834
   72   1HB   TYR  10          1HB       TYR  10   3.963  -1.964   7.532
   73   2HB   TYR  10          2HB       TYR  10   5.446  -1.039   7.331
   74    HD1  TYR  10           HD1      TYR  10   5.018   1.195   5.806
   75    HD2  TYR  10           HD2      TYR  10   2.144  -0.746   8.349
   76    HE1  TYR  10           HE1      TYR  10   3.745   3.312   5.977
   77    HE2  TYR  10           HE2      TYR  10   0.870   1.379   8.520
   78    HH   TYR  10           HH       TYR  10   2.066   4.321   7.779
   79    H    ALA  11           H        ALA  11   6.468  -0.100   4.734
   80    HA   ALA  11           HA       ALA  11   8.257  -2.290   3.857
   81   1HB   ALA  11          2HB       ALA  11   9.175   0.546   4.123
   82   2HB   ALA  11          3HB       ALA  11   7.872   0.219   2.981
   83   3HB   ALA  11          1HB       ALA  11   9.427  -0.592   2.801
   84    H    LYS  12           H        LYS  12  10.099  -3.035   4.996
   85    HA   LYS  12           HA       LYS  12  10.629  -1.746   7.657
   86   1HB   LYS  12          1HB       LYS  12  10.507  -4.669   6.848
   87   2HB   LYS  12          2HB       LYS  12  11.047  -4.105   8.430
   88   1HG   LYS  12          1HG       LYS  12   8.405  -3.141   7.400
   89   2HG   LYS  12          2HG       LYS  12   8.514  -4.785   8.031
   90   1HD   LYS  12          1HD       LYS  12   9.666  -3.754  10.080
   91   2HD   LYS  12          2HD       LYS  12   9.104  -2.197   9.473
   92   1HE   LYS  12          1HE       LYS  12   7.253  -2.710  10.750
   93   2HE   LYS  12          2HE       LYS  12   6.795  -3.637   9.306
   94   1HZ   LYS  12          3HZ       LYS  12   8.007  -5.542  10.208
   95   2HZ   LYS  12          2HZ       LYS  12   8.366  -4.660  11.615
   96   3HZ   LYS  12          1HZ       LYS  12   6.756  -5.063  11.249
   97    H    ARG  13           H        ARG  13  12.101  -4.182   5.403
   98    HA   ARG  13           HA       ARG  13  14.635  -2.614   5.475
   99   1HB   ARG  13          1HB       ARG  13  14.044  -4.999   6.987
  100   2HB   ARG  13          2HB       ARG  13  15.286  -5.379   5.794
  101   1HG   ARG  13          1HG       ARG  13  16.607  -4.583   7.526
  102   2HG   ARG  13          2HG       ARG  13  16.327  -3.089   6.630
  103   1HD   ARG  13          1HD       ARG  13  14.927  -2.223   8.247
  104   2HD   ARG  13          2HD       ARG  13  14.301  -3.821   8.703
  105    HE   ARG  13           HE       ARG  13  16.283  -4.181  10.041
  106   1HH1  ARG  13          1HH1      ARG  13  16.688  -2.439  11.767
  107   2HH1  ARG  13          2HH1      ARG  13  17.740  -1.173  11.225
  108   1HH2  ARG  13          1HH2      ARG  13  17.437  -1.995   7.870
  109   2HH2  ARG  13          2HH2      ARG  13  18.163  -0.922   9.020
  110    H    GLY  14           H        GLY  14  15.798  -2.804   3.507
  111   1HA   GLY  14          2HA       GLY  14  14.878  -4.905   1.595
  112   2HA   GLY  14          1HA       GLY  14  16.453  -4.113   1.538
  113    H    THR  15           H        THR  15  16.151  -3.358  -0.659
  114    HA   THR  15           HA       THR  15  14.115  -1.167  -0.914
  115    HB   THR  15           HB       THR  15  16.696  -1.456  -2.459
  116    HG1  THR  15           HG1      THR  15  17.740  -0.435  -0.850
  117   1HG2  THR  15          3HG2      THR  15  14.644   0.653  -1.970
  118   2HG2  THR  15          2HG2      THR  15  16.320   1.171  -2.148
  119   3HG2  THR  15          1HG2      THR  15  15.533   0.271  -3.443
  120    H    ALA  16           H        ALA  16  12.561  -1.510  -2.531
  121    HA   ALA  16           HA       ALA  16  13.290  -3.323  -4.791
  122   1HB   ALA  16          3HB       ALA  16  10.862  -4.219  -4.435
  123   2HB   ALA  16          1HB       ALA  16  11.002  -3.500  -2.831
  124   3HB   ALA  16          2HB       ALA  16  12.118  -4.771  -3.328
  125    H    GLY  17           H        GLY  17  12.667  -2.474  -6.777
  126   1HA   GLY  17          2HA       GLY  17  11.603  -1.061  -8.321
  127   2HA   GLY  17          1HA       GLY  17  11.477   0.109  -7.002
  128    H    CYS  18           H        CYS  18   9.333   0.678  -6.690
  129    HA   CYS  18           HA       CYS  18   7.376  -1.314  -6.007
  130   1HB   CYS  18          1HB       CYS  18   5.842   0.554  -5.861
  131   2HB   CYS  18          2HB       CYS  18   7.406   1.056  -5.252
  132    H    LYS  19           H        LYS  19   6.138  -2.607  -7.276
  133    HA   LYS  19           HA       LYS  19   6.285  -2.425 -10.193
  134   1HB   LYS  19          1HB       LYS  19   4.899  -4.157  -8.163
  135   2HB   LYS  19          2HB       LYS  19   4.358  -4.225  -9.839
  136   1HG   LYS  19          1HG       LYS  19   6.022  -5.755 -10.089
  137   2HG   LYS  19          2HG       LYS  19   7.079  -4.345 -10.154
  138   1HD   LYS  19          1HD       LYS  19   6.957  -4.602  -7.495
  139   2HD   LYS  19          2HD       LYS  19   6.634  -6.281  -7.925
  140   1HE   LYS  19          1HE       LYS  19   8.703  -5.992  -9.526
  141   2HE   LYS  19          2HE       LYS  19   9.105  -4.645  -8.442
  142   1HZ   LYS  19          1HZ       LYS  19   8.802  -6.150  -6.553
  143   2HZ   LYS  19          3HZ       LYS  19   8.510  -7.438  -7.617
  144   3HZ   LYS  19          2HZ       LYS  19  10.037  -6.693  -7.586
  145    H    LYS  20           H        LYS  20   4.359  -2.037 -11.613
  146    HA   LYS  20           HA       LYS  20   2.426  -0.847 -12.237
  147   1HB   LYS  20          1HB       LYS  20   1.790  -2.181  -9.915
  148   2HB   LYS  20          2HB       LYS  20   1.441  -0.511  -9.465
  149   1HG   LYS  20          1HG       LYS  20  -0.585  -1.226 -10.415
  150   2HG   LYS  20          2HG       LYS  20   0.204  -0.400 -11.760
  151   1HD   LYS  20          1HD       LYS  20   1.221  -2.819 -12.193
  152   2HD   LYS  20          2HD       LYS  20  -0.228  -3.328 -11.325
  153   1HE   LYS  20          1HE       LYS  20  -0.669  -1.265 -13.415
  154   2HE   LYS  20          2HE       LYS  20  -0.211  -2.875 -14.004
  155   1HZ   LYS  20          2HZ       LYS  20  -1.888  -3.788 -12.420
  156   2HZ   LYS  20          1HZ       LYS  20  -2.431  -2.200 -12.151
  157   3HZ   LYS  20          3HZ       LYS  20  -2.555  -2.887 -13.697
  158    H    CYS  21           H        CYS  21   4.995   0.552 -10.914
  159    HA   CYS  21           HA       CYS  21   4.181   3.219 -11.449
  160   1HB   CYS  21          1HB       CYS  21   4.269   4.084  -9.075
  161   2HB   CYS  21          2HB       CYS  21   2.838   3.159  -9.480
  162    H    LYS  22           H        LYS  22   5.994   4.750 -11.249
  163    HA   LYS  22           HA       LYS  22   8.610   3.342 -11.194
  164   1HB   LYS  22          1HB       LYS  22   7.553   5.993 -12.117
  165   2HB   LYS  22          2HB       LYS  22   9.288   5.820 -11.854
  166   1HG   LYS  22          1HG       LYS  22   8.723   3.523 -13.247
  167   2HG   LYS  22          2HG       LYS  22   7.580   4.658 -13.965
  168   1HD   LYS  22          1HD       LYS  22  10.528   5.261 -13.620
  169   2HD   LYS  22          2HD       LYS  22   9.839   4.590 -15.099
  170   1HE   LYS  22          1HE       LYS  22   8.164   6.636 -14.877
  171   2HE   LYS  22          2HE       LYS  22   9.496   7.331 -13.930
  172   1HZ   LYS  22          3HZ       LYS  22  11.000   6.622 -15.768
  173   2HZ   LYS  22          2HZ       LYS  22   9.625   6.243 -16.690
  174   3HZ   LYS  22          1HZ       LYS  22   9.909   7.846 -16.202
  175    H    GLU  23           H        GLU  23   8.992   2.964  -8.929
  176    HA   GLU  23           HA       GLU  23  10.222   5.184  -7.515
  177   1HB   GLU  23          1HB       GLU  23   7.532   5.201  -7.318
  178   2HB   GLU  23          2HB       GLU  23   7.905   4.118  -5.987
  179   1HG   GLU  23          1HG       GLU  23   8.846   5.741  -4.727
  180   2HG   GLU  23          2HG       GLU  23   9.604   6.522  -6.116
  181    H    LYS  24           H        LYS  24  10.459   4.257  -4.955
  182    HA   LYS  24           HA       LYS  24  11.111   1.329  -5.116
  183   1HB   LYS  24          1HB       LYS  24  12.904   3.652  -4.330
  184   2HB   LYS  24          2HB       LYS  24  13.307   1.962  -4.025
  185   1HG   LYS  24          1HG       LYS  24  12.887   1.604  -6.549
  186   2HG   LYS  24          2HG       LYS  24  12.986   3.360  -6.680
  187   1HD   LYS  24          1HD       LYS  24  15.136   1.887  -5.194
  188   2HD   LYS  24          2HD       LYS  24  15.164   1.898  -6.958
  189   1HE   LYS  24          1HE       LYS  24  15.230   4.322  -7.012
  190   2HE   LYS  24          2HE       LYS  24  14.977   4.410  -5.258
  191   1HZ   LYS  24          2HZ       LYS  24  17.008   3.023  -5.010
  192   2HZ   LYS  24          1HZ       LYS  24  17.292   3.203  -6.676
  193   3HZ   LYS  24          3HZ       LYS  24  17.313   4.562  -5.661
  194    H    ILE  25           H        ILE  25  11.005   0.278  -3.031
  195    HA   ILE  25           HA       ILE  25   9.796   1.964  -0.855
  196    HB   ILE  25           HB       ILE  25   9.607  -1.013  -1.443
  197   1HG1  ILE  25          1HG1      ILE  25   7.203   0.712  -1.616
  198   2HG1  ILE  25          2HG1      ILE  25   8.409   1.000  -2.867
  199   1HG2  ILE  25          2HG2      ILE  25   9.256   0.180   0.977
  200   2HG2  ILE  25          1HG2      ILE  25   7.635   0.346   0.306
  201   3HG2  ILE  25          3HG2      ILE  25   8.366  -1.253   0.460
  202   1HD1  ILE  25          1HD1      ILE  25   8.374  -1.712  -2.871
  203   2HD1  ILE  25          3HD1      ILE  25   6.706  -1.382  -2.396
  204   3HD1  ILE  25          2HD1      ILE  25   7.338  -0.730  -3.908
  205    H    VAL  26           H        VAL  26  10.997   2.117   1.074
  206    HA   VAL  26           HA       VAL  26  12.850  -0.063   1.804
  207    HB   VAL  26           HB       VAL  26  14.115   1.298   0.191
  208   1HG1  VAL  26          1HG1      VAL  26  12.704   3.416   0.945
  209   2HG1  VAL  26          3HG1      VAL  26  14.062   3.648   2.046
  210   3HG1  VAL  26          2HG1      VAL  26  14.335   3.601   0.305
  211   1HG2  VAL  26          1HG2      VAL  26  15.197   0.318   2.286
  212   2HG2  VAL  26          3HG2      VAL  26  16.073   1.646   1.524
  213   3HG2  VAL  26          2HG2      VAL  26  15.115   1.940   2.975
  214    H    LYS  27           H        LYS  27  11.356  -0.115   3.664
  215    HA   LYS  27           HA       LYS  27  10.679   0.463   5.849
  216   1HB   LYS  27          1HB       LYS  27  13.245   0.098   5.794
  217   2HB   LYS  27          2HB       LYS  27  13.351   1.849   5.972
  218   1HG   LYS  27          1HG       LYS  27  11.513   0.394   7.818
  219   2HG   LYS  27          2HG       LYS  27  13.247   0.229   8.100
  220   1HD   LYS  27          1HD       LYS  27  13.199   2.868   7.764
  221   2HD   LYS  27          2HD       LYS  27  11.522   2.666   8.274
  222   1HE   LYS  27          1HE       LYS  27  12.791   1.105  10.123
  223   2HE   LYS  27          2HE       LYS  27  14.008   2.368   9.853
  224   1HZ   LYS  27          1HZ       LYS  27  12.192   4.019  10.053
  225   2HZ   LYS  27          3HZ       LYS  27  11.139   2.769  10.508
  226   3HZ   LYS  27          2HZ       LYS  27  12.470   3.157  11.490
  227    H    GLY  28           H        GLY  28   8.984   2.043   5.740
  228   1HA   GLY  28          2HA       GLY  28   9.865   4.883   5.485
  229   2HA   GLY  28          1HA       GLY  28   8.912   4.396   6.880
  230    H    VAL  29           H        VAL  29   8.109   2.910   3.762
  231    HA   VAL  29           HA       VAL  29   5.709   4.703   3.681
  232    HB   VAL  29           HB       VAL  29   7.401   5.182   1.935
  233   1HG1  VAL  29          3HG1      VAL  29   6.907   2.288   1.179
  234   2HG1  VAL  29          2HG1      VAL  29   7.681   3.456   0.111
  235   3HG1  VAL  29          1HG1      VAL  29   8.442   3.024   1.640
  236   1HG2  VAL  29          3HG2      VAL  29   4.862   3.882   0.906
  237   2HG2  VAL  29          2HG2      VAL  29   5.016   5.548   1.464
  238   3HG2  VAL  29          1HG2      VAL  29   5.860   5.025   0.007
  239    H    CYS  30           H        CYS  30   3.700   3.688   3.409
  240    HA   CYS  30           HA       CYS  30   3.618   0.760   3.756
  241   1HB   CYS  30          1HB       CYS  30   2.002   2.864   4.485
  242   2HB   CYS  30          2HB       CYS  30   1.129   2.230   3.092
  243    HG   CYS  30           HG       CYS  30   0.402   0.930   5.299
  244    H    ARG  31           H        ARG  31   3.011  -0.776   2.158
  245    HA   ARG  31           HA       ARG  31   2.440   0.325  -0.576
  246   1HB   ARG  31          1HB       ARG  31   3.904  -1.497  -1.436
  247   2HB   ARG  31          2HB       ARG  31   4.783  -0.398  -0.374
  248   1HG   ARG  31          1HG       ARG  31   4.692  -1.949   1.452
  249   2HG   ARG  31          2HG       ARG  31   3.532  -2.974   0.609
  250   1HD   ARG  31          1HD       ARG  31   5.161  -4.015  -0.605
  251   2HD   ARG  31          2HD       ARG  31   6.049  -2.502  -0.875
  252    HE   ARG  31           HE       ARG  31   6.940  -2.719   1.437
  253   1HH1  ARG  31          1HH1      ARG  31   6.871  -5.379  -0.482
  254   2HH1  ARG  31          2HH1      ARG  31   6.923  -6.558   0.787
  255   1HH2  ARG  31          1HH2      ARG  31   6.347  -4.254   3.313
  256   2HH2  ARG  31          2HH2      ARG  31   6.626  -5.921   2.935
  257    H    ILE  32           H        ILE  32   0.859  -0.855  -1.775
  258    HA   ILE  32           HA       ILE  32  -0.511  -3.047  -0.246
  259    HB   ILE  32           HB       ILE  32  -1.675  -1.427  -2.531
  260   1HG1  ILE  32          1HG1      ILE  32  -1.862  -0.695   0.416
  261   2HG1  ILE  32          2HG1      ILE  32  -0.840   0.152  -0.744
  262   1HG2  ILE  32          2HG2      ILE  32  -2.622  -3.602  -1.179
  263   2HG2  ILE  32          1HG2      ILE  32  -3.328  -2.283  -0.245
  264   3HG2  ILE  32          3HG2      ILE  32  -3.639  -2.400  -1.975
  265   1HD1  ILE  32          3HD1      ILE  32  -3.786  -0.216  -1.266
  266   2HD1  ILE  32          2HD1      ILE  32  -3.203   1.122  -0.276
  267   3HD1  ILE  32          1HD1      ILE  32  -2.686   0.978  -1.956
  268    H    GLY  33           H        GLY  33  -0.337  -5.105  -1.180
  269   1HA   GLY  33          2HA       GLY  33   0.834  -6.496  -2.833
  270   2HA   GLY  33          1HA       GLY  33   0.564  -5.222  -4.023
  271    H    LYS  34           H        LYS  34  -0.500  -6.813  -5.456
  272    HA   LYS  34           HA       LYS  34  -3.191  -7.687  -4.457
  273   1HB   LYS  34          1HB       LYS  34  -4.024  -7.143  -6.747
  274   2HB   LYS  34          2HB       LYS  34  -3.416  -5.730  -5.898
  275   1HG   LYS  34          1HG       LYS  34  -1.406  -5.700  -7.165
  276   2HG   LYS  34          2HG       LYS  34  -1.671  -7.333  -7.769
  277   1HD   LYS  34          1HD       LYS  34  -3.397  -6.651  -9.221
  278   2HD   LYS  34          2HD       LYS  34  -3.634  -5.127  -8.366
  279   1HE   LYS  34          1HE       LYS  34  -2.380  -4.317 -10.131
  280   2HE   LYS  34          2HE       LYS  34  -1.034  -4.838  -9.097
  281   1HZ   LYS  34          2HZ       LYS  34  -1.260  -7.072 -10.137
  282   2HZ   LYS  34          1HZ       LYS  34  -2.354  -6.402 -11.250
  283   3HZ   LYS  34          3HZ       LYS  34  -0.746  -5.865 -11.216
  284    H    VAL  35           H        VAL  35  -3.810  -9.818  -5.152
  285    HA   VAL  35           HA       VAL  35  -1.651 -11.322  -6.598
  286    HB   VAL  35           HB       VAL  35  -3.898 -12.252  -4.767
  287   1HG1  VAL  35          1HG1      VAL  35  -3.172 -13.949  -6.434
  288   2HG1  VAL  35          3HG1      VAL  35  -1.508 -13.754  -5.883
  289   3HG1  VAL  35          2HG1      VAL  35  -2.727 -14.409  -4.790
  290   1HG2  VAL  35          3HG2      VAL  35  -0.923 -11.862  -4.309
  291   2HG2  VAL  35          2HG2      VAL  35  -2.233 -10.973  -3.532
  292   3HG2  VAL  35          1HG2      VAL  35  -2.000 -12.686  -3.181
  293    H    VAL  36           H        VAL  36  -2.200 -11.424  -8.798
  294    HA   VAL  36           HA       VAL  36  -5.075 -11.964  -9.472
  295    HB   VAL  36           HB       VAL  36  -2.836 -10.660 -11.060
  296   1HG1  VAL  36          3HG1      VAL  36  -5.756 -11.178 -11.675
  297   2HG1  VAL  36          2HG1      VAL  36  -4.787  -9.996 -12.556
  298   3HG1  VAL  36          1HG1      VAL  36  -4.351 -11.705 -12.601
  299   1HG2  VAL  36          2HG2      VAL  36  -3.705  -9.323  -9.130
  300   2HG2  VAL  36          1HG2      VAL  36  -4.069  -8.583 -10.689
  301   3HG2  VAL  36          3HG2      VAL  36  -5.327  -9.454  -9.811
  302    HA   PRO  37           HA       PRO  37  -3.113 -15.856 -10.728
  303   1HB   PRO  37          1HB       PRO  37  -5.431 -17.218 -11.240
  304   2HB   PRO  37          2HB       PRO  37  -4.777 -17.006  -9.603
  305   1HG   PRO  37          1HG       PRO  37  -6.976 -15.537 -10.967
  306   2HG   PRO  37          2HG       PRO  37  -6.846 -16.066  -9.282
  307   1HD   PRO  37          1HD       PRO  37  -6.405 -13.500 -10.090
  308   2HD   PRO  37          2HD       PRO  37  -5.637 -14.225  -8.660
  309    H    ASN  38           H        ASN  38  -2.772 -16.815 -12.835
  310    HA   ASN  38           HA       ASN  38  -3.926 -15.214 -15.090
  311   1HB   ASN  38          1HB       ASN  38  -1.396 -16.675 -14.513
  312   2HB   ASN  38          2HB       ASN  38  -1.944 -16.704 -16.188
  313   1HD2  ASN  38          2HD2      ASN  38  -2.041 -14.109 -13.636
  314   2HD2  ASN  38          1HD2      ASN  38  -1.287 -12.946 -14.614
  315    HA   PRO  39           HA       PRO  39  -6.246 -18.659 -16.549
  316   1HB   PRO  39          1HB       PRO  39  -5.944 -18.517 -19.266
  317   2HB   PRO  39          2HB       PRO  39  -6.944 -17.376 -18.344
  318   1HG   PRO  39          1HG       PRO  39  -4.187 -17.038 -19.415
  319   2HG   PRO  39          2HG       PRO  39  -5.521 -15.875 -19.342
  320   1HD   PRO  39          1HD       PRO  39  -3.432 -15.870 -17.594
  321   2HD   PRO  39          2HD       PRO  39  -5.056 -15.276 -17.182
  322    H    PHE  40           H        PHE  40  -5.956 -20.900 -17.177
  323    HA   PHE  40           HA       PHE  40  -4.720 -22.880 -17.494
  324   1HB   PHE  40          1HB       PHE  40  -4.474 -21.315 -19.671
  325   2HB   PHE  40          2HB       PHE  40  -2.777 -21.390 -19.198
  326    HD1  PHE  40           HD1      PHE  40  -2.262 -23.979 -18.206
  327    HD2  PHE  40           HD2      PHE  40  -4.976 -22.858 -21.340
  328    HE1  PHE  40           HE1      PHE  40  -2.094 -26.259 -19.167
  329    HE2  PHE  40           HE2      PHE  40  -4.808 -25.138 -22.301
  330    HZ   PHE  40           HZ       PHE  40  -3.366 -26.838 -21.216
  331    H    SER  41           H        SER  41  -3.745 -23.214 -15.410
  332    HA   SER  41           HA       SER  41  -0.911 -22.258 -15.191
  333   1HB   SER  41          1HB       SER  41  -2.700 -22.537 -12.796
  334   2HB   SER  41          2HB       SER  41  -1.313 -21.479 -13.029
  335    HG   SER  41           HG       SER  41  -3.968 -21.193 -13.888
  336    H    GLU  42           H        GLU  42   0.444 -24.042 -14.974
  337    HA   GLU  42           HA       GLU  42  -0.774 -26.615 -14.042
  338   1HB   GLU  42          1HB       GLU  42   0.459 -26.309 -16.277
  339   2HB   GLU  42          2HB       GLU  42   1.935 -26.174 -15.320
  340   1HG   GLU  42          1HG       GLU  42   1.033 -28.397 -14.201
  341   2HG   GLU  42          2HG       GLU  42   0.145 -28.545 -15.719
  342    H    SER  43           H        SER  43   2.194 -24.609 -13.528
  343    HA   SER  43           HA       SER  43   2.874 -26.218 -11.126
  344   1HB   SER  43          1HB       SER  43   4.526 -25.292 -12.849
  345   2HB   SER  43          2HB       SER  43   4.207 -23.701 -12.166
  346    HG   SER  43           HG       SER  43   5.321 -25.987 -10.918
  347    H    GLY  44           H        GLY  44   1.906 -22.815 -11.854
  348   1HA   GLY  44          2HA       GLY  44   2.046 -21.469  -9.539
  349   2HA   GLY  44          1HA       GLY  44   0.801 -22.641  -9.108
  350    H    GLY  45           H        GLY  45   1.443 -19.655 -10.765
  351   1HA   GLY  45          2HA       GLY  45  -1.331 -19.667 -11.880
  352   2HA   GLY  45          1HA       GLY  45  -0.015 -18.671 -12.504
  353    H    ASP  46           H        ASP  46   1.036 -17.382 -10.368
  354    HA   ASP  46           HA       ASP  46  -1.266 -15.784  -9.350
  355   1HB   ASP  46          1HB       ASP  46   0.681 -17.458  -7.809
  356   2HB   ASP  46          2HB       ASP  46   0.143 -15.940  -7.090
  357    H    MET  47           H        MET  47  -0.750 -13.585  -9.524
  358    HA   MET  47           HA       MET  47   2.160 -12.884  -9.773
  359   1HB   MET  47          1HB       MET  47  -0.363 -12.014 -11.150
  360   2HB   MET  47          2HB       MET  47   0.989 -10.885 -11.051
  361   1HG   MET  47          1HG       MET  47   2.460 -12.724 -11.990
  362   2HG   MET  47          2HG       MET  47   0.988 -13.647 -12.293
  363   1HE   MET  47          3HE       MET  47   1.415 -14.009 -14.429
  364   2HE   MET  47          2HE       MET  47   1.102 -12.945 -15.797
  365   3HE   MET  47          1HE       MET  47   2.702 -12.973 -15.061
  366    H    LYS  48           H        LYS  48   2.929 -11.490  -8.178
  367    HA   LYS  48           HA       LYS  48   0.917  -9.826  -6.692
  368   1HB   LYS  48          1HB       LYS  48   1.730 -11.808  -5.431
  369   2HB   LYS  48          2HB       LYS  48   3.391 -11.257  -5.659
  370   1HG   LYS  48          1HG       LYS  48   2.782  -9.122  -4.491
  371   2HG   LYS  48          2HG       LYS  48   1.195  -9.813  -4.147
  372   1HD   LYS  48          1HD       LYS  48   3.583 -11.445  -3.417
  373   2HD   LYS  48          2HD       LYS  48   3.233 -10.032  -2.420
  374   1HE   LYS  48          1HE       LYS  48   0.878 -10.868  -2.148
  375   2HE   LYS  48          2HE       LYS  48   1.355 -12.347  -3.004
  376   1HZ   LYS  48          1HZ       LYS  48   3.190 -12.583  -1.390
  377   2HZ   LYS  48          3HZ       LYS  48   2.574 -11.263  -0.520
  378   3HZ   LYS  48          2HZ       LYS  48   1.659 -12.689  -0.660
  379    H    GLU  49           H        GLU  49   1.403  -7.630  -6.957
  380    HA   GLU  49           HA       GLU  49   4.262  -6.911  -7.541
  381   1HB   GLU  49          1HB       GLU  49   1.583  -5.998  -8.548
  382   2HB   GLU  49          2HB       GLU  49   2.937  -4.870  -8.581
  383   1HG   GLU  49          1HG       GLU  49   4.273  -6.663  -9.774
  384   2HG   GLU  49          2HG       GLU  49   2.773  -7.578  -9.922
  385    H    TRP  50           H        TRP  50   5.173  -5.190  -6.297
  386    HA   TRP  50           HA       TRP  50   3.544  -4.305  -3.948
  387   1HB   TRP  50          1HB       TRP  50   6.488  -4.265  -4.653
  388   2HB   TRP  50          2HB       TRP  50   5.855  -3.449  -3.230
  389    HD1  TRP  50           HD1      TRP  50   7.655  -6.326  -3.839
  390    HE1  TRP  50           HE1      TRP  50   7.080  -8.281  -2.271
  391    HE3  TRP  50           HE3      TRP  50   3.114  -4.742  -2.062
  392    HZ2  TRP  50           HZ2      TRP  50   4.979  -9.079  -0.500
  393    HZ3  TRP  50           HZ3      TRP  50   1.864  -6.121  -0.432
  394    HH2  TRP  50           HH2      TRP  50   2.786  -8.286   0.348
  395    H    TYR  51           H        TYR  51   2.458  -2.320  -4.298
  396    HA   TYR  51           HA       TYR  51   4.070  -0.203  -5.662
  397   1HB   TYR  51          1HB       TYR  51   1.588   0.694  -6.161
  398   2HB   TYR  51          2HB       TYR  51   2.456  -0.336  -7.270
  399    HD1  TYR  51           HD1      TYR  51  -0.316  -0.064  -4.942
  400    HD2  TYR  51           HD2      TYR  51   1.914  -2.742  -7.443
  401    HE1  TYR  51           HE1      TYR  51  -2.188  -1.697  -4.865
  402    HE2  TYR  51           HE2      TYR  51   0.058  -4.384  -7.349
  403    HH   TYR  51           HH       TYR  51  -2.783  -3.878  -6.816
  404    H    HIS  52           H        HIS  52   3.052   2.070  -5.086
  405    HA   HIS  52           HA       HIS  52   2.931   2.157  -2.110
  406   1HB   HIS  52          1HB       HIS  52   3.216   4.215  -4.314
  407   2HB   HIS  52          2HB       HIS  52   3.214   4.627  -2.602
  408    HD2  HIS  52           HD2      HIS  52   5.437   3.427  -1.119
  409    HE1  HIS  52           HE1      HIS  52   7.814   2.890  -4.568
  410    HE2  HIS  52           HE2      HIS  52   7.792   2.936  -2.060
  411    H    ILE  53           H        ILE  53   1.427   4.310  -1.480
  412    HA   ILE  53           HA       ILE  53  -1.326   3.454  -2.156
  413    HB   ILE  53           HB       ILE  53  -0.396   5.835  -0.508
  414   1HG1  ILE  53          1HG1      ILE  53   0.602   3.720   0.369
  415   2HG1  ILE  53          2HG1      ILE  53  -0.597   4.386   1.469
  416   1HG2  ILE  53          3HG2      ILE  53  -2.794   5.694  -1.290
  417   2HG2  ILE  53          2HG2      ILE  53  -2.950   4.212  -0.353
  418   3HG2  ILE  53          1HG2      ILE  53  -2.598   5.732   0.461
  419   1HD1  ILE  53          3HD1      ILE  53  -1.890   2.637  -0.423
  420   2HD1  ILE  53          2HD1      ILE  53  -0.553   1.789   0.361
  421   3HD1  ILE  53          1HD1      ILE  53  -1.830   2.520   1.335
  422    H    LYS  54           H        LYS  54   0.519   6.563  -2.339
  423    HA   LYS  54           HA       LYS  54  -1.354   7.931  -4.023
  424   1HB   LYS  54          1HB       LYS  54   0.675   8.863  -2.761
  425   2HB   LYS  54          2HB       LYS  54   1.660   8.261  -4.095
  426   1HG   LYS  54          1HG       LYS  54  -0.214   9.575  -5.514
  427   2HG   LYS  54          2HG       LYS  54  -0.260  10.534  -4.033
  428   1HD   LYS  54          1HD       LYS  54   1.436  11.627  -5.177
  429   2HD   LYS  54          2HD       LYS  54   2.378  10.436  -4.279
  430   1HE   LYS  54          1HE       LYS  54   2.553   8.994  -6.193
  431   2HE   LYS  54          2HE       LYS  54   1.341   9.934  -7.088
  432   1HZ   LYS  54          2HZ       LYS  54   2.806  11.883  -6.875
  433   2HZ   LYS  54          1HZ       LYS  54   3.993  10.901  -6.156
  434   3HZ   LYS  54          3HZ       LYS  54   3.532  10.630  -7.765
  435    H    CYS  55           H        CYS  55   1.383   5.772  -4.850
  436    HA   CYS  55           HA       CYS  55   1.307   6.135  -7.699
  437   1HB   CYS  55          1HB       CYS  55   2.078   3.835  -5.885
  438   2HB   CYS  55          2HB       CYS  55   2.187   3.682  -7.629
  439    H    MET  56           H        MET  56  -0.304   3.656  -5.655
  440    HA   MET  56           HA       MET  56  -1.854   2.535  -7.843
  441   1HB   MET  56          1HB       MET  56  -1.282   1.487  -5.577
  442   2HB   MET  56          2HB       MET  56  -2.565   2.483  -4.900
  443   1HG   MET  56          1HG       MET  56  -3.504   0.315  -5.432
  444   2HG   MET  56          2HG       MET  56  -4.139   1.484  -6.588
  445   1HE   MET  56          1HE       MET  56  -4.733   0.485  -8.538
  446   2HE   MET  56          3HE       MET  56  -3.490   1.592  -9.140
  447   3HE   MET  56          2HE       MET  56  -3.604  -0.045  -9.782
  448    H    PHE  57           H        PHE  57  -2.636   4.890  -5.246
  449    HA   PHE  57           HA       PHE  57  -5.361   5.315  -6.076
  450   1HB   PHE  57          1HB       PHE  57  -3.360   6.720  -4.363
  451   2HB   PHE  57          2HB       PHE  57  -4.747   7.664  -4.903
  452    HD1  PHE  57           HD1      PHE  57  -3.710   4.632  -3.024
  453    HD2  PHE  57           HD2      PHE  57  -6.974   7.208  -4.099
  454    HE1  PHE  57           HE1      PHE  57  -5.134   3.531  -1.324
  455    HE2  PHE  57           HE2      PHE  57  -8.399   6.109  -2.395
  456    HZ   PHE  57           HZ       PHE  57  -7.480   4.271  -1.008
  457    H    GLU  58           H        GLU  58  -2.281   6.677  -7.276
  458    HA   GLU  58           HA       GLU  58  -3.472   8.853  -8.780
  459   1HB   GLU  58          1HB       GLU  58  -1.034   8.621  -8.254
  460   2HB   GLU  58          2HB       GLU  58  -0.955   7.246  -9.357
  461   1HG   GLU  58          1HG       GLU  58  -2.118   9.790 -10.402
  462   2HG   GLU  58          2HG       GLU  58  -0.370   9.723 -10.174
  463    H    LYS  59           H        LYS  59  -2.724   5.446  -9.610
  464    HA   LYS  59           HA       LYS  59  -3.617   5.625 -12.365
  465   1HB   LYS  59          1HB       LYS  59  -3.438   3.306 -10.405
  466   2HB   LYS  59          2HB       LYS  59  -3.787   3.107 -12.122
  467   1HG   LYS  59          1HG       LYS  59  -1.328   4.548 -11.101
  468   2HG   LYS  59          2HG       LYS  59  -1.343   2.825 -11.478
  469   1HD   LYS  59          1HD       LYS  59  -2.238   3.470 -13.780
  470   2HD   LYS  59          2HD       LYS  59  -1.835   5.136 -13.366
  471   1HE   LYS  59          1HE       LYS  59   0.217   2.927 -13.121
  472   2HE   LYS  59          2HE       LYS  59  -0.029   3.807 -14.643
  473   1HZ   LYS  59          3HZ       LYS  59   0.214   5.892 -13.408
  474   2HZ   LYS  59          2HZ       LYS  59   0.541   5.018 -11.988
  475   3HZ   LYS  59          1HZ       LYS  59   1.615   4.942 -13.304
  476    H    LEU  60           H        LEU  60  -5.290   4.768  -9.308
  477    HA   LEU  60           HA       LEU  60  -7.831   4.028 -10.390
  478   1HB   LEU  60          1HB       LEU  60  -6.799   5.135  -7.816
  479   2HB   LEU  60          2HB       LEU  60  -8.531   5.306  -8.093
  480    HG   LEU  60           HG       LEU  60  -8.657   2.861  -8.586
  481   1HD1  LEU  60          2HD1      LEU  60  -6.216   2.697  -9.249
  482   2HD1  LEU  60          1HD1      LEU  60  -5.816   2.781  -7.533
  483   3HD1  LEU  60          3HD1      LEU  60  -6.765   1.430  -8.152
  484   1HD2  LEU  60          1HD2      LEU  60  -7.797   4.010  -5.971
  485   2HD2  LEU  60          3HD2      LEU  60  -9.294   3.180  -6.396
  486   3HD2  LEU  60          2HD2      LEU  60  -7.825   2.250  -6.099
  487    H    GLU  61           H        GLU  61  -6.504   7.285  -9.639
  488    HA   GLU  61           HA       GLU  61  -8.831   8.838 -10.225
  489   1HB   GLU  61          1HB       GLU  61  -6.702   9.710  -9.258
  490   2HB   GLU  61          2HB       GLU  61  -5.914   9.474 -10.817
  491   1HG   GLU  61          1HG       GLU  61  -7.558  11.028 -11.855
  492   2HG   GLU  61          2HG       GLU  61  -8.268  11.307 -10.264
  493    H    ARG  62           H        ARG  62  -6.453   7.320 -12.418
  494    HA   ARG  62           HA       ARG  62  -7.946   8.417 -14.770
  495   1HB   ARG  62          1HB       ARG  62  -5.177   7.388 -14.218
  496   2HB   ARG  62          2HB       ARG  62  -5.804   7.278 -15.866
  497   1HG   ARG  62          1HG       ARG  62  -6.431   9.757 -15.624
  498   2HG   ARG  62          2HG       ARG  62  -5.405   9.761 -14.189
  499   1HD   ARG  62          1HD       ARG  62  -3.489   9.720 -15.426
  500   2HD   ARG  62          2HD       ARG  62  -4.143   8.516 -16.554
  501    HE   ARG  62           HE       ARG  62  -4.680  11.451 -16.704
  502   1HH1  ARG  62          1HH1      ARG  62  -3.164   9.533 -18.676
  503   2HH1  ARG  62          2HH1      ARG  62  -4.327   9.468 -19.959
  504   1HH2  ARG  62          1HH2      ARG  62  -6.893  10.824 -18.061
  505   2HH2  ARG  62          2HH2      ARG  62  -6.437  10.198 -19.610
  506    H    ALA  63           H        ALA  63  -8.949   6.100 -13.045
  507    HA   ALA  63           HA       ALA  63  -8.747   3.883 -15.056
  508   1HB   ALA  63          3HB       ALA  63  -7.997   3.062 -12.996
  509   2HB   ALA  63          1HB       ALA  63  -9.708   2.641 -12.932
  510   3HB   ALA  63          2HB       ALA  63  -9.119   4.066 -12.077
  511    H    ARG  64           H        ARG  64 -10.878   2.538 -15.168
  512    HA   ARG  64           HA       ARG  64 -13.128   4.434 -15.577
  513   1HB   ARG  64          1HB       ARG  64 -12.385   1.672 -16.421
  514   2HB   ARG  64          2HB       ARG  64 -14.110   2.015 -16.296
  515   1HG   ARG  64          1HG       ARG  64 -13.322   4.243 -17.593
  516   2HG   ARG  64          2HG       ARG  64 -12.093   3.122 -18.179
  517   1HD   ARG  64          1HD       ARG  64 -13.613   1.877 -19.377
  518   2HD   ARG  64          2HD       ARG  64 -14.902   2.119 -18.180
  519    HE   ARG  64           HE       ARG  64 -15.023   4.509 -19.050
  520   1HH1  ARG  64          1HH1      ARG  64 -15.946   2.304 -21.027
  521   2HH1  ARG  64          2HH1      ARG  64 -15.258   2.906 -22.498
  522   1HH2  ARG  64          1HH2      ARG  64 -13.146   5.148 -20.905
  523   2HH2  ARG  64          2HH2      ARG  64 -13.672   4.516 -22.430
  524    H    ALA  65           H        ALA  65 -15.289   4.028 -14.629
  525    HA   ALA  65           HA       ALA  65 -15.151   3.268 -11.810
  526   1HB   ALA  65          3HB       ALA  65 -17.297   4.139 -13.735
  527   2HB   ALA  65          2HB       ALA  65 -17.746   3.546 -12.136
  528   3HB   ALA  65          1HB       ALA  65 -16.705   4.961 -12.292
  529    H    THR  66           H        THR  66 -16.319   1.624 -14.773
  530    HA   THR  66           HA       THR  66 -17.838  -0.483 -13.678
  531    HB   THR  66           HB       THR  66 -15.868  -1.250 -15.767
  532    HG1  THR  66           HG1      THR  66 -16.567   0.237 -17.210
  533   1HG2  THR  66          3HG2      THR  66 -18.260  -2.207 -14.983
  534   2HG2  THR  66          2HG2      THR  66 -18.800  -1.083 -16.230
  535   3HG2  THR  66          1HG2      THR  66 -17.668  -2.372 -16.636
  536    H    THR  67           H        THR  67 -14.257  -0.202 -13.751
  537    HA   THR  67           HA       THR  67 -14.110  -2.742 -12.157
  538    HB   THR  67           HB       THR  67 -11.854  -1.354 -13.612
  539    HG1  THR  67           HG1      THR  67 -13.689  -3.256 -14.695
  540   1HG2  THR  67          3HG2      THR  67 -12.393  -4.105 -12.523
  541   2HG2  THR  67          2HG2      THR  67 -11.212  -3.877 -13.813
  542   3HG2  THR  67          1HG2      THR  67 -10.994  -3.063 -12.264
  543    H    LYS  68           H        LYS  68 -13.830  -2.309  -9.962
  544    HA   LYS  68           HA       LYS  68 -12.271   0.149  -9.219
  545   1HB   LYS  68          1HB       LYS  68 -14.851  -0.398  -8.675
  546   2HB   LYS  68          2HB       LYS  68 -14.103  -1.234  -7.313
  547   1HG   LYS  68          1HG       LYS  68 -12.737   0.972  -7.023
  548   2HG   LYS  68          2HG       LYS  68 -14.010   1.693  -8.009
  549   1HD   LYS  68          1HD       LYS  68 -15.704   0.785  -6.413
  550   2HD   LYS  68          2HD       LYS  68 -14.387   0.199  -5.397
  551   1HE   LYS  68          1HE       LYS  68 -13.560   2.721  -5.579
  552   2HE   LYS  68          2HE       LYS  68 -15.282   3.016  -5.891
  553   1HZ   LYS  68          2HZ       LYS  68 -14.206   1.413  -3.630
  554   2HZ   LYS  68          1HZ       LYS  68 -14.778   3.009  -3.503
  555   3HZ   LYS  68          3HZ       LYS  68 -15.844   1.757  -3.925
  556    H    LYS  69           H        LYS  69 -10.576  -0.115  -7.658
  557    HA   LYS  69           HA       LYS  69 -10.052  -2.938  -6.774
  558   1HB   LYS  69          1HB       LYS  69  -8.438  -0.909  -8.218
  559   2HB   LYS  69          2HB       LYS  69  -7.588  -1.787  -6.948
  560   1HG   LYS  69          1HG       LYS  69  -7.322  -3.489  -8.401
  561   2HG   LYS  69          2HG       LYS  69  -9.062  -3.755  -8.319
  562   1HD   LYS  69          1HD       LYS  69  -8.935  -3.372 -10.571
  563   2HD   LYS  69          2HD       LYS  69  -9.000  -1.685 -10.064
  564   1HE   LYS  69          1HE       LYS  69  -6.315  -2.198  -9.824
  565   2HE   LYS  69          2HE       LYS  69  -6.745  -3.202 -11.224
  566   1HZ   LYS  69          1HZ       LYS  69  -7.572  -0.370 -10.877
  567   2HZ   LYS  69          3HZ       LYS  69  -6.253  -0.864 -11.822
  568   3HZ   LYS  69          2HZ       LYS  69  -7.827  -1.344 -12.245
  569    H    ILE  70           H        ILE  70  -8.932  -3.105  -4.667
  570    HA   ILE  70           HA       ILE  70  -8.620  -2.485  -2.416
  571    HB   ILE  70           HB       ILE  70  -8.004   0.150  -3.800
  572   1HG1  ILE  70          1HG1      ILE  70  -6.156  -2.120  -2.996
  573   2HG1  ILE  70          2HG1      ILE  70  -6.734  -1.846  -4.640
  574   1HG2  ILE  70          2HG2      ILE  70  -7.723  -0.835  -1.004
  575   2HG2  ILE  70          1HG2      ILE  70  -6.355   0.064  -1.663
  576   3HG2  ILE  70          3HG2      ILE  70  -7.952   0.809  -1.599
  577   1HD1  ILE  70          1HD1      ILE  70  -5.507   0.481  -3.246
  578   2HD1  ILE  70          3HD1      ILE  70  -4.417  -0.812  -3.747
  579   3HD1  ILE  70          2HD1      ILE  70  -5.418   0.013  -4.943
  580    H    GLU  71           H        GLU  71 -10.742  -2.594  -1.501
  581    HA   GLU  71           HA       GLU  71 -12.382  -0.084  -1.672
  582   1HB   GLU  71          1HB       GLU  71 -12.913  -2.999  -1.637
  583   2HB   GLU  71          2HB       GLU  71 -14.010  -2.037  -0.646
  584   1HG   GLU  71          1HG       GLU  71 -13.383  -1.114  -3.430
  585   2HG   GLU  71          2HG       GLU  71 -14.540  -2.426  -3.203
  586    H    ASP  72           H        ASP  72 -12.672   1.075   0.255
  587    HA   ASP  72           HA       ASP  72 -12.408   1.648   2.529
  588   1HB   ASP  72          1HB       ASP  72 -14.027  -0.542   2.238
  589   2HB   ASP  72          2HB       ASP  72 -12.821  -1.163   3.365
  590    H    LEU  73           H        LEU  73 -11.360   0.222   4.735
  591    HA   LEU  73           HA       LEU  73  -8.536  -0.257   3.836
  592   1HB   LEU  73          1HB       LEU  73  -8.906   1.756   5.189
  593   2HB   LEU  73          2HB       LEU  73  -9.716   0.798   6.428
  594    HG   LEU  73           HG       LEU  73  -7.575  -0.530   6.668
  595   1HD1  LEU  73          3HD1      LEU  73  -6.814   1.373   4.530
  596   2HD1  LEU  73          2HD1      LEU  73  -5.618   1.166   5.810
  597   3HD1  LEU  73          1HD1      LEU  73  -6.177  -0.230   4.891
  598   1HD2  LEU  73          2HD2      LEU  73  -8.359   1.786   7.873
  599   2HD2  LEU  73          1HD2      LEU  73  -6.908   0.895   8.327
  600   3HD2  LEU  73          3HD2      LEU  73  -6.788   2.275   7.236
  601    H    THR  74           H        THR  74 -10.788  -1.188   6.520
  602    HA   THR  74           HA       THR  74  -9.351  -3.437   7.475
  603    HB   THR  74           HB       THR  74 -11.903  -4.245   7.856
  604    HG1  THR  74           HG1      THR  74 -13.287  -2.575   7.676
  605   1HG2  THR  74          1HG2      THR  74 -10.297  -2.061   9.156
  606   2HG2  THR  74          3HG2      THR  74 -11.905  -2.459   9.761
  607   3HG2  THR  74          2HG2      THR  74 -10.639  -3.687   9.748
  608    H    GLU  75           H        GLU  75 -11.590  -3.267   4.675
  609    HA   GLU  75           HA       GLU  75 -11.932  -6.006   4.091
  610   1HB   GLU  75          1HB       GLU  75 -11.757  -3.486   2.496
  611   2HB   GLU  75          2HB       GLU  75 -11.710  -5.008   1.603
  612   1HG   GLU  75          1HG       GLU  75 -13.785  -4.719   3.732
  613   2HG   GLU  75          2HG       GLU  75 -14.026  -3.828   2.229
  614    H    LEU  76           H        LEU  76  -8.983  -4.043   3.577
  615    HA   LEU  76           HA       LEU  76  -7.690  -6.228   2.046
  616   1HB   LEU  76          1HB       LEU  76  -6.696  -3.550   3.082
  617   2HB   LEU  76          2HB       LEU  76  -5.765  -4.624   2.039
  618    HG   LEU  76           HG       LEU  76  -8.448  -3.384   1.351
  619   1HD1  LEU  76          3HD1      LEU  76  -5.619  -2.615   0.874
  620   2HD1  LEU  76          2HD1      LEU  76  -6.700  -2.479  -0.512
  621   3HD1  LEU  76          1HD1      LEU  76  -7.058  -1.603   0.977
  622   1HD2  LEU  76          3HD2      LEU  76  -6.826  -5.552   0.156
  623   2HD2  LEU  76          2HD2      LEU  76  -8.541  -5.197  -0.035
  624   3HD2  LEU  76          1HD2      LEU  76  -7.349  -4.315  -0.988
  625    H    GLU  77           H        GLU  77  -5.805  -7.404   2.829
  626    HA   GLU  77           HA       GLU  77  -5.804  -7.727   5.798
  627   1HB   GLU  77          1HB       GLU  77  -6.071  -9.676   4.257
  628   2HB   GLU  77          2HB       GLU  77  -4.470  -9.339   3.594
  629   1HG   GLU  77          1HG       GLU  77  -3.434  -9.724   5.758
  630   2HG   GLU  77          2HG       GLU  77  -5.014  -9.903   6.524
  631    H    GLY  78           H        GLY  78  -4.005  -7.158   7.074
  632   1HA   GLY  78          2HA       GLY  78  -1.736  -5.870   5.633
  633   2HA   GLY  78          1HA       GLY  78  -1.400  -7.095   6.856
  634    H    TRP  79           H        TRP  79  -3.763  -4.364   6.772
  635    HA   TRP  79           HA       TRP  79  -2.454  -2.578   8.523
  636   1HB   TRP  79          1HB       TRP  79  -4.740  -1.751   9.051
  637   2HB   TRP  79          2HB       TRP  79  -4.548  -2.075   7.330
  638    HD1  TRP  79           HD1      TRP  79  -6.087  -3.849   6.255
  639    HE1  TRP  79           HE1      TRP  79  -7.973  -5.369   7.137
  640    HE3  TRP  79           HE3      TRP  79  -5.513  -3.145  11.280
  641    HZ2  TRP  79           HZ2      TRP  79  -9.092  -6.178   9.641
  642    HZ3  TRP  79           HZ3      TRP  79  -7.002  -4.300  12.889
  643    HH2  TRP  79           HH2      TRP  79  -8.790  -5.813  12.077
  644    H    GLU  80           H        GLU  80  -4.225  -5.555   9.394
  645    HA   GLU  80           HA       GLU  80  -4.577  -5.156  12.175
  646   1HB   GLU  80          1HB       GLU  80  -5.201  -7.143  10.611
  647   2HB   GLU  80          2HB       GLU  80  -3.608  -7.776  11.028
  648   1HG   GLU  80          1HG       GLU  80  -5.479  -6.863  13.200
  649   2HG   GLU  80          2HG       GLU  80  -5.662  -8.468  12.492
  650    H    GLU  81           H        GLU  81  -1.520  -5.822  10.441
  651    HA   GLU  81           HA       GLU  81  -0.148  -6.058  13.095
  652   1HB   GLU  81          1HB       GLU  81  -0.066  -7.821  11.177
  653   2HB   GLU  81          2HB       GLU  81   1.055  -6.694  10.410
  654   1HG   GLU  81          1HG       GLU  81   2.596  -6.835  12.226
  655   2HG   GLU  81          2HG       GLU  81   1.413  -7.639  13.260
  656    H    LEU  82           H        LEU  82  -0.902  -3.408  11.565
  657    HA   LEU  82           HA       LEU  82   1.886  -2.358  11.282
  658   1HB   LEU  82          1HB       LEU  82  -0.746  -1.238  10.251
  659   2HB   LEU  82          2HB       LEU  82   0.864  -0.673   9.827
  660    HG   LEU  82           HG       LEU  82  -0.417  -3.321   9.101
  661   1HD1  LEU  82          3HD1      LEU  82   0.183  -0.787   7.724
  662   2HD1  LEU  82          2HD1      LEU  82   0.698  -2.223   6.837
  663   3HD1  LEU  82          1HD1      LEU  82  -0.987  -2.041   7.317
  664   1HD2  LEU  82          2HD2      LEU  82   2.476  -2.515   9.161
  665   2HD2  LEU  82          1HD2      LEU  82   1.747  -4.083   9.502
  666   3HD2  LEU  82          3HD2      LEU  82   1.911  -3.531   7.836
  667    H    GLU  83           H        GLU  83   1.308   0.395  11.631
  668    HA   GLU  83           HA       GLU  83   0.873   0.468  14.566
  669   1HB   GLU  83          1HB       GLU  83   2.544   1.784  12.816
  670   2HB   GLU  83          2HB       GLU  83   1.293   2.996  13.092
  671   1HG   GLU  83          1HG       GLU  83   1.601   2.395  15.611
  672   2HG   GLU  83          2HG       GLU  83   3.137   1.704  15.090
  673    H    ASP  84           H        ASP  84  -0.634   2.138  15.523
  674    HA   ASP  84           HA       ASP  84  -3.251   2.041  14.204
  675   1HB   ASP  84          1HB       ASP  84  -2.127   3.181  16.754
  676   2HB   ASP  84          2HB       ASP  84  -3.759   3.621  16.248
  677    H    ASN  85           H        ASN  85  -0.996   4.716  15.051
  678    HA   ASN  85           HA       ASN  85  -2.537   6.803  13.800
  679   1HB   ASN  85          1HB       ASN  85   0.468   6.546  14.204
  680   2HB   ASN  85          2HB       ASN  85  -0.378   8.052  13.845
  681   1HD2  ASN  85          2HD2      ASN  85  -0.967   9.259  15.691
  682   2HD2  ASN  85          1HD2      ASN  85  -1.175   8.598  17.241
  683    H    GLU  86           H        GLU  86   0.071   4.702  12.530
  684    HA   GLU  86           HA       GLU  86   0.202   5.878   9.901
  685   1HB   GLU  86          1HB       GLU  86   0.921   3.241  11.148
  686   2HB   GLU  86          2HB       GLU  86   0.968   3.380   9.391
  687   1HG   GLU  86          1HG       GLU  86   2.398   5.457   9.705
  688   2HG   GLU  86          2HG       GLU  86   2.511   5.023  11.411
  689    H    LYS  87           H        LYS  87  -1.820   3.238  11.231
  690    HA   LYS  87           HA       LYS  87  -3.081   2.440   8.787
  691   1HB   LYS  87          1HB       LYS  87  -3.234   1.238  10.967
  692   2HB   LYS  87          2HB       LYS  87  -4.246   2.541  11.593
  693   1HG   LYS  87          1HG       LYS  87  -5.095   1.316   9.018
  694   2HG   LYS  87          2HG       LYS  87  -5.281   0.324  10.465
  695   1HD   LYS  87          1HD       LYS  87  -6.253   2.682  11.389
  696   2HD   LYS  87          2HD       LYS  87  -6.696   2.814   9.687
  697   1HE   LYS  87          1HE       LYS  87  -8.280   1.178   9.856
  698   2HE   LYS  87          2HE       LYS  87  -7.252   0.167  10.890
  699   1HZ   LYS  87          2HZ       LYS  87  -8.526   2.695  11.788
  700   2HZ   LYS  87          1HZ       LYS  87  -9.191   1.157  12.068
  701   3HZ   LYS  87          3HZ       LYS  87  -7.694   1.568  12.750
  702    H    GLU  88           H        GLU  88  -3.924   5.060  11.082
  703    HA   GLU  88           HA       GLU  88  -6.416   5.844   9.909
  704   1HB   GLU  88          1HB       GLU  88  -5.045   6.650  12.049
  705   2HB   GLU  88          2HB       GLU  88  -4.494   7.907  10.942
  706   1HG   GLU  88          1HG       GLU  88  -6.834   8.494  10.432
  707   2HG   GLU  88          2HG       GLU  88  -7.392   7.233  11.532
  708    H    GLN  89           H        GLN  89  -3.058   6.783   9.042
  709    HA   GLN  89           HA       GLN  89  -3.712   8.781   7.099
  710   1HB   GLN  89          1HB       GLN  89  -1.399   6.971   7.663
  711   2HB   GLN  89          2HB       GLN  89  -1.429   7.777   6.094
  712   1HG   GLN  89          1HG       GLN  89  -2.052   9.883   7.634
  713   2HG   GLN  89          2HG       GLN  89  -1.143   8.947   8.822
  714   1HE2  GLN  89          1HE2      GLN  89   1.007   7.897   7.592
  715   2HE2  GLN  89          2HE2      GLN  89   1.897   9.059   6.735
  716    H    ILE  90           H        ILE  90  -3.576   5.221   6.781
  717    HA   ILE  90           HA       ILE  90  -3.895   5.228   3.880
  718    HB   ILE  90           HB       ILE  90  -4.536   3.098   5.961
  719   1HG1  ILE  90          1HG1      ILE  90  -2.172   3.798   6.023
  720   2HG1  ILE  90          2HG1      ILE  90  -2.314   2.183   5.339
  721   1HG2  ILE  90          2HG2      ILE  90  -5.620   2.751   3.731
  722   2HG2  ILE  90          1HG2      ILE  90  -4.021   2.801   2.987
  723   3HG2  ILE  90          3HG2      ILE  90  -4.427   1.510   4.119
  724   1HD1  ILE  90          3HD1      ILE  90  -2.529   3.750   3.093
  725   2HD1  ILE  90          2HD1      ILE  90  -1.399   4.683   4.073
  726   3HD1  ILE  90          1HD1      ILE  90  -1.030   3.009   3.655
  727    H    THR  91           H        THR  91  -6.200   5.074   6.638
  728    HA   THR  91           HA       THR  91  -8.560   4.611   5.042
  729    HB   THR  91           HB       THR  91  -8.721   6.329   7.483
  730    HG1  THR  91           HG1      THR  91  -8.072   4.690   8.803
  731   1HG2  THR  91          3HG2      THR  91 -10.166   4.005   6.260
  732   2HG2  THR  91          2HG2      THR  91 -10.330   4.299   7.991
  733   3HG2  THR  91          1HG2      THR  91 -10.811   5.542   6.837
  734    H    GLN  92           H        GLN  92  -6.872   7.622   6.001
  735    HA   GLN  92           HA       GLN  92  -8.788   9.508   5.027
  736   1HB   GLN  92          1HB       GLN  92  -5.764   9.525   5.217
  737   2HB   GLN  92          2HB       GLN  92  -6.668  10.938   4.670
  738   1HG   GLN  92          1HG       GLN  92  -8.074  10.334   6.903
  739   2HG   GLN  92          2HG       GLN  92  -6.482   9.743   7.382
  740   1HE2  GLN  92          1HE2      GLN  92  -4.631  11.378   7.236
  741   2HE2  GLN  92          2HE2      GLN  92  -5.001  13.026   7.396
  742    H    HIS  93           H        HIS  93  -6.288   7.637   3.259
  743    HA   HIS  93           HA       HIS  93  -6.389   8.977   0.747
  744   1HB   HIS  93          1HB       HIS  93  -5.694   6.265   1.742
  745   2HB   HIS  93          2HB       HIS  93  -6.117   6.338   0.034
  746    HD1  HIS  93           HD1      HIS  93  -4.464   7.430  -1.547
  747    HD2  HIS  93           HD2      HIS  93  -3.378   7.849   2.454
  748    HE1  HIS  93           HE1      HIS  93  -2.074   8.256  -1.536
  749    H    ILE  94           H        ILE  94  -8.426   6.205   1.863
  750    HA   ILE  94           HA       ILE  94 -10.083   6.197  -0.520
  751    HB   ILE  94           HB       ILE  94 -10.471   5.154   2.309
  752   1HG1  ILE  94          1HG1      ILE  94 -10.388   3.014   0.585
  753   2HG1  ILE  94          2HG1      ILE  94  -9.316   4.153  -0.225
  754   1HG2  ILE  94          1HG2      ILE  94 -12.308   5.031  -0.079
  755   2HG2  ILE  94          3HG2      ILE  94 -12.291   3.718   1.100
  756   3HG2  ILE  94          2HG2      ILE  94 -12.710   5.353   1.607
  757   1HD1  ILE  94          1HD1      ILE  94  -8.729   4.190   2.588
  758   2HD1  ILE  94          3HD1      ILE  94  -8.744   2.517   2.031
  759   3HD1  ILE  94          2HD1      ILE  94  -7.686   3.696   1.252
  760    H    ALA  95           H        ALA  95 -10.361   7.885   2.626
  761    HA   ALA  95           HA       ALA  95 -12.988   9.003   2.103
  762   1HB   ALA  95          2HB       ALA  95 -12.144  10.697   3.887
  763   2HB   ALA  95          3HB       ALA  95 -10.689   9.704   3.939
  764   3HB   ALA  95          1HB       ALA  95 -12.251   9.002   4.364
  765    H    ASP  96           H        ASP  96  -9.656  10.179   1.480
  766    HA   ASP  96           HA       ASP  96 -10.396  12.802   0.531
  767   1HB   ASP  96          1HB       ASP  96  -8.075  12.024   1.107
  768   2HB   ASP  96          2HB       ASP  96  -8.078  11.044  -0.360
  769    H    LEU  97           H        LEU  97 -10.103   9.645  -1.159
  770    HA   LEU  97           HA       LEU  97 -10.843  10.842  -3.759
  771   1HB   LEU  97          1HB       LEU  97  -9.292   8.889  -3.502
  772   2HB   LEU  97          2HB       LEU  97 -10.642   7.935  -2.885
  773    HG   LEU  97           HG       LEU  97 -11.844   8.637  -5.086
  774   1HD1  LEU  97          1HD1      LEU  97  -8.934   9.201  -5.718
  775   2HD1  LEU  97          3HD1      LEU  97 -10.163   8.940  -6.956
  776   3HD1  LEU  97          2HD1      LEU  97 -10.293  10.314  -5.860
  777   1HD2  LEU  97          3HD2      LEU  97 -10.723   6.367  -4.363
  778   2HD2  LEU  97          2HD2      LEU  97 -11.180   6.612  -6.049
  779   3HD2  LEU  97          1HD2      LEU  97  -9.499   6.814  -5.553
  780    H    SER  98           H        SER  98 -12.467   8.983  -1.156
  781    HA   SER  98           HA       SER  98 -15.019   9.088  -2.717
  782   1HB   SER  98          1HB       SER  98 -14.258   7.589  -0.185
  783   2HB   SER  98          2HB       SER  98 -15.748   7.376  -1.101
  784    HG   SER  98           HG       SER  98 -14.601   6.509  -2.762
  785    H    SER  99           H        SER  99 -14.582  11.615  -1.956
  786    HA   SER  99           HA       SER  99 -15.868  11.982   0.732
  787   1HB   SER  99          1HB       SER  99 -13.542  12.953  -0.042
  788   2HB   SER  99          2HB       SER  99 -14.533  14.143  -0.882
  789    HG   SER  99           HG       SER  99 -14.423  13.550   1.886
  790    H    LYS 100           H        LYS 100 -18.053  11.547  -0.303
  791    HA   LYS 100           HA       LYS 100 -19.047  13.990  -1.735
  792   1HB   LYS 100          1HB       LYS 100 -18.610  11.802  -3.081
  793   2HB   LYS 100          2HB       LYS 100 -20.040  11.187  -2.251
  794   1HG   LYS 100          1HG       LYS 100 -21.242  13.296  -3.047
  795   2HG   LYS 100          2HG       LYS 100 -19.854  13.573  -4.099
  796   1HD   LYS 100          1HD       LYS 100 -21.284  10.919  -4.094
  797   2HD   LYS 100          2HD       LYS 100 -21.871  12.263  -5.074
  798   1HE   LYS 100          1HE       LYS 100 -18.954  11.583  -5.231
  799   2HE   LYS 100          2HE       LYS 100 -20.113  10.547  -6.087
  800   1HZ   LYS 100          2HZ       LYS 100 -21.130  12.614  -6.979
  801   2HZ   LYS 100          1HZ       LYS 100 -19.835  13.495  -6.320
  802   3HZ   LYS 100          3HZ       LYS 100 -19.546  12.343  -7.532
  803    H    ALA 101           H        ALA 101 -20.544  14.949  -0.341
  804    HA   ALA 101           HA       ALA 101 -22.264  15.154   1.260
  805   1HB   ALA 101          1HB       ALA 101 -23.263  13.880  -0.752
  806   2HB   ALA 101          3HB       ALA 101 -23.123  12.437   0.251
  807   3HB   ALA 101          2HB       ALA 101 -24.142  13.779   0.773
  808    H    ALA 102           H        ALA 102 -20.620  14.814   3.054
  809    HA   ALA 102           HA       ALA 102 -20.910  12.118   4.346
  810   1HB   ALA 102          3HB       ALA 102 -18.690  14.023   3.886
  811   2HB   ALA 102          1HB       ALA 102 -18.644  12.269   4.065
  812   3HB   ALA 102          2HB       ALA 102 -18.726  13.299   5.494
  813    H    GLY 103           H        GLY 103 -20.237  15.558   5.283
  814   1HA   GLY 103          2HA       GLY 103 -22.052  15.119   7.624
  815   2HA   GLY 103          1HA       GLY 103 -21.986  16.645   6.742
  816    H    THR 104           H        THR 104 -19.445  17.390   6.541
  817    HA   THR 104           HA       THR 104 -18.454  17.415   9.363
  818    HB   THR 104           HB       THR 104 -16.126  17.238   8.132
  819    HG1  THR 104           HG1      THR 104 -16.737  17.238   6.047
  820   1HG2  THR 104          1HG2      THR 104 -17.449  15.546   9.648
  821   2HG2  THR 104          3HG2      THR 104 -17.713  14.692   8.128
  822   3HG2  THR 104          2HG2      THR 104 -16.071  14.980   8.703
  823    HA   PRO 105           HA       PRO 105 -18.531  21.662   7.642
  824   1HB   PRO 105          1HB       PRO 105 -18.963  22.914  10.038
  825   2HB   PRO 105          2HB       PRO 105 -20.274  22.229   9.056
  826   1HG   PRO 105          1HG       PRO 105 -18.936  21.114  11.469
  827   2HG   PRO 105          2HG       PRO 105 -20.641  21.062  10.998
  828   1HD   PRO 105          1HD       PRO 105 -18.929  18.960  10.696
  829   2HD   PRO 105          2HD       PRO 105 -20.352  19.226   9.665
  830    H    LYS 106           H        LYS 106 -16.995  23.525   8.102
  831    HA   LYS 106           HA       LYS 106 -14.705  22.797   9.879
  832   1HB   LYS 106          1HB       LYS 106 -14.660  22.255   7.240
  833   2HB   LYS 106          2HB       LYS 106 -14.135  23.938   7.183
  834   1HG   LYS 106          1HG       LYS 106 -12.458  23.302   9.026
  835   2HG   LYS 106          2HG       LYS 106 -12.830  21.626   8.621
  836   1HD   LYS 106          1HD       LYS 106 -12.330  22.300   6.180
  837   2HD   LYS 106          2HD       LYS 106 -11.579  23.740   6.868
  838   1HE   LYS 106          1HE       LYS 106 -10.451  21.807   8.431
  839   2HE   LYS 106          2HE       LYS 106 -10.627  20.935   6.896
  840   1HZ   LYS 106          3HZ       LYS 106  -9.652  22.863   5.764
  841   2HZ   LYS 106          2HZ       LYS 106  -9.399  23.618   7.265
  842   3HZ   LYS 106          1HZ       LYS 106  -8.573  22.183   6.882
  843    H    LYS 107           H        LYS 107 -14.850  24.568  11.318
  844    HA   LYS 107           HA       LYS 107 -14.968  27.297  10.068
  845   1HB   LYS 107          1HB       LYS 107 -16.989  26.503  11.359
  846   2HB   LYS 107          2HB       LYS 107 -15.965  26.408  12.792
  847   1HG   LYS 107          1HG       LYS 107 -16.964  28.549  12.940
  848   2HG   LYS 107          2HG       LYS 107 -15.356  28.866  12.289
  849   1HD   LYS 107          1HD       LYS 107 -16.666  30.092  10.812
  850   2HD   LYS 107          2HD       LYS 107 -16.576  28.547   9.965
  851   1HE   LYS 107          1HE       LYS 107 -18.743  27.880  11.043
  852   2HE   LYS 107          2HE       LYS 107 -18.853  29.512  11.731
  853   1HZ   LYS 107          3HZ       LYS 107 -18.424  28.996   8.842
  854   2HZ   LYS 107          2HZ       LYS 107 -19.966  29.228   9.517
  855   3HZ   LYS 107          1HZ       LYS 107 -18.810  30.472   9.582
  856    H    LYS 108           H        LYS 108 -12.510  27.160  10.048
  857    HA   LYS 108           HA       LYS 108 -11.417  27.914  12.725
  858   1HB   LYS 108          1HB       LYS 108 -10.510  25.734  10.835
  859   2HB   LYS 108          2HB       LYS 108  -9.423  26.421  12.044
  860   1HG   LYS 108          1HG       LYS 108 -11.356  25.934  13.722
  861   2HG   LYS 108          2HG       LYS 108 -11.956  24.849  12.468
  862   1HD   LYS 108          1HD       LYS 108 -10.573  23.490  13.847
  863   2HD   LYS 108          2HD       LYS 108  -9.594  23.847  12.423
  864   1HE   LYS 108          1HE       LYS 108  -8.874  25.955  13.929
  865   2HE   LYS 108          2HE       LYS 108  -9.264  24.809  15.228
  866   1HZ   LYS 108          1HZ       LYS 108  -7.901  23.144  14.115
  867   2HZ   LYS 108          3HZ       LYS 108  -7.502  24.256  12.898
  868   3HZ   LYS 108          2HZ       LYS 108  -6.977  24.519  14.492
  869    H    ALA 109           H        ALA 109  -8.852  28.514  12.161
  870    HA   ALA 109           HA       ALA 109  -8.969  30.302   9.749
  871   1HB   ALA 109          2HB       ALA 109  -8.172  30.672  12.600
  872   2HB   ALA 109          1HB       ALA 109  -7.230  31.539  11.388
  873   3HB   ALA 109          3HB       ALA 109  -8.969  31.801  11.505
  874    H    VAL 110           H        VAL 110  -7.551  29.449   8.207
  875    HA   VAL 110           HA       VAL 110  -4.927  28.378   9.204
  876    HB   VAL 110           HB       VAL 110  -6.647  27.491   6.859
  877   1HG1  VAL 110          2HG1      VAL 110  -4.171  27.261   6.521
  878   2HG1  VAL 110          1HG1      VAL 110  -4.108  26.261   7.973
  879   3HG1  VAL 110          3HG1      VAL 110  -5.016  25.714   6.564
  880   1HG2  VAL 110          3HG2      VAL 110  -6.165  26.397   9.631
  881   2HG2  VAL 110          2HG2      VAL 110  -7.702  26.673   8.811
  882   3HG2  VAL 110          1HG2      VAL 110  -6.663  25.340   8.310
  883    H    VAL 111           H        VAL 111  -3.182  29.557   8.399
  884    HA   VAL 111           HA       VAL 111  -3.500  30.892   5.742
  885    HB   VAL 111           HB       VAL 111  -4.009  32.499   7.531
  886   1HG1  VAL 111          1HG1      VAL 111  -1.783  31.155   8.832
  887   2HG1  VAL 111          3HG1      VAL 111  -1.543  32.901   8.818
  888   3HG1  VAL 111          2HG1      VAL 111  -3.004  32.217   9.526
  889   1HG2  VAL 111          1HG2      VAL 111  -2.430  32.985   5.452
  890   2HG2  VAL 111          3HG2      VAL 111  -2.692  34.215   6.688
  891   3HG2  VAL 111          2HG2      VAL 111  -1.223  33.239   6.711
  892    H    GLN 112           H        GLN 112  -1.536  30.959   4.515
  893    HA   GLN 112           HA       GLN 112   0.812  29.590   5.792
  894   1HB   GLN 112          1HB       GLN 112  -0.497  29.451   3.081
  895   2HB   GLN 112          2HB       GLN 112   1.196  28.992   3.269
  896   1HG   GLN 112          1HG       GLN 112   0.697  27.155   4.589
  897   2HG   GLN 112          2HG       GLN 112  -0.800  27.867   5.194
  898   1HE2  GLN 112          1HE2      GLN 112   0.478  25.665   2.846
  899   2HE2  GLN 112          2HE2      GLN 112  -0.948  25.473   1.944
  900    H    ALA 113           H        ALA 113   1.795  31.688   6.401
  901    HA   ALA 113           HA       ALA 113   2.875  33.179   4.031
  902   1HB   ALA 113          2HB       ALA 113   2.300  34.617   6.577
  903   2HB   ALA 113          1HB       ALA 113   2.120  35.171   4.913
  904   3HB   ALA 113          3HB       ALA 113   0.905  34.109   5.626
  905    H    LYS 114           H        LYS 114   5.128  33.267   4.110
  906    HA   LYS 114           HA       LYS 114   6.432  32.944   6.798
  907   1HB   LYS 114          1HB       LYS 114   6.453  30.998   5.112
  908   2HB   LYS 114          2HB       LYS 114   7.521  32.007   4.135
  909   1HG   LYS 114          1HG       LYS 114   9.265  31.865   5.640
  910   2HG   LYS 114          2HG       LYS 114   8.191  31.671   7.027
  911   1HD   LYS 114          1HD       LYS 114   8.917  29.497   6.877
  912   2HD   LYS 114          2HD       LYS 114   7.594  29.398   5.715
  913   1HE   LYS 114          1HE       LYS 114   9.015  29.198   3.930
  914   2HE   LYS 114          2HE       LYS 114  10.175  30.361   4.605
  915   1HZ   LYS 114          1HZ       LYS 114   9.725  27.628   5.682
  916   2HZ   LYS 114          3HZ       LYS 114  10.996  28.038   4.637
  917   3HZ   LYS 114          2HZ       LYS 114  10.910  28.737   6.183
  918    H    LEU 115           H        LEU 115   7.892  34.602   7.300
  919    HA   LEU 115           HA       LEU 115   8.796  36.360   5.036
  920   1HB   LEU 115          1HB       LEU 115   7.866  36.940   7.856
  921   2HB   LEU 115          2HB       LEU 115   8.759  38.129   6.908
  922    HG   LEU 115           HG       LEU 115   6.398  36.797   5.641
  923   1HD1  LEU 115          2HD1      LEU 115   5.688  37.511   7.951
  924   2HD1  LEU 115          1HD1      LEU 115   6.161  39.157   7.530
  925   3HD1  LEU 115          3HD1      LEU 115   4.853  38.364   6.653
  926   1HD2  LEU 115          2HD2      LEU 115   7.915  39.383   5.456
  927   2HD2  LEU 115          1HD2      LEU 115   7.443  38.272   4.169
  928   3HD2  LEU 115          3HD2      LEU 115   6.240  39.333   4.902
  929    H    THR 116           H        THR 116  11.039  36.838   5.002
  930    HA   THR 116           HA       THR 116  12.665  35.750   7.282
  931    HB   THR 116           HB       THR 116  13.672  35.930   4.460
  932    HG1  THR 116           HG1      THR 116  12.637  34.082   3.915
  933   1HG2  THR 116          1HG2      THR 116  14.204  34.352   6.941
  934   2HG2  THR 116          3HG2      THR 116  14.554  33.599   5.385
  935   3HG2  THR 116          2HG2      THR 116  15.343  35.113   5.831
  936    H    THR 117           H        THR 117  14.538  37.040   7.874
  937    HA   THR 117           HA       THR 117  14.585  39.782   6.647
  938    HB   THR 117           HB       THR 117  15.500  39.098   9.433
  939    HG1  THR 117           HG1      THR 117  13.449  39.193  10.151
  940   1HG2  THR 117          3HG2      THR 117  15.856  41.362   8.345
  941   2HG2  THR 117          2HG2      THR 117  14.102  41.549   8.343
  942   3HG2  THR 117          1HG2      THR 117  14.971  41.395   9.871

  No H/Q in entry =         942
  Start of MODEL   21
    1    H1   MET   1           H        MET   1 -12.633  -9.313  -5.603
    2    H2   MET   1           HN2      MET   1 -12.902  -9.772  -7.217
    3    HA   MET   1           HA       MET   1 -12.596 -11.642  -4.918
    4   1HB   MET   1          1HB       MET   1 -14.843 -10.284  -6.344
    5   2HB   MET   1          2HB       MET   1 -15.097 -11.955  -5.842
    6   1HG   MET   1          1HG       MET   1 -14.899 -11.450  -3.578
    7   2HG   MET   1          2HG       MET   1 -13.931 -10.008  -3.881
    8   1HE   MET   1          3HE       MET   1 -17.404 -11.680  -4.009
    9   2HE   MET   1          2HE       MET   1 -18.432 -10.444  -4.729
   10   3HE   MET   1          1HE       MET   1 -17.159 -11.191  -5.691
   11    H    ALA   2           H        ALA   2 -13.838 -13.803  -5.862
   12    HA   ALA   2           HA       ALA   2 -13.749 -15.604  -7.364
   13   1HB   ALA   2          3HB       ALA   2 -14.592 -14.865  -9.321
   14   2HB   ALA   2          2HB       ALA   2 -14.133 -13.220  -8.890
   15   3HB   ALA   2          1HB       ALA   2 -13.009 -14.243  -9.783
   16    H    GLU   3           H        GLU   3 -11.238 -13.441  -8.832
   17    HA   GLU   3           HA       GLU   3  -9.163 -15.407  -7.960
   18   1HB   GLU   3          1HB       GLU   3 -10.122 -14.709 -10.693
   19   2HB   GLU   3          2HB       GLU   3  -8.376 -14.877 -10.494
   20   1HG   GLU   3          1HG       GLU   3  -9.043 -17.069 -11.002
   21   2HG   GLU   3          2HG       GLU   3  -8.977 -17.086  -9.239
   22    H    GLN   4           H        GLN   4  -9.635 -12.765  -6.869
   23    HA   GLN   4           HA       GLN   4  -7.066 -11.466  -7.641
   24   1HB   GLN   4          1HB       GLN   4  -9.408 -10.670  -8.766
   25   2HB   GLN   4          2HB       GLN   4  -9.414  -9.675  -7.310
   26   1HG   GLN   4          1HG       GLN   4  -8.173  -8.282  -8.651
   27   2HG   GLN   4          2HG       GLN   4  -6.859  -9.298  -8.056
   28   1HE2  GLN   4          1HE2      GLN   4  -7.679  -7.927 -10.871
   29   2HE2  GLN   4          2HE2      GLN   4  -7.293  -9.170 -11.961
   30    H    ARG   5           H        ARG   5  -6.009 -10.707  -5.778
   31    HA   ARG   5           HA       ARG   5  -7.681 -10.242  -3.334
   32   1HB   ARG   5          1HB       ARG   5  -5.496 -12.158  -3.892
   33   2HB   ARG   5          2HB       ARG   5  -5.335 -11.281  -2.371
   34   1HG   ARG   5          1HG       ARG   5  -7.859 -11.898  -2.047
   35   2HG   ARG   5          2HG       ARG   5  -7.527 -13.140  -3.255
   36   1HD   ARG   5          1HD       ARG   5  -5.374 -13.456  -1.588
   37   2HD   ARG   5          2HD       ARG   5  -6.643 -12.987  -0.438
   38    HE   ARG   5           HE       ARG   5  -7.977 -14.877  -1.207
   39   1HH1  ARG   5          1HH1      ARG   5  -6.758 -17.025  -0.745
   40   2HH1  ARG   5          2HH1      ARG   5  -5.871 -17.593  -2.120
   41   1HH2  ARG   5          1HH2      ARG   5  -6.001 -14.556  -3.789
   42   2HH2  ARG   5          2HH2      ARG   5  -5.443 -16.195  -3.844
   43    H    PHE   6           H        PHE   6  -7.051  -8.398  -2.149
   44    HA   PHE   6           HA       PHE   6  -4.489  -7.051  -2.955
   45   1HB   PHE   6          1HB       PHE   6  -7.301  -6.225  -3.134
   46   2HB   PHE   6          2HB       PHE   6  -6.317  -5.057  -2.259
   47    HD1  PHE   6           HD1      PHE   6  -7.294  -6.263  -5.458
   48    HD2  PHE   6           HD2      PHE   6  -4.061  -4.345  -3.374
   49    HE1  PHE   6           HE1      PHE   6  -6.415  -5.412  -7.605
   50    HE2  PHE   6           HE2      PHE   6  -3.182  -3.498  -5.525
   51    HZ   PHE   6           HZ       PHE   6  -4.354  -4.029  -7.646
   52    H    CYS   7           H        CYS   7  -3.330  -6.175  -1.164
   53    HA   CYS   7           HA       CYS   7  -4.721  -5.878   1.458
   54   1HB   CYS   7          1HB       CYS   7  -2.767  -8.019   0.692
   55   2HB   CYS   7          2HB       CYS   7  -2.621  -7.334   2.310
   56    HG   CYS   7           HG       CYS   7  -4.935  -8.215   2.914
   57    H    VAL   8           H        VAL   8  -3.106  -4.840   3.108
   58    HA   VAL   8           HA       VAL   8  -1.218  -3.079   1.593
   59    HB   VAL   8           HB       VAL   8  -1.512  -1.490   3.383
   60   1HG1  VAL   8          2HG1      VAL   8  -4.119  -2.815   2.605
   61   2HG1  VAL   8          1HG1      VAL   8  -4.028  -1.265   3.441
   62   3HG1  VAL   8          3HG1      VAL   8  -3.337  -1.440   1.827
   63   1HG2  VAL   8          1HG2      VAL   8  -2.372  -3.879   4.893
   64   2HG2  VAL   8          3HG2      VAL   8  -1.605  -2.399   5.466
   65   3HG2  VAL   8          2HG2      VAL   8  -3.347  -2.439   5.195
   66    H    ASP   9           H        ASP   9   0.983  -2.980   2.167
   67    HA   ASP   9           HA       ASP   9   1.892  -4.632   4.491
   68   1HB   ASP   9          1HB       ASP   9   1.962  -5.800   2.206
   69   2HB   ASP   9          2HB       ASP   9   3.188  -4.614   1.750
   70    H    TYR  10           H        TYR  10   3.835  -3.783   5.474
   71    HA   TYR  10           HA       TYR  10   4.518  -1.002   4.586
   72   1HB   TYR  10          1HB       TYR  10   4.785  -2.559   7.166
   73   2HB   TYR  10          2HB       TYR  10   5.555  -0.989   6.937
   74    HD1  TYR  10           HD1      TYR  10   2.523  -2.681   7.834
   75    HD2  TYR  10           HD2      TYR  10   4.051   0.964   6.140
   76    HE1  TYR  10           HE1      TYR  10   0.383  -1.541   8.349
   77    HE2  TYR  10           HE2      TYR  10   1.909   2.100   6.658
   78    HH   TYR  10           HH       TYR  10  -0.650   1.129   6.998
   79    H    ALA  11           H        ALA  11   6.790  -0.372   4.426
   80    HA   ALA  11           HA       ALA  11   8.503  -2.579   3.433
   81   1HB   ALA  11          3HB       ALA  11   8.887   0.428   3.651
   82   2HB   ALA  11          2HB       ALA  11  10.029  -0.662   2.865
   83   3HB   ALA  11          1HB       ALA  11   8.403  -0.467   2.209
   84    H    LYS  12           H        LYS  12  10.209  -3.508   4.585
   85    HA   LYS  12           HA       LYS  12  11.087  -2.142   7.106
   86   1HB   LYS  12          1HB       LYS  12   9.418  -3.938   7.525
   87   2HB   LYS  12          2HB       LYS  12  10.459  -5.084   6.680
   88   1HG   LYS  12          1HG       LYS  12  12.261  -4.150   8.420
   89   2HG   LYS  12          2HG       LYS  12  10.807  -3.832   9.367
   90   1HD   LYS  12          1HD       LYS  12  11.324  -6.515   8.074
   91   2HD   LYS  12          2HD       LYS  12  11.891  -6.130   9.699
   92   1HE   LYS  12          1HE       LYS  12   9.705  -5.946  10.557
   93   2HE   LYS  12          2HE       LYS  12   8.999  -5.692   8.948
   94   1HZ   LYS  12          2HZ       LYS  12  10.372  -8.180   9.821
   95   2HZ   LYS  12          1HZ       LYS  12   8.685  -7.984   9.757
   96   3HZ   LYS  12          3HZ       LYS  12   9.600  -7.923   8.331
   97    H    ARG  13           H        ARG  13  13.225  -1.590   6.492
   98    HA   ARG  13           HA       ARG  13  15.454  -1.897   5.785
   99   1HB   ARG  13          1HB       ARG  13  14.846  -3.709   7.659
  100   2HB   ARG  13          2HB       ARG  13  15.157  -4.823   6.328
  101   1HG   ARG  13          1HG       ARG  13  17.374  -3.858   5.987
  102   2HG   ARG  13          2HG       ARG  13  17.066  -2.650   7.235
  103   1HD   ARG  13          1HD       ARG  13  16.598  -4.756   8.758
  104   2HD   ARG  13          2HD       ARG  13  17.588  -5.593   7.545
  105    HE   ARG  13           HE       ARG  13  19.437  -4.121   8.088
  106   1HH1  ARG  13          1HH1      ARG  13  18.720  -4.916  10.845
  107   2HH1  ARG  13          2HH1      ARG  13  18.551  -3.394  11.654
  108   1HH2  ARG  13          1HH2      ARG  13  18.288  -1.565   8.719
  109   2HH2  ARG  13          2HH2      ARG  13  18.306  -1.496  10.450
  110    H    GLY  14           H        GLY  14  15.238  -1.548   3.474
  111   1HA   GLY  14          2HA       GLY  14  14.689  -3.980   1.836
  112   2HA   GLY  14          1HA       GLY  14  16.168  -3.059   1.557
  113    H    THR  15           H        THR  15  15.628  -2.298  -0.560
  114    HA   THR  15           HA       THR  15  13.277  -0.433  -0.660
  115    HB   THR  15           HB       THR  15  14.828   0.595  -2.509
  116    HG1  THR  15           HG1      THR  15  16.939   0.059  -2.316
  117   1HG2  THR  15          2HG2      THR  15  14.287   1.420  -0.104
  118   2HG2  THR  15          1HG2      THR  15  15.892   0.812   0.298
  119   3HG2  THR  15          3HG2      THR  15  15.707   2.080  -0.914
  120    H    ALA  16           H        ALA  16  11.770  -0.831  -2.323
  121    HA   ALA  16           HA       ALA  16  12.586  -2.777  -4.451
  122   1HB   ALA  16          2HB       ALA  16   9.967  -3.289  -4.178
  123   2HB   ALA  16          3HB       ALA  16  10.285  -2.684  -2.552
  124   3HB   ALA  16          1HB       ALA  16  11.173  -4.080  -3.163
  125    H    GLY  17           H        GLY  17  12.110  -2.120  -6.551
  126   1HA   GLY  17          2HA       GLY  17  11.371  -0.717  -8.270
  127   2HA   GLY  17          1HA       GLY  17  11.224   0.551  -7.054
  128    H    CYS  18           H        CYS  18   9.156   1.357  -7.044
  129    HA   CYS  18           HA       CYS  18   6.841  -0.274  -6.483
  130   1HB   CYS  18          1HB       CYS  18   6.939   2.093  -5.942
  131   2HB   CYS  18          2HB       CYS  18   7.223   2.518  -7.623
  132    H    LYS  19           H        LYS  19   5.609  -1.538  -7.889
  133    HA   LYS  19           HA       LYS  19   6.334  -1.921 -10.648
  134   1HB   LYS  19          1HB       LYS  19   3.761  -2.484  -9.126
  135   2HB   LYS  19          2HB       LYS  19   4.086  -3.089 -10.750
  136   1HG   LYS  19          1HG       LYS  19   6.316  -3.635  -8.946
  137   2HG   LYS  19          2HG       LYS  19   4.813  -4.322  -8.337
  138   1HD   LYS  19          1HD       LYS  19   5.649  -6.022  -9.732
  139   2HD   LYS  19          2HD       LYS  19   4.485  -5.194 -10.765
  140   1HE   LYS  19          1HE       LYS  19   6.399  -5.363 -12.148
  141   2HE   LYS  19          2HE       LYS  19   6.549  -3.728 -11.474
  142   1HZ   LYS  19          1HZ       LYS  19   7.890  -4.634  -9.673
  143   2HZ   LYS  19          3HZ       LYS  19   7.773  -6.189 -10.342
  144   3HZ   LYS  19          2HZ       LYS  19   8.607  -4.967 -11.177
  145    H    LYS  20           H        LYS  20   5.403  -1.032 -12.606
  146    HA   LYS  20           HA       LYS  20   4.433   0.695 -13.903
  147   1HB   LYS  20          1HB       LYS  20   2.414   0.324 -11.657
  148   2HB   LYS  20          2HB       LYS  20   2.090   1.244 -13.129
  149   1HG   LYS  20          1HG       LYS  20   3.044  -1.049 -14.220
  150   2HG   LYS  20          2HG       LYS  20   2.318  -1.691 -12.746
  151   1HD   LYS  20          1HD       LYS  20   0.191  -1.197 -13.418
  152   2HD   LYS  20          2HD       LYS  20   0.681   0.294 -14.222
  153   1HE   LYS  20          1HE       LYS  20   1.758  -1.170 -16.019
  154   2HE   LYS  20          2HE       LYS  20   0.899  -2.538 -15.281
  155   1HZ   LYS  20          3HZ       LYS  20  -1.153  -1.158 -15.413
  156   2HZ   LYS  20          2HZ       LYS  20  -0.287  -0.032 -16.344
  157   3HZ   LYS  20          1HZ       LYS  20  -0.530  -1.610 -16.925
  158    H    CYS  21           H        CYS  21   6.481   1.661 -12.243
  159    HA   CYS  21           HA       CYS  21   5.642   4.449 -11.788
  160   1HB   CYS  21          1HB       CYS  21   4.757   3.330  -9.820
  161   2HB   CYS  21          2HB       CYS  21   6.280   2.498  -9.553
  162    H    LYS  22           H        LYS  22   7.523   5.850 -11.503
  163    HA   LYS  22           HA       LYS  22  10.139   4.500 -12.075
  164   1HB   LYS  22          1HB       LYS  22   9.159   6.340 -13.561
  165   2HB   LYS  22          2HB       LYS  22   9.418   7.448 -12.213
  166   1HG   LYS  22          1HG       LYS  22  11.824   6.885 -12.212
  167   2HG   LYS  22          2HG       LYS  22  11.564   5.789 -13.569
  168   1HD   LYS  22          1HD       LYS  22  10.501   7.893 -14.718
  169   2HD   LYS  22          2HD       LYS  22  11.425   8.789 -13.513
  170   1HE   LYS  22          1HE       LYS  22  12.809   6.637 -15.095
  171   2HE   LYS  22          2HE       LYS  22  12.551   8.232 -15.830
  172   1HZ   LYS  22          3HZ       LYS  22  13.756   7.764 -13.153
  173   2HZ   LYS  22          2HZ       LYS  22  14.636   8.133 -14.559
  174   3HZ   LYS  22          1HZ       LYS  22  13.551   9.269 -13.909
  175    H    GLU  23           H        GLU  23   9.307   4.173  -9.441
  176    HA   GLU  23           HA       GLU  23  11.189   5.947  -7.965
  177   1HB   GLU  23          1HB       GLU  23   8.563   6.514  -8.066
  178   2HB   GLU  23          2HB       GLU  23   8.531   5.341  -6.755
  179   1HG   GLU  23          1HG       GLU  23   9.664   6.712  -5.317
  180   2HG   GLU  23          2HG       GLU  23  10.674   7.385  -6.597
  181    H    LYS  24           H        LYS  24  10.987   4.980  -5.442
  182    HA   LYS  24           HA       LYS  24  11.085   1.980  -5.632
  183   1HB   LYS  24          1HB       LYS  24  13.070   3.969  -4.491
  184   2HB   LYS  24          2HB       LYS  24  13.124   2.245  -4.123
  185   1HG   LYS  24          1HG       LYS  24  12.925   2.976  -6.999
  186   2HG   LYS  24          2HG       LYS  24  14.459   3.326  -6.203
  187   1HD   LYS  24          1HD       LYS  24  14.895   1.087  -5.750
  188   2HD   LYS  24          2HD       LYS  24  13.188   0.643  -5.782
  189   1HE   LYS  24          1HE       LYS  24  13.117   0.554  -8.121
  190   2HE   LYS  24          2HE       LYS  24  14.512   1.638  -8.301
  191   1HZ   LYS  24          3HZ       LYS  24  14.607  -1.086  -7.113
  192   2HZ   LYS  24          2HZ       LYS  24  15.118  -0.694  -8.686
  193   3HZ   LYS  24          1HZ       LYS  24  15.929  -0.048  -7.340
  194    H    ILE  25           H        ILE  25  10.786   0.937  -3.501
  195    HA   ILE  25           HA       ILE  25   9.128   2.632  -1.669
  196    HB   ILE  25           HB       ILE  25   9.357  -0.391  -1.909
  197   1HG1  ILE  25          1HG1      ILE  25   7.197   1.442  -3.003
  198   2HG1  ILE  25          2HG1      ILE  25   8.485   0.746  -3.986
  199   1HG2  ILE  25          2HG2      ILE  25   8.431   0.924   0.208
  200   2HG2  ILE  25          1HG2      ILE  25   6.994   1.068  -0.806
  201   3HG2  ILE  25          3HG2      ILE  25   7.623  -0.526  -0.387
  202   1HD1  ILE  25          1HD1      ILE  25   6.463  -0.835  -2.371
  203   2HD1  ILE  25          3HD1      ILE  25   6.428  -0.618  -4.121
  204   3HD1  ILE  25          2HD1      ILE  25   7.744  -1.521  -3.371
  205    H    VAL  26           H        VAL  26  10.546   3.488  -0.107
  206    HA   VAL  26           HA       VAL  26  12.584   1.640   1.082
  207    HB   VAL  26           HB       VAL  26  13.308   3.807   0.065
  208   1HG1  VAL  26          3HG1      VAL  26  11.424   4.922   2.144
  209   2HG1  VAL  26          2HG1      VAL  26  12.790   5.866   1.556
  210   3HG1  VAL  26          1HG1      VAL  26  11.544   5.328   0.432
  211   1HG2  VAL  26          3HG2      VAL  26  14.386   2.660   2.132
  212   2HG2  VAL  26          2HG2      VAL  26  14.850   4.321   1.763
  213   3HG2  VAL  26          1HG2      VAL  26  13.686   3.995   3.047
  214    H    LYS  27           H        LYS  27  12.879   1.741   3.473
  215    HA   LYS  27           HA       LYS  27  10.623   1.135   5.008
  216   1HB   LYS  27          1HB       LYS  27  13.192   1.127   5.545
  217   2HB   LYS  27          2HB       LYS  27  12.879   2.727   6.218
  218   1HG   LYS  27          1HG       LYS  27  11.303   1.858   7.794
  219   2HG   LYS  27          2HG       LYS  27  11.261   0.289   6.987
  220   1HD   LYS  27          1HD       LYS  27  13.826   0.244   7.493
  221   2HD   LYS  27          2HD       LYS  27  13.435   1.476   8.693
  222   1HE   LYS  27          1HE       LYS  27  11.630  -0.875   8.710
  223   2HE   LYS  27          2HE       LYS  27  13.303  -1.201   9.208
  224   1HZ   LYS  27          2HZ       LYS  27  13.150   0.831  10.615
  225   2HZ   LYS  27          1HZ       LYS  27  11.486   0.891  10.276
  226   3HZ   LYS  27          3HZ       LYS  27  12.131  -0.433  11.118
  227    H    GLY  28           H        GLY  28   8.992   2.298   6.094
  228   1HA   GLY  28          2HA       GLY  28   9.245   5.264   6.179
  229   2HA   GLY  28          1HA       GLY  28   8.155   4.310   7.180
  230    H    VAL  29           H        VAL  29   7.864   2.980   4.094
  231    HA   VAL  29           HA       VAL  29   5.581   4.807   3.467
  232    HB   VAL  29           HB       VAL  29   7.591   5.053   1.981
  233   1HG1  VAL  29          2HG1      VAL  29   7.698   2.267   2.110
  234   2HG1  VAL  29          1HG1      VAL  29   7.119   2.591   0.480
  235   3HG1  VAL  29          3HG1      VAL  29   8.637   3.294   1.031
  236   1HG2  VAL  29          3HG2      VAL  29   4.979   4.022   0.876
  237   2HG2  VAL  29          2HG2      VAL  29   5.539   5.691   0.993
  238   3HG2  VAL  29          1HG2      VAL  29   6.264   4.598  -0.186
  239    H    CYS  30           H        CYS  30   3.602   3.742   3.126
  240    HA   CYS  30           HA       CYS  30   3.593   0.801   3.555
  241   1HB   CYS  30          1HB       CYS  30   2.043   2.461   4.701
  242   2HB   CYS  30          2HB       CYS  30   1.258   2.695   3.139
  243    HG   CYS  30           HG       CYS  30  -0.048   0.661   3.655
  244    H    ARG  31           H        ARG  31   3.047  -0.723   1.954
  245    HA   ARG  31           HA       ARG  31   2.302   0.369  -0.746
  246   1HB   ARG  31          1HB       ARG  31   3.793  -1.390  -1.674
  247   2HB   ARG  31          2HB       ARG  31   4.680  -0.286  -0.623
  248   1HG   ARG  31          1HG       ARG  31   3.525  -2.568   0.827
  249   2HG   ARG  31          2HG       ARG  31   4.677  -3.054  -0.414
  250   1HD   ARG  31          1HD       ARG  31   6.027  -0.966   0.711
  251   2HD   ARG  31          2HD       ARG  31   5.153  -1.596   2.120
  252    HE   ARG  31           HE       ARG  31   6.248  -3.727   1.810
  253   1HH1  ARG  31          1HH1      ARG  31   6.398  -2.503  -1.251
  254   2HH1  ARG  31          2HH1      ARG  31   8.074  -2.843  -1.525
  255   1HH2  ARG  31          1HH2      ARG  31   8.720  -3.673   1.778
  256   2HH2  ARG  31          2HH2      ARG  31   9.388  -3.503   0.189
  257    H    ILE  32           H        ILE  32   0.932  -1.088  -2.037
  258    HA   ILE  32           HA       ILE  32  -0.601  -2.994  -0.308
  259    HB   ILE  32           HB       ILE  32  -1.346  -1.996  -3.077
  260   1HG1  ILE  32          1HG1      ILE  32  -2.103  -0.726  -0.416
  261   2HG1  ILE  32          2HG1      ILE  32  -0.909  -0.052  -1.525
  262   1HG2  ILE  32          2HG2      ILE  32  -2.512  -3.965  -1.930
  263   2HG2  ILE  32          1HG2      ILE  32  -3.118  -2.790  -0.763
  264   3HG2  ILE  32          3HG2      ILE  32  -3.548  -2.643  -2.467
  265   1HD1  ILE  32          2HD1      ILE  32  -2.970  -0.416  -3.240
  266   2HD1  ILE  32          1HD1      ILE  32  -3.868  -0.129  -1.751
  267   3HD1  ILE  32          3HD1      ILE  32  -2.724   1.079  -2.337
  268    H    GLY  33           H        GLY  33  -0.620  -5.210  -0.778
  269   1HA   GLY  33          2HA       GLY  33   0.711  -7.054  -1.684
  270   2HA   GLY  33          1HA       GLY  33   1.007  -6.076  -3.124
  271    H    LYS  34           H        LYS  34  -0.120  -6.966  -4.852
  272    HA   LYS  34           HA       LYS  34  -2.992  -7.681  -4.374
  273   1HB   LYS  34          1HB       LYS  34  -2.453  -5.923  -6.042
  274   2HB   LYS  34          2HB       LYS  34  -1.444  -7.073  -6.921
  275   1HG   LYS  34          1HG       LYS  34  -3.499  -8.556  -7.115
  276   2HG   LYS  34          2HG       LYS  34  -4.440  -7.195  -6.504
  277   1HD   LYS  34          1HD       LYS  34  -3.507  -5.795  -8.373
  278   2HD   LYS  34          2HD       LYS  34  -2.757  -7.253  -9.024
  279   1HE   LYS  34          1HE       LYS  34  -4.867  -8.276  -9.463
  280   2HE   LYS  34          2HE       LYS  34  -5.731  -7.091  -8.461
  281   1HZ   LYS  34          2HZ       LYS  34  -4.130  -6.384 -10.862
  282   2HZ   LYS  34          1HZ       LYS  34  -5.815  -6.597 -10.883
  283   3HZ   LYS  34          3HZ       LYS  34  -5.132  -5.352  -9.958
  284    H    VAL  35           H        VAL  35  -3.272  -9.903  -4.079
  285    HA   VAL  35           HA       VAL  35  -1.317 -11.767  -5.352
  286    HB   VAL  35           HB       VAL  35  -3.570 -12.227  -3.362
  287   1HG1  VAL  35          2HG1      VAL  35  -1.514 -13.990  -4.639
  288   2HG1  VAL  35          1HG1      VAL  35  -1.939 -14.289  -2.955
  289   3HG1  VAL  35          3HG1      VAL  35  -3.183 -14.353  -4.203
  290   1HG2  VAL  35          1HG2      VAL  35  -0.575 -11.890  -2.989
  291   2HG2  VAL  35          3HG2      VAL  35  -1.827 -10.778  -2.437
  292   3HG2  VAL  35          2HG2      VAL  35  -1.695 -12.383  -1.719
  293    H    VAL  36           H        VAL  36  -1.845 -12.669  -7.331
  294    HA   VAL  36           HA       VAL  36  -4.759 -12.981  -7.986
  295    HB   VAL  36           HB       VAL  36  -2.351 -12.455  -9.765
  296   1HG1  VAL  36          1HG1      VAL  36  -5.215 -13.118 -10.303
  297   2HG1  VAL  36          3HG1      VAL  36  -4.440 -11.921 -11.341
  298   3HG1  VAL  36          2HG1      VAL  36  -3.772 -13.549 -11.221
  299   1HG2  VAL  36          2HG2      VAL  36  -4.670 -10.693  -8.906
  300   2HG2  VAL  36          1HG2      VAL  36  -2.979 -10.489  -8.446
  301   3HG2  VAL  36          3HG2      VAL  36  -3.472 -10.253 -10.123
  302    HA   PRO  37           HA       PRO  37  -3.203 -17.246  -7.945
  303   1HB   PRO  37          1HB       PRO  37  -5.651 -18.469  -8.003
  304   2HB   PRO  37          2HB       PRO  37  -4.928 -17.823  -6.516
  305   1HG   PRO  37          1HG       PRO  37  -7.037 -16.656  -8.255
  306   2HG   PRO  37          2HG       PRO  37  -6.882 -16.629  -6.492
  307   1HD   PRO  37          1HD       PRO  37  -6.248 -14.516  -8.106
  308   2HD   PRO  37          2HD       PRO  37  -5.521 -14.796  -6.510
  309    H    ASN  38           H        ASN  38  -2.953 -18.790  -9.664
  310    HA   ASN  38           HA       ASN  38  -4.102 -17.921 -12.291
  311   1HB   ASN  38          1HB       ASN  38  -1.646 -19.374 -11.353
  312   2HB   ASN  38          2HB       ASN  38  -2.219 -19.652 -12.998
  313   1HD2  ASN  38          2HD2      ASN  38  -1.730 -18.029 -14.569
  314   2HD2  ASN  38          1HD2      ASN  38  -1.038 -16.530 -14.176
  315    HA   PRO  39           HA       PRO  39  -6.575 -21.550 -12.593
  316   1HB   PRO  39          1HB       PRO  39  -6.247 -22.345 -15.193
  317   2HB   PRO  39          2HB       PRO  39  -7.197 -20.918 -14.730
  318   1HG   PRO  39          1HG       PRO  39  -4.412 -21.078 -15.774
  319   2HG   PRO  39          2HG       PRO  39  -5.692 -19.913 -16.147
  320   1HD   PRO  39          1HD       PRO  39  -3.642 -19.371 -14.448
  321   2HD   PRO  39          2HD       PRO  39  -5.253 -18.637 -14.291
  322    H    PHE  40           H        PHE  40  -6.408 -24.014 -13.428
  323    HA   PHE  40           HA       PHE  40  -5.324 -26.079 -13.287
  324   1HB   PHE  40          1HB       PHE  40  -3.998 -25.055 -15.121
  325   2HB   PHE  40          2HB       PHE  40  -2.868 -24.410 -13.936
  326    HD1  PHE  40           HD1      PHE  40  -4.079 -27.432 -15.628
  327    HD2  PHE  40           HD2      PHE  40  -1.396 -25.897 -12.644
  328    HE1  PHE  40           HE1      PHE  40  -2.860 -29.593 -15.611
  329    HE2  PHE  40           HE2      PHE  40  -0.178 -28.057 -12.628
  330    HZ   PHE  40           HZ       PHE  40  -0.910 -29.905 -14.111
  331    H    SER  41           H        SER  41  -2.775 -23.896 -11.886
  332    HA   SER  41           HA       SER  41  -2.942 -25.574  -9.404
  333   1HB   SER  41          1HB       SER  41  -0.830 -25.819 -10.542
  334   2HB   SER  41          2HB       SER  41  -0.689 -24.079 -10.778
  335    HG   SER  41           HG       SER  41  -0.528 -25.568  -8.373
  336    H    GLU  42           H        GLU  42  -3.797 -24.461  -7.647
  337    HA   GLU  42           HA       GLU  42  -3.777 -21.468  -7.735
  338   1HB   GLU  42          1HB       GLU  42  -5.354 -23.528  -6.162
  339   2HB   GLU  42          2HB       GLU  42  -5.510 -21.789  -5.910
  340   1HG   GLU  42          1HG       GLU  42  -7.164 -22.023  -7.483
  341   2HG   GLU  42          2HG       GLU  42  -5.799 -21.864  -8.590
  342    H    SER  43           H        SER  43  -3.094 -24.175  -5.436
  343    HA   SER  43           HA       SER  43  -2.086 -22.588  -3.287
  344   1HB   SER  43          1HB       SER  43  -2.537 -25.180  -3.566
  345   2HB   SER  43          2HB       SER  43  -0.832 -25.229  -4.005
  346    HG   SER  43           HG       SER  43  -1.387 -25.471  -1.698
  347    H    GLY  44           H        GLY  44  -0.360 -23.868  -6.176
  348   1HA   GLY  44          2HA       GLY  44   2.116 -23.658  -6.332
  349   2HA   GLY  44          1HA       GLY  44   1.981 -22.187  -5.368
  350    H    GLY  45           H        GLY  45  -0.275 -21.006  -6.726
  351   1HA   GLY  45          2HA       GLY  45  -0.538 -20.797  -9.380
  352   2HA   GLY  45          1HA       GLY  45   1.098 -20.161  -9.216
  353    H    ASP  46           H        ASP  46   1.285 -18.297  -7.512
  354    HA   ASP  46           HA       ASP  46  -1.019 -16.451  -7.951
  355   1HB   ASP  46          1HB       ASP  46  -0.951 -15.882  -5.527
  356   2HB   ASP  46          2HB       ASP  46  -1.362 -17.576  -5.791
  357    H    MET  47           H        MET  47  -0.338 -14.259  -8.180
  358    HA   MET  47           HA       MET  47   2.620 -13.790  -7.941
  359   1HB   MET  47          1HB       MET  47   0.474 -12.853  -9.851
  360   2HB   MET  47          2HB       MET  47   2.014 -12.004  -9.722
  361   1HG   MET  47          1HG       MET  47   3.244 -13.855 -10.490
  362   2HG   MET  47          2HG       MET  47   1.944 -14.988 -10.122
  363   1HE   MET  47          1HE       MET  47   3.529 -15.148 -12.385
  364   2HE   MET  47          3HE       MET  47   2.696 -14.974 -13.936
  365   3HE   MET  47          2HE       MET  47   3.657 -13.644 -13.293
  366    H    LYS  48           H        LYS  48   3.282 -11.934  -6.754
  367    HA   LYS  48           HA       LYS  48   1.093 -10.176  -5.690
  368   1HB   LYS  48          1HB       LYS  48   1.961 -11.942  -4.109
  369   2HB   LYS  48          2HB       LYS  48   3.547 -11.177  -4.218
  370   1HG   LYS  48          1HG       LYS  48   2.386  -9.005  -3.520
  371   2HG   LYS  48          2HG       LYS  48   0.993 -10.004  -3.105
  372   1HD   LYS  48          1HD       LYS  48   3.649 -10.871  -2.061
  373   2HD   LYS  48          2HD       LYS  48   2.913  -9.449  -1.320
  374   1HE   LYS  48          1HE       LYS  48   0.969 -10.671  -0.658
  375   2HE   LYS  48          2HE       LYS  48   1.389 -12.042  -1.703
  376   1HZ   LYS  48          2HZ       LYS  48   3.113 -11.059   0.505
  377   2HZ   LYS  48          1HZ       LYS  48   2.025 -12.354   0.670
  378   3HZ   LYS  48          3HZ       LYS  48   3.326 -12.474  -0.411
  379    H    GLU  49           H        GLU  49   1.487  -8.039  -6.283
  380    HA   GLU  49           HA       GLU  49   4.345  -7.236  -6.741
  381   1HB   GLU  49          1HB       GLU  49   1.712  -6.380  -7.980
  382   2HB   GLU  49          2HB       GLU  49   3.232  -5.536  -8.274
  383   1HG   GLU  49          1HG       GLU  49   4.151  -7.315  -9.459
  384   2HG   GLU  49          2HG       GLU  49   3.120  -8.508  -8.666
  385    H    TRP  50           H        TRP  50   5.026  -5.241  -5.753
  386    HA   TRP  50           HA       TRP  50   3.197  -4.245  -3.610
  387   1HB   TRP  50          1HB       TRP  50   6.157  -3.961  -4.193
  388   2HB   TRP  50          2HB       TRP  50   5.359  -3.085  -2.889
  389    HD1  TRP  50           HD1      TRP  50   7.406  -5.903  -3.172
  390    HE1  TRP  50           HE1      TRP  50   6.886  -7.734  -1.438
  391    HE3  TRP  50           HE3      TRP  50   2.736  -4.423  -1.683
  392    HZ2  TRP  50           HZ2      TRP  50   4.778  -8.477   0.342
  393    HZ3  TRP  50           HZ3      TRP  50   1.506  -5.712   0.033
  394    HH2  TRP  50           HH2      TRP  50   2.516  -7.736   1.046
  395    H    TYR  51           H        TYR  51   2.406  -2.105  -3.610
  396    HA   TYR  51           HA       TYR  51   3.246  -0.370  -5.914
  397   1HB   TYR  51          1HB       TYR  51   0.532  -0.867  -4.651
  398   2HB   TYR  51          2HB       TYR  51   0.842   0.402  -5.834
  399    HD1  TYR  51           HD1      TYR  51   1.432  -0.155  -8.168
  400    HD2  TYR  51           HD2      TYR  51   0.473  -3.192  -5.282
  401    HE1  TYR  51           HE1      TYR  51   1.115  -1.802  -9.995
  402    HE2  TYR  51           HE2      TYR  51   0.165  -4.840  -7.102
  403    HH   TYR  51           HH       TYR  51  -0.466  -4.299  -9.975
  404    H    HIS  52           H        HIS  52   2.556   2.019  -5.407
  405    HA   HIS  52           HA       HIS  52   3.535   2.692  -2.666
  406   1HB   HIS  52          1HB       HIS  52   3.270   3.998  -5.316
  407   2HB   HIS  52          2HB       HIS  52   3.047   5.068  -3.940
  408    HD2  HIS  52           HD2      HIS  52   5.399   4.129  -1.933
  409    HE1  HIS  52           HE1      HIS  52   8.033   4.246  -5.247
  410    HE2  HIS  52           HE2      HIS  52   7.859   4.207  -2.738
  411    H    ILE  53           H        ILE  53   2.151   4.964  -1.978
  412    HA   ILE  53           HA       ILE  53  -0.580   3.914  -1.500
  413    HB   ILE  53           HB       ILE  53   0.851   6.449  -0.617
  414   1HG1  ILE  53          1HG1      ILE  53   1.804   4.331   0.258
  415   2HG1  ILE  53          2HG1      ILE  53   1.042   5.270   1.541
  416   1HG2  ILE  53          3HG2      ILE  53  -1.936   5.853  -0.579
  417   2HG2  ILE  53          2HG2      ILE  53  -1.355   5.674   1.076
  418   3HG2  ILE  53          1HG2      ILE  53  -1.103   7.190   0.217
  419   1HD1  ILE  53          1HD1      ILE  53  -1.010   3.650   0.469
  420   2HD1  ILE  53          3HD1      ILE  53   0.400   2.599   0.623
  421   3HD1  ILE  53          2HD1      ILE  53  -0.213   3.463   2.033
  422    H    LYS  54           H        LYS  54   0.953   6.655  -3.254
  423    HA   LYS  54           HA       LYS  54  -1.689   7.548  -4.251
  424   1HB   LYS  54          1HB       LYS  54   0.647   8.835  -3.695
  425   2HB   LYS  54          2HB       LYS  54   0.818   8.609  -5.436
  426   1HG   LYS  54          1HG       LYS  54  -0.982   9.967  -5.931
  427   2HG   LYS  54          2HG       LYS  54  -1.814   9.591  -4.421
  428   1HD   LYS  54          1HD       LYS  54   0.250  10.851  -3.343
  429   2HD   LYS  54          2HD       LYS  54   0.358  11.591  -4.941
  430   1HE   LYS  54          1HE       LYS  54  -2.374  11.482  -3.775
  431   2HE   LYS  54          2HE       LYS  54  -1.232  12.584  -2.978
  432   1HZ   LYS  54          1HZ       LYS  54  -0.648  13.489  -5.143
  433   2HZ   LYS  54          3HZ       LYS  54  -1.753  12.452  -5.902
  434   3HZ   LYS  54          2HZ       LYS  54  -2.313  13.669  -4.857
  435    H    CYS  55           H        CYS  55   1.099   5.680  -5.462
  436    HA   CYS  55           HA       CYS  55   0.347   5.744  -8.255
  437   1HB   CYS  55          1HB       CYS  55   1.852   3.634  -6.667
  438   2HB   CYS  55          2HB       CYS  55   1.839   3.758  -8.423
  439    H    MET  56           H        MET  56  -0.241   3.257  -5.723
  440    HA   MET  56           HA       MET  56  -1.898   1.598  -7.419
  441   1HB   MET  56          1HB       MET  56  -0.737   1.284  -4.991
  442   2HB   MET  56          2HB       MET  56  -2.387   1.639  -4.476
  443   1HG   MET  56          1HG       MET  56  -1.736  -0.442  -6.575
  444   2HG   MET  56          2HG       MET  56  -1.873  -0.825  -4.859
  445   1HE   MET  56          3HE       MET  56  -3.143   0.072  -8.022
  446   2HE   MET  56          2HE       MET  56  -4.164  -1.360  -7.910
  447   3HE   MET  56          1HE       MET  56  -4.904   0.238  -7.970
  448    H    PHE  57           H        PHE  57  -2.698   4.233  -5.118
  449    HA   PHE  57           HA       PHE  57  -5.577   3.913  -5.472
  450   1HB   PHE  57          1HB       PHE  57  -3.729   5.866  -4.189
  451   2HB   PHE  57          2HB       PHE  57  -5.314   6.485  -4.645
  452    HD1  PHE  57           HD1      PHE  57  -7.368   5.558  -3.672
  453    HD2  PHE  57           HD2      PHE  57  -3.504   4.122  -2.474
  454    HE1  PHE  57           HE1      PHE  57  -8.387   4.437  -1.719
  455    HE2  PHE  57           HE2      PHE  57  -4.516   3.011  -0.515
  456    HZ   PHE  57           HZ       PHE  57  -6.965   3.161  -0.137
  457    H    GLU  58           H        GLU  58  -3.052   5.778  -7.176
  458    HA   GLU  58           HA       GLU  58  -4.783   7.480  -8.710
  459   1HB   GLU  58          1HB       GLU  58  -2.297   7.676  -8.578
  460   2HB   GLU  58          2HB       GLU  58  -2.151   6.195  -9.523
  461   1HG   GLU  58          1HG       GLU  58  -2.944   7.198 -11.473
  462   2HG   GLU  58          2HG       GLU  58  -3.806   8.460 -10.592
  463    H    LYS  59           H        LYS  59  -3.757   4.082  -9.225
  464    HA   LYS  59           HA       LYS  59  -4.818   3.750 -11.872
  465   1HB   LYS  59          1HB       LYS  59  -4.178   1.984  -9.543
  466   2HB   LYS  59          2HB       LYS  59  -5.182   1.296 -10.820
  467   1HG   LYS  59          1HG       LYS  59  -3.344   2.357 -12.399
  468   2HG   LYS  59          2HG       LYS  59  -2.345   2.252 -10.949
  469   1HD   LYS  59          1HD       LYS  59  -2.972  -0.166 -10.754
  470   2HD   LYS  59          2HD       LYS  59  -3.819  -0.029 -12.296
  471   1HE   LYS  59          1HE       LYS  59  -1.716  -0.795 -12.997
  472   2HE   LYS  59          2HE       LYS  59  -1.490   0.961 -13.115
  473   1HZ   LYS  59          1HZ       LYS  59  -0.761   0.896 -10.745
  474   2HZ   LYS  59          3HZ       LYS  59  -0.750  -0.797 -10.840
  475   3HZ   LYS  59          2HZ       LYS  59   0.298   0.114 -11.818
  476    H    LEU  60           H        LEU  60  -6.416   3.459  -8.674
  477    HA   LEU  60           HA       LEU  60  -8.959   2.493  -9.578
  478   1HB   LEU  60          1HB       LEU  60  -7.930   4.053  -7.236
  479   2HB   LEU  60          2HB       LEU  60  -9.676   4.031  -7.485
  480    HG   LEU  60           HG       LEU  60  -9.565   1.527  -7.611
  481   1HD1  LEU  60          2HD1      LEU  60  -6.684   2.102  -6.887
  482   2HD1  LEU  60          1HD1      LEU  60  -7.439   0.534  -6.607
  483   3HD1  LEU  60          3HD1      LEU  60  -7.287   1.158  -8.249
  484   1HD2  LEU  60          2HD2      LEU  60  -8.505   2.854  -5.096
  485   2HD2  LEU  60          1HD2      LEU  60 -10.200   2.601  -5.513
  486   3HD2  LEU  60          3HD2      LEU  60  -9.162   1.220  -5.158
  487    H    GLU  61           H        GLU  61  -7.715   5.857  -9.312
  488    HA   GLU  61           HA       GLU  61 -10.110   7.205 -10.139
  489   1HB   GLU  61          1HB       GLU  61  -8.071   8.301  -9.201
  490   2HB   GLU  61          2HB       GLU  61  -7.210   7.936 -10.698
  491   1HG   GLU  61          1HG       GLU  61  -9.044   9.216 -11.919
  492   2HG   GLU  61          2HG       GLU  61  -9.593   9.767 -10.336
  493    H    ARG  62           H        ARG  62  -7.561   5.574 -12.040
  494    HA   ARG  62           HA       ARG  62  -9.034   6.278 -14.552
  495   1HB   ARG  62          1HB       ARG  62  -6.205   5.557 -13.818
  496   2HB   ARG  62          2HB       ARG  62  -6.764   5.295 -15.472
  497   1HG   ARG  62          1HG       ARG  62  -7.286   7.939 -14.146
  498   2HG   ARG  62          2HG       ARG  62  -5.688   7.606 -14.819
  499   1HD   ARG  62          1HD       ARG  62  -6.548   7.334 -17.021
  500   2HD   ARG  62          2HD       ARG  62  -8.216   7.180 -16.434
  501    HE   ARG  62           HE       ARG  62  -8.280   9.546 -16.078
  502   1HH1  ARG  62          1HH1      ARG  62  -6.699   9.625 -18.628
  503   2HH1  ARG  62          2HH1      ARG  62  -5.369  10.647 -18.196
  504   1HH2  ARG  62          1HH2      ARG  62  -5.896  10.337 -14.782
  505   2HH2  ARG  62          2HH2      ARG  62  -4.914  11.051 -16.019
  506    H    ALA  63           H        ALA  63  -9.881   4.068 -12.616
  507    HA   ALA  63           HA       ALA  63  -9.357   1.681 -14.358
  508   1HB   ALA  63          2HB       ALA  63  -8.693   1.038 -12.243
  509   2HB   ALA  63          3HB       ALA  63 -10.410   0.670 -12.090
  510   3HB   ALA  63          1HB       ALA  63  -9.772   2.183 -11.446
  511    H    ARG  64           H        ARG  64 -11.316   0.143 -14.504
  512    HA   ARG  64           HA       ARG  64 -13.631   1.555 -15.503
  513   1HB   ARG  64          1HB       ARG  64 -12.675  -0.917 -15.847
  514   2HB   ARG  64          2HB       ARG  64 -13.831  -1.286 -14.566
  515   1HG   ARG  64          1HG       ARG  64 -15.672  -0.523 -15.852
  516   2HG   ARG  64          2HG       ARG  64 -14.627   0.319 -16.996
  517   1HD   ARG  64          1HD       ARG  64 -13.762  -1.820 -17.834
  518   2HD   ARG  64          2HD       ARG  64 -14.740  -2.700 -16.643
  519    HE   ARG  64           HE       ARG  64 -16.758  -1.621 -17.752
  520   1HH1  ARG  64          1HH1      ARG  64 -16.198  -3.671 -19.605
  521   2HH1  ARG  64          2HH1      ARG  64 -15.808  -2.865 -21.087
  522   1HH2  ARG  64          1HH2      ARG  64 -15.192   0.193 -19.571
  523   2HH2  ARG  64          2HH2      ARG  64 -15.238  -0.677 -21.068
  524    H    ALA  65           H        ALA  65 -15.832   1.600 -14.578
  525    HA   ALA  65           HA       ALA  65 -15.792   1.942 -11.632
  526   1HB   ALA  65          1HB       ALA  65 -17.779   2.462 -13.852
  527   2HB   ALA  65          3HB       ALA  65 -18.229   2.640 -12.156
  528   3HB   ALA  65          2HB       ALA  65 -16.945   3.638 -12.836
  529    H    THR  66           H        THR  66 -17.249  -0.298 -14.025
  530    HA   THR  66           HA       THR  66 -19.131  -1.650 -12.410
  531    HB   THR  66           HB       THR  66 -18.273  -3.699 -13.854
  532    HG1  THR  66           HG1      THR  66 -16.946  -3.099 -15.493
  533   1HG2  THR  66          1HG2      THR  66 -19.607  -1.159 -14.719
  534   2HG2  THR  66          3HG2      THR  66 -19.252  -2.391 -15.930
  535   3HG2  THR  66          2HG2      THR  66 -20.287  -2.778 -14.555
  536    H    THR  67           H        THR  67 -15.564  -2.080 -12.440
  537    HA   THR  67           HA       THR  67 -15.863  -4.022 -10.171
  538    HB   THR  67           HB       THR  67 -13.408  -3.540 -11.869
  539    HG1  THR  67           HG1      THR  67 -14.189  -4.957 -13.332
  540   1HG2  THR  67          3HG2      THR  67 -14.466  -5.858 -10.235
  541   2HG2  THR  67          2HG2      THR  67 -13.059  -5.969 -11.291
  542   3HG2  THR  67          1HG2      THR  67 -13.035  -4.885  -9.900
  543    H    LYS  68           H        LYS  68 -15.100  -3.353  -8.149
  544    HA   LYS  68           HA       LYS  68 -13.455  -0.840  -8.077
  545   1HB   LYS  68          1HB       LYS  68 -15.956  -1.259  -7.109
  546   2HB   LYS  68          2HB       LYS  68 -15.004  -1.760  -5.712
  547   1HG   LYS  68          1HG       LYS  68 -15.063   0.482  -5.244
  548   2HG   LYS  68          2HG       LYS  68 -13.690   0.513  -6.351
  549   1HD   LYS  68          1HD       LYS  68 -15.060   2.173  -7.257
  550   2HD   LYS  68          2HD       LYS  68 -15.538   0.761  -8.200
  551   1HE   LYS  68          1HE       LYS  68 -17.418   0.374  -6.578
  552   2HE   LYS  68          2HE       LYS  68 -16.987   1.903  -5.787
  553   1HZ   LYS  68          1HZ       LYS  68 -17.616   1.584  -8.674
  554   2HZ   LYS  68          3HZ       LYS  68 -18.669   2.234  -7.516
  555   3HZ   LYS  68          2HZ       LYS  68 -17.223   3.041  -7.895
  556    H    LYS  69           H        LYS  69 -11.573  -0.860  -6.727
  557    HA   LYS  69           HA       LYS  69 -10.909  -3.516  -5.492
  558   1HB   LYS  69          1HB       LYS  69  -9.220  -1.406  -6.872
  559   2HB   LYS  69          2HB       LYS  69  -8.540  -2.796  -6.026
  560   1HG   LYS  69          1HG       LYS  69  -9.328  -4.314  -7.595
  561   2HG   LYS  69          2HG       LYS  69 -10.666  -3.272  -8.082
  562   1HD   LYS  69          1HD       LYS  69  -8.707  -1.681  -8.890
  563   2HD   LYS  69          2HD       LYS  69  -7.794  -3.191  -8.933
  564   1HE   LYS  69          1HE       LYS  69  -9.482  -4.201 -10.414
  565   2HE   LYS  69          2HE       LYS  69 -10.444  -2.710 -10.348
  566   1HZ   LYS  69          2HZ       LYS  69  -7.614  -2.872 -11.246
  567   2HZ   LYS  69          1HZ       LYS  69  -8.953  -2.760 -12.286
  568   3HZ   LYS  69          3HZ       LYS  69  -8.587  -1.480 -11.235
  569    H    ILE  70           H        ILE  70 -10.385  -3.457  -3.284
  570    HA   ILE  70           HA       ILE  70 -10.064  -2.560  -1.130
  571    HB   ILE  70           HB       ILE  70  -8.612  -0.474  -2.797
  572   1HG1  ILE  70          1HG1      ILE  70  -7.580  -3.013  -1.485
  573   2HG1  ILE  70          2HG1      ILE  70  -7.908  -2.842  -3.209
  574   1HG2  ILE  70          2HG2      ILE  70  -9.015   0.202  -0.438
  575   2HG2  ILE  70          1HG2      ILE  70  -8.253  -1.293   0.105
  576   3HG2  ILE  70          3HG2      ILE  70  -7.303  -0.082  -0.756
  577   1HD1  ILE  70          3HD1      ILE  70  -6.190  -0.730  -2.042
  578   2HD1  ILE  70          2HD1      ILE  70  -5.480  -2.344  -2.078
  579   3HD1  ILE  70          1HD1      ILE  70  -6.033  -1.593  -3.574
  580    H    GLU  71           H        GLU  71 -12.193  -1.923  -0.481
  581    HA   GLU  71           HA       GLU  71 -13.000   0.880  -1.194
  582   1HB   GLU  71          1HB       GLU  71 -14.451  -1.697  -0.636
  583   2HB   GLU  71          2HB       GLU  71 -15.279  -0.161  -0.373
  584   1HG   GLU  71          1HG       GLU  71 -15.798  -0.694  -2.613
  585   2HG   GLU  71          2HG       GLU  71 -14.464   0.452  -2.755
  586    H    ASP  72           H        ASP  72 -13.310   2.348   0.531
  587    HA   ASP  72           HA       ASP  72 -13.177   3.176   2.736
  588   1HB   ASP  72          1HB       ASP  72 -15.142   1.281   2.531
  589   2HB   ASP  72          2HB       ASP  72 -14.179   0.620   3.852
  590    H    LEU  73           H        LEU  73 -12.615   1.903   5.203
  591    HA   LEU  73           HA       LEU  73  -9.850   0.848   4.698
  592   1HB   LEU  73          1HB       LEU  73 -10.028   3.054   5.793
  593   2HB   LEU  73          2HB       LEU  73 -11.068   2.362   7.037
  594    HG   LEU  73           HG       LEU  73  -9.201   0.815   7.665
  595   1HD1  LEU  73          1HD1      LEU  73  -8.023   0.870   5.481
  596   2HD1  LEU  73          3HD1      LEU  73  -7.611   2.562   5.758
  597   3HD1  LEU  73          2HD1      LEU  73  -6.946   1.310   6.806
  598   1HD2  LEU  73          1HD2      LEU  73  -9.108   3.781   7.877
  599   2HD2  LEU  73          3HD2      LEU  73  -9.189   2.564   9.151
  600   3HD2  LEU  73          2HD2      LEU  73  -7.651   2.912   8.360
  601    H    THR  74           H        THR  74  -9.088  -0.833   6.295
  602    HA   THR  74           HA       THR  74  -9.371  -2.834   7.495
  603    HB   THR  74           HB       THR  74 -12.044  -2.158   8.527
  604    HG1  THR  74           HG1      THR  74 -11.527  -0.230   9.396
  605   1HG2  THR  74          3HG2      THR  74 -10.452  -3.734   9.595
  606   2HG2  THR  74          2HG2      THR  74  -9.328  -2.401   9.854
  607   3HG2  THR  74          1HG2      THR  74 -10.887  -2.411  10.676
  608    H    GLU  75           H        GLU  75 -10.129  -2.974   4.771
  609    HA   GLU  75           HA       GLU  75 -12.645  -4.615   4.847
  610   1HB   GLU  75          1HB       GLU  75 -11.531  -2.578   3.068
  611   2HB   GLU  75          2HB       GLU  75 -11.948  -4.047   2.189
  612   1HG   GLU  75          1HG       GLU  75 -13.817  -2.600   4.089
  613   2HG   GLU  75          2HG       GLU  75 -13.853  -2.435   2.334
  614    H    LEU  76           H        LEU  76  -9.585  -4.466   2.899
  615    HA   LEU  76           HA       LEU  76  -9.249  -7.400   3.374
  616   1HB   LEU  76          1HB       LEU  76  -8.790  -7.648   0.935
  617   2HB   LEU  76          2HB       LEU  76 -10.432  -7.083   1.233
  618    HG   LEU  76           HG       LEU  76  -8.309  -5.008   0.850
  619   1HD1  LEU  76          2HD1      LEU  76  -8.167  -6.931  -0.954
  620   2HD1  LEU  76          1HD1      LEU  76  -9.632  -6.175  -1.576
  621   3HD1  LEU  76          3HD1      LEU  76  -8.142  -5.242  -1.459
  622   1HD2  LEU  76          3HD2      LEU  76 -11.212  -5.247   0.781
  623   2HD2  LEU  76          2HD2      LEU  76 -10.205  -3.810   0.944
  624   3HD2  LEU  76          1HD2      LEU  76 -10.584  -4.439  -0.656
  625    H    GLU  77           H        GLU  77  -7.649  -6.000   4.892
  626    HA   GLU  77           HA       GLU  77  -5.065  -5.961   3.422
  627   1HB   GLU  77          1HB       GLU  77  -4.558  -3.751   4.305
  628   2HB   GLU  77          2HB       GLU  77  -6.066  -3.692   3.411
  629   1HG   GLU  77          1HG       GLU  77  -7.225  -4.058   5.685
  630   2HG   GLU  77          2HG       GLU  77  -5.666  -3.662   6.404
  631    H    GLY  78           H        GLY  78  -3.293  -6.661   4.725
  632   1HA   GLY  78          2HA       GLY  78  -2.358  -7.856   6.535
  633   2HA   GLY  78          1HA       GLY  78  -3.971  -7.956   7.247
  634    H    TRP  79           H        TRP  79  -4.788  -5.706   8.113
  635    HA   TRP  79           HA       TRP  79  -2.591  -3.945   9.038
  636   1HB   TRP  79          1HB       TRP  79  -4.374  -2.407   9.641
  637   2HB   TRP  79          2HB       TRP  79  -4.693  -3.035   8.030
  638    HD1  TRP  79           HD1      TRP  79  -6.778  -4.647   7.717
  639    HE1  TRP  79           HE1      TRP  79  -8.837  -5.120   9.184
  640    HE3  TRP  79           HE3      TRP  79  -5.204  -2.613  12.133
  641    HZ2  TRP  79           HZ2      TRP  79  -9.714  -4.684  11.862
  642    HZ3  TRP  79           HZ3      TRP  79  -6.684  -2.649  14.123
  643    HH2  TRP  79           HH2      TRP  79  -8.936  -3.681  13.988
  644    H    GLU  80           H        GLU  80  -4.937  -6.264  10.410
  645    HA   GLU  80           HA       GLU  80  -4.726  -5.652  13.165
  646   1HB   GLU  80          1HB       GLU  80  -6.172  -7.409  12.105
  647   2HB   GLU  80          2HB       GLU  80  -4.739  -8.422  11.915
  648   1HG   GLU  80          1HG       GLU  80  -4.489  -7.861  14.527
  649   2HG   GLU  80          2HG       GLU  80  -6.241  -7.707  14.389
  650    H    GLU  81           H        GLU  81  -2.277  -7.221  11.083
  651    HA   GLU  81           HA       GLU  81  -0.604  -7.853  13.469
  652   1HB   GLU  81          1HB       GLU  81  -0.896  -9.484  11.606
  653   2HB   GLU  81          2HB       GLU  81  -0.148  -8.329  10.503
  654   1HG   GLU  81          1HG       GLU  81   1.887  -8.337  11.978
  655   2HG   GLU  81          2HG       GLU  81   1.143  -9.633  12.915
  656    H    LEU  82           H        LEU  82  -0.541  -5.734  10.561
  657    HA   LEU  82           HA       LEU  82   2.110  -4.662  11.110
  658   1HB   LEU  82          1HB       LEU  82  -0.240  -3.600   9.499
  659   2HB   LEU  82          2HB       LEU  82   1.388  -2.924   9.448
  660    HG   LEU  82           HG       LEU  82   0.752  -5.820   8.826
  661   1HD1  LEU  82          2HD1      LEU  82  -0.035  -3.726   7.269
  662   2HD1  LEU  82          1HD1      LEU  82   1.598  -3.989   6.657
  663   3HD1  LEU  82          3HD1      LEU  82   0.424  -5.304   6.630
  664   1HD2  LEU  82          3HD2      LEU  82   3.204  -4.155   8.992
  665   2HD2  LEU  82          2HD2      LEU  82   3.005  -5.892   9.221
  666   3HD2  LEU  82          1HD2      LEU  82   3.101  -5.223   7.592
  667    H    GLU  83           H        GLU  83   2.072  -1.980  11.276
  668    HA   GLU  83           HA       GLU  83   1.306  -1.411  14.000
  669   1HB   GLU  83          1HB       GLU  83   3.079  -0.278  12.516
  670   2HB   GLU  83          2HB       GLU  83   1.748   0.643  11.815
  671   1HG   GLU  83          1HG       GLU  83   2.706   1.953  13.618
  672   2HG   GLU  83          2HG       GLU  83   1.120   1.380  14.135
  673    H    ASP  84           H        ASP  84  -0.452  -0.090  14.818
  674    HA   ASP  84           HA       ASP  84  -2.894  -0.201  13.134
  675   1HB   ASP  84          1HB       ASP  84  -2.241   0.337  16.023
  676   2HB   ASP  84          2HB       ASP  84  -3.827   0.782  15.391
  677    H    ASN  85           H        ASN  85  -0.837   2.280  14.700
  678    HA   ASN  85           HA       ASN  85  -2.428   4.575  14.077
  679   1HB   ASN  85          1HB       ASN  85   0.572   4.182  14.309
  680   2HB   ASN  85          2HB       ASN  85  -0.179   5.772  14.166
  681   1HD2  ASN  85          2HD2      ASN  85  -0.825   6.736  16.141
  682   2HD2  ASN  85          1HD2      ASN  85  -1.029   5.882  17.593
  683    H    GLU  86           H        GLU  86   0.035   2.887  12.095
  684    HA   GLU  86           HA       GLU  86   0.067   4.724   9.892
  685   1HB   GLU  86          1HB       GLU  86   0.442   1.711  10.000
  686   2HB   GLU  86          2HB       GLU  86   0.845   2.704   8.597
  687   1HG   GLU  86          1HG       GLU  86   2.158   4.096  10.492
  688   2HG   GLU  86          2HG       GLU  86   2.222   2.494  11.227
  689    H    LYS  87           H        LYS  87  -2.106   1.965  10.593
  690    HA   LYS  87           HA       LYS  87  -3.549   1.952   8.122
  691   1HB   LYS  87          1HB       LYS  87  -3.684   0.261   9.999
  692   2HB   LYS  87          2HB       LYS  87  -4.664   1.421  10.896
  693   1HG   LYS  87          1HG       LYS  87  -6.321   1.445   9.070
  694   2HG   LYS  87          2HG       LYS  87  -5.343   0.292   8.164
  695   1HD   LYS  87          1HD       LYS  87  -6.598  -1.295   9.193
  696   2HD   LYS  87          2HD       LYS  87  -5.587  -0.969  10.601
  697   1HE   LYS  87          1HE       LYS  87  -8.116   0.607  10.030
  698   2HE   LYS  87          2HE       LYS  87  -8.103  -0.858  11.034
  699   1HZ   LYS  87          2HZ       LYS  87  -6.221   0.197  12.283
  700   2HZ   LYS  87          1HZ       LYS  87  -6.563   1.643  11.460
  701   3HZ   LYS  87          3HZ       LYS  87  -7.725   0.959  12.487
  702    H    GLU  88           H        GLU  88  -4.012   3.953  11.056
  703    HA   GLU  88           HA       GLU  88  -6.484   5.200  10.305
  704   1HB   GLU  88          1HB       GLU  88  -4.894   5.327  12.470
  705   2HB   GLU  88          2HB       GLU  88  -4.360   6.809  11.677
  706   1HG   GLU  88          1HG       GLU  88  -6.146   7.626  12.908
  707   2HG   GLU  88          2HG       GLU  88  -6.969   7.208  11.406
  708    H    GLN  89           H        GLN  89  -3.092   6.207   9.608
  709    HA   GLN  89           HA       GLN  89  -3.730   8.595   8.150
  710   1HB   GLN  89          1HB       GLN  89  -1.440   6.670   8.276
  711   2HB   GLN  89          2HB       GLN  89  -1.465   7.819   6.938
  712   1HG   GLN  89          1HG       GLN  89  -1.199   9.648   8.318
  713   2HG   GLN  89          2HG       GLN  89  -2.022   8.877   9.674
  714   1HE2  GLN  89          1HE2      GLN  89  -0.654   8.074  11.324
  715   2HE2  GLN  89          2HE2      GLN  89   1.003   7.770  11.120
  716    H    ILE  90           H        ILE  90  -3.678   5.179   7.098
  717    HA   ILE  90           HA       ILE  90  -3.857   5.612   4.271
  718    HB   ILE  90           HB       ILE  90  -5.023   3.426   6.043
  719   1HG1  ILE  90          1HG1      ILE  90  -2.568   3.617   6.164
  720   2HG1  ILE  90          2HG1      ILE  90  -3.026   2.153   5.301
  721   1HG2  ILE  90          3HG2      ILE  90  -4.966   3.780   3.071
  722   2HG2  ILE  90          2HG2      ILE  90  -4.702   2.161   3.721
  723   3HG2  ILE  90          1HG2      ILE  90  -6.195   3.025   4.087
  724   1HD1  ILE  90          1HD1      ILE  90  -2.885   3.999   3.259
  725   2HD1  ILE  90          3HD1      ILE  90  -1.586   4.527   4.327
  726   3HD1  ILE  90          2HD1      ILE  90  -1.594   2.880   3.697
  727    H    THR  91           H        THR  91  -6.418   5.590   6.801
  728    HA   THR  91           HA       THR  91  -8.695   5.742   5.075
  729    HB   THR  91           HB       THR  91  -8.835   7.429   7.490
  730    HG1  THR  91           HG1      THR  91  -8.285   5.850   8.915
  731   1HG2  THR  91          2HG2      THR  91 -10.281   5.158   6.216
  732   2HG2  THR  91          1HG2      THR  91 -10.464   5.350   7.960
  733   3HG2  THR  91          3HG2      THR  91 -10.913   6.667   6.875
  734    H    GLN  92           H        GLN  92  -6.571   8.344   6.315
  735    HA   GLN  92           HA       GLN  92  -8.040  10.557   5.184
  736   1HB   GLN  92          1HB       GLN  92  -5.882  10.322   6.808
  737   2HB   GLN  92          2HB       GLN  92  -5.055  10.669   5.289
  738   1HG   GLN  92          1HG       GLN  92  -5.445  12.811   6.176
  739   2HG   GLN  92          2HG       GLN  92  -6.786  12.599   5.051
  740   1HE2  GLN  92          1HE2      GLN  92  -6.417  14.017   7.896
  741   2HE2  GLN  92          2HE2      GLN  92  -7.813  13.512   8.716
  742    H    HIS  93           H        HIS  93  -5.405   8.506   3.859
  743    HA   HIS  93           HA       HIS  93  -5.056   9.903   1.370
  744   1HB   HIS  93          1HB       HIS  93  -3.525   8.166   2.246
  745   2HB   HIS  93          2HB       HIS  93  -4.780   6.947   2.045
  746    HD1  HIS  93           HD1      HIS  93  -2.480   9.180   0.041
  747    HD2  HIS  93           HD2      HIS  93  -5.061   5.969  -0.570
  748    HE1  HIS  93           HE1      HIS  93  -2.023   8.321  -2.301
  749    H    ILE  94           H        ILE  94  -7.225   7.132   2.198
  750    HA   ILE  94           HA       ILE  94  -8.399   6.907  -0.426
  751    HB   ILE  94           HB       ILE  94  -9.416   6.207   2.355
  752   1HG1  ILE  94          1HG1      ILE  94  -8.608   4.252   0.237
  753   2HG1  ILE  94          2HG1      ILE  94  -7.341   5.120   1.101
  754   1HG2  ILE  94          2HG2      ILE  94 -10.594   5.629  -0.375
  755   2HG2  ILE  94          1HG2      ILE  94 -10.963   4.642   1.038
  756   3HG2  ILE  94          3HG2      ILE  94 -11.397   6.351   1.019
  757   1HD1  ILE  94          3HD1      ILE  94  -9.574   3.669   2.527
  758   2HD1  ILE  94          2HD1      ILE  94  -8.056   2.881   2.095
  759   3HD1  ILE  94          1HD1      ILE  94  -8.054   4.253   3.204
  760    H    ALA  95           H        ALA  95  -9.293   8.902   2.415
  761    HA   ALA  95           HA       ALA  95 -11.748   9.959   1.361
  762   1HB   ALA  95          2HB       ALA  95 -11.085  11.946   2.911
  763   2HB   ALA  95          3HB       ALA  95  -9.670  10.972   3.310
  764   3HB   ALA  95          1HB       ALA  95 -11.288  10.360   3.657
  765    H    ASP  96           H        ASP  96  -8.358  11.049   0.951
  766    HA   ASP  96           HA       ASP  96  -8.932  13.469  -0.502
  767   1HB   ASP  96          1HB       ASP  96  -6.692  12.381   0.459
  768   2HB   ASP  96          2HB       ASP  96  -6.552  11.769  -1.190
  769    H    LEU  97           H        LEU  97  -8.377  10.102  -1.649
  770    HA   LEU  97           HA       LEU  97  -8.601  10.639  -4.463
  771   1HB   LEU  97          1HB       LEU  97  -7.805   8.506  -3.432
  772   2HB   LEU  97          2HB       LEU  97  -9.456   8.164  -2.914
  773    HG   LEU  97           HG       LEU  97  -9.931   8.621  -5.519
  774   1HD1  LEU  97          2HD1      LEU  97  -7.392   9.011  -5.779
  775   2HD1  LEU  97          1HD1      LEU  97  -7.234   7.265  -5.584
  776   3HD1  LEU  97          3HD1      LEU  97  -8.162   7.921  -6.932
  777   1HD2  LEU  97          3HD2      LEU  97  -9.239   6.201  -3.931
  778   2HD2  LEU  97          2HD2      LEU  97 -10.711   6.576  -4.826
  779   3HD2  LEU  97          1HD2      LEU  97  -9.282   5.999  -5.683
  780    H    SER  98           H        SER  98 -11.126  10.083  -1.973
  781    HA   SER  98           HA       SER  98 -13.233  10.346  -4.080
  782   1HB   SER  98          1HB       SER  98 -13.474   8.464  -2.576
  783   2HB   SER  98          2HB       SER  98 -13.226   9.492  -1.166
  784    HG   SER  98           HG       SER  98 -15.418   9.174  -1.419
  785    H    SER  99           H        SER  99 -12.337  12.784  -4.099
  786    HA   SER  99           HA       SER  99 -14.070  14.334  -2.213
  787   1HB   SER  99          1HB       SER  99 -11.234  15.059  -2.995
  788   2HB   SER  99          2HB       SER  99 -12.227  15.819  -1.754
  789    HG   SER  99           HG       SER  99 -10.927  14.402  -0.693
  790    H    LYS 100           H        LYS 100 -14.520  16.588  -3.084
  791    HA   LYS 100           HA       LYS 100 -14.258  16.690  -6.075
  792   1HB   LYS 100          1HB       LYS 100 -16.538  17.294  -4.183
  793   2HB   LYS 100          2HB       LYS 100 -16.517  17.926  -5.830
  794   1HG   LYS 100          1HG       LYS 100 -16.078  14.992  -5.296
  795   2HG   LYS 100          2HG       LYS 100 -17.707  15.657  -5.423
  796   1HD   LYS 100          1HD       LYS 100 -17.165  16.567  -7.652
  797   2HD   LYS 100          2HD       LYS 100 -15.538  15.897  -7.529
  798   1HE   LYS 100          1HE       LYS 100 -16.389  13.633  -7.502
  799   2HE   LYS 100          2HE       LYS 100 -18.061  14.213  -7.372
  800   1HZ   LYS 100          2HZ       LYS 100 -16.226  14.927  -9.595
  801   2HZ   LYS 100          1HZ       LYS 100 -17.373  13.678  -9.686
  802   3HZ   LYS 100          3HZ       LYS 100 -17.883  15.282  -9.481
  803    H    ALA 101           H        ALA 101 -12.344  17.922  -4.258
  804    HA   ALA 101           HA       ALA 101 -13.038  20.827  -4.594
  805   1HB   ALA 101          3HB       ALA 101 -11.034  19.734  -2.629
  806   2HB   ALA 101          2HB       ALA 101 -11.990  21.213  -2.526
  807   3HB   ALA 101          1HB       ALA 101 -12.756  19.647  -2.262
  808    H    ALA 102           H        ALA 102 -12.042  20.639  -6.833
  809    HA   ALA 102           HA       ALA 102  -9.042  20.602  -6.678
  810   1HB   ALA 102          2HB       ALA 102 -11.013  19.178  -8.348
  811   2HB   ALA 102          3HB       ALA 102  -9.341  18.754  -7.981
  812   3HB   ALA 102          1HB       ALA 102  -9.696  19.913  -9.262
  813    H    GLY 103           H        GLY 103  -8.296  21.665  -9.034
  814   1HA   GLY 103          2HA       GLY 103  -8.007  24.062  -9.522
  815   2HA   GLY 103          1HA       GLY 103  -9.709  24.296  -9.122
  816    H    THR 104           H        THR 104  -8.370  25.035 -11.663
  817    HA   THR 104           HA       THR 104  -9.553  23.081 -13.587
  818    HB   THR 104           HB       THR 104 -10.636  25.096 -14.695
  819    HG1  THR 104           HG1      THR 104 -10.737  26.961 -13.524
  820   1HG2  THR 104          3HG2      THR 104 -11.616  23.444 -12.832
  821   2HG2  THR 104          2HG2      THR 104 -11.724  24.952 -11.924
  822   3HG2  THR 104          1HG2      THR 104 -12.559  24.792 -13.469
  823    HA   PRO 105           HA       PRO 105  -5.493  24.566 -15.089
  824   1HB   PRO 105          1HB       PRO 105  -4.888  22.310 -16.515
  825   2HB   PRO 105          2HB       PRO 105  -4.588  22.460 -14.773
  826   1HG   PRO 105          1HG       PRO 105  -6.803  21.079 -16.197
  827   2HG   PRO 105          2HG       PRO 105  -5.926  20.598 -14.736
  828   1HD   PRO 105          1HD       PRO 105  -8.414  21.721 -14.704
  829   2HD   PRO 105          2HD       PRO 105  -7.251  21.862 -13.367
  830    H    LYS 106           H        LYS 106  -4.921  25.325 -17.253
  831    HA   LYS 106           HA       LYS 106  -7.125  25.024 -19.271
  832   1HB   LYS 106          1HB       LYS 106  -6.550  27.264 -18.034
  833   2HB   LYS 106          2HB       LYS 106  -5.170  27.311 -19.131
  834   1HG   LYS 106          1HG       LYS 106  -6.686  28.394 -20.474
  835   2HG   LYS 106          2HG       LYS 106  -7.100  26.736 -20.914
  836   1HD   LYS 106          1HD       LYS 106  -9.019  26.718 -19.574
  837   2HD   LYS 106          2HD       LYS 106  -8.438  28.038 -18.558
  838   1HE   LYS 106          1HE       LYS 106 -10.028  29.140 -19.890
  839   2HE   LYS 106          2HE       LYS 106  -8.547  29.410 -20.830
  840   1HZ   LYS 106          1HZ       LYS 106  -9.027  27.307 -22.010
  841   2HZ   LYS 106          3HZ       LYS 106 -10.518  27.218 -21.206
  842   3HZ   LYS 106          2HZ       LYS 106 -10.208  28.498 -22.279
  843    H    LYS 107           H        LYS 107  -6.269  23.394 -20.656
  844    HA   LYS 107           HA       LYS 107  -3.677  24.069 -21.987
  845   1HB   LYS 107          1HB       LYS 107  -4.439  21.721 -20.335
  846   2HB   LYS 107          2HB       LYS 107  -3.561  21.358 -21.820
  847   1HG   LYS 107          1HG       LYS 107  -1.836  23.050 -21.147
  848   2HG   LYS 107          2HG       LYS 107  -2.677  23.230 -19.607
  849   1HD   LYS 107          1HD       LYS 107  -2.012  21.166 -18.843
  850   2HD   LYS 107          2HD       LYS 107  -2.002  20.456 -20.457
  851   1HE   LYS 107          1HE       LYS 107   0.003  22.603 -19.991
  852   2HE   LYS 107          2HE       LYS 107   0.280  21.073 -19.132
  853   1HZ   LYS 107          2HZ       LYS 107  -0.154  19.910 -21.251
  854   2HZ   LYS 107          1HZ       LYS 107  -0.220  21.413 -22.041
  855   3HZ   LYS 107          3HZ       LYS 107   1.225  20.899 -21.317
  856    H    LYS 108           H        LYS 108  -3.903  23.913 -24.232
  857    HA   LYS 108           HA       LYS 108  -6.235  22.328 -25.266
  858   1HB   LYS 108          1HB       LYS 108  -6.041  24.965 -25.355
  859   2HB   LYS 108          2HB       LYS 108  -4.968  24.635 -26.715
  860   1HG   LYS 108          1HG       LYS 108  -6.659  23.777 -28.026
  861   2HG   LYS 108          2HG       LYS 108  -7.576  23.186 -26.640
  862   1HD   LYS 108          1HD       LYS 108  -8.504  25.290 -26.190
  863   2HD   LYS 108          2HD       LYS 108  -7.231  26.144 -27.060
  864   1HE   LYS 108          1HE       LYS 108  -9.011  24.253 -28.579
  865   2HE   LYS 108          2HE       LYS 108  -9.597  25.883 -28.191
  866   1HZ   LYS 108          2HZ       LYS 108  -6.944  25.326 -29.404
  867   2HZ   LYS 108          1HZ       LYS 108  -8.317  25.750 -30.310
  868   3HZ   LYS 108          3HZ       LYS 108  -7.674  26.843 -29.185
  869    H    ALA 109           H        ALA 109  -3.841  20.910 -24.915
  870    HA   ALA 109           HA       ALA 109  -2.655  20.838 -27.673
  871   1HB   ALA 109          1HB       ALA 109  -1.279  21.470 -25.572
  872   2HB   ALA 109          2HB       ALA 109  -0.611  20.225 -26.627
  873   3HB   ALA 109          3HB       ALA 109  -1.423  19.769 -25.129
  874    H    VAL 110           H        VAL 110  -2.193  18.638 -28.527
  875    HA   VAL 110           HA       VAL 110  -3.927  16.534 -27.269
  876    HB   VAL 110           HB       VAL 110  -3.121  17.016 -30.161
  877   1HG1  VAL 110          3HG1      VAL 110  -4.905  14.952 -28.845
  878   2HG1  VAL 110          2HG1      VAL 110  -4.946  15.297 -30.574
  879   3HG1  VAL 110          1HG1      VAL 110  -3.476  14.660 -29.837
  880   1HG2  VAL 110          2HG2      VAL 110  -4.723  18.685 -29.214
  881   2HG2  VAL 110          1HG2      VAL 110  -5.452  17.690 -30.475
  882   3HG2  VAL 110          3HG2      VAL 110  -5.803  17.359 -28.779
  883    H    VAL 111           H        VAL 111  -2.913  14.550 -26.777
  884    HA   VAL 111           HA       VAL 111  -0.063  14.241 -27.676
  885    HB   VAL 111           HB       VAL 111  -1.432  13.375 -25.102
  886   1HG1  VAL 111          2HG1      VAL 111   0.698  12.147 -26.213
  887   2HG1  VAL 111          1HG1      VAL 111   1.531  13.466 -25.393
  888   3HG1  VAL 111          3HG1      VAL 111   0.524  12.349 -24.471
  889   1HG2  VAL 111          2HG2      VAL 111  -1.052  15.858 -25.396
  890   2HG2  VAL 111          1HG2      VAL 111  -0.180  15.151 -24.036
  891   3HG2  VAL 111          3HG2      VAL 111   0.673  15.517 -25.536
  892    H    GLN 112           H        GLN 112   0.083  12.522 -29.129
  893    HA   GLN 112           HA       GLN 112  -1.786  10.204 -28.722
  894   1HB   GLN 112          1HB       GLN 112  -0.878  11.788 -31.086
  895   2HB   GLN 112          2HB       GLN 112  -1.140  10.060 -31.328
  896   1HG   GLN 112          1HG       GLN 112  -3.384  10.577 -29.988
  897   2HG   GLN 112          2HG       GLN 112  -3.111  12.196 -30.631
  898   1HE2  GLN 112          1HE2      GLN 112  -4.781   9.424 -31.379
  899   2HE2  GLN 112          2HE2      GLN 112  -4.744   9.525 -33.073
  900    H    ALA 113           H        ALA 113  -0.457   8.642 -27.709
  901    HA   ALA 113           HA       ALA 113   2.212   8.127 -28.986
  902   1HB   ALA 113          3HB       ALA 113   1.213   8.079 -26.136
  903   2HB   ALA 113          2HB       ALA 113   2.680   7.216 -26.599
  904   3HB   ALA 113          1HB       ALA 113   2.586   8.965 -26.800
  905    H    LYS 114           H        LYS 114   2.648   5.939 -29.550
  906    HA   LYS 114           HA       LYS 114   0.429   3.989 -29.009
  907   1HB   LYS 114          1HB       LYS 114   2.091   4.724 -31.364
  908   2HB   LYS 114          2HB       LYS 114   1.731   3.008 -31.173
  909   1HG   LYS 114          1HG       LYS 114  -0.718   3.786 -30.794
  910   2HG   LYS 114          2HG       LYS 114  -0.190   5.301 -31.526
  911   1HD   LYS 114          1HD       LYS 114   0.404   4.224 -33.568
  912   2HD   LYS 114          2HD       LYS 114   0.296   2.622 -32.838
  913   1HE   LYS 114          1HE       LYS 114  -2.039   2.615 -32.873
  914   2HE   LYS 114          2HE       LYS 114  -2.142   4.387 -32.861
  915   1HZ   LYS 114          1HZ       LYS 114  -0.951   2.831 -35.090
  916   2HZ   LYS 114          3HZ       LYS 114  -2.566   3.348 -35.079
  917   3HZ   LYS 114          2HZ       LYS 114  -1.309   4.491 -35.067
  918    H    LEU 115           H        LEU 115   1.025   2.021 -28.019
  919    HA   LEU 115           HA       LEU 115   3.967   1.543 -27.640
  920   1HB   LEU 115          1HB       LEU 115   1.611   1.095 -25.775
  921   2HB   LEU 115          2HB       LEU 115   3.276   0.636 -25.413
  922    HG   LEU 115           HG       LEU 115   2.450   3.465 -26.111
  923   1HD1  LEU 115          2HD1      LEU 115   2.732   2.086 -23.430
  924   2HD1  LEU 115          1HD1      LEU 115   2.788   3.839 -23.614
  925   3HD1  LEU 115          3HD1      LEU 115   1.329   2.952 -24.054
  926   1HD2  LEU 115          3HD2      LEU 115   4.965   2.084 -25.226
  927   2HD2  LEU 115          2HD2      LEU 115   4.752   3.331 -26.454
  928   3HD2  LEU 115          1HD2      LEU 115   4.696   3.759 -24.744
  929    H    THR 116           H        THR 116   4.368  -0.187 -29.080
  930    HA   THR 116           HA       THR 116   2.663  -2.623 -28.722
  931    HB   THR 116           HB       THR 116   3.639  -1.453 -31.348
  932    HG1  THR 116           HG1      THR 116   2.015  -0.168 -30.695
  933   1HG2  THR 116          1HG2      THR 116   3.352  -3.946 -31.232
  934   2HG2  THR 116          3HG2      THR 116   1.661  -3.683 -30.807
  935   3HG2  THR 116          2HG2      THR 116   2.266  -3.161 -32.379
  936    H    THR 117           H        THR 117   4.337  -3.785 -27.593
  937    HA   THR 117           HA       THR 117   6.827  -4.276 -29.197
  938    HB   THR 117           HB       THR 117   7.788  -4.539 -26.762
  939    HG1  THR 117           HG1      THR 117   6.656  -3.454 -25.237
  940   1HG2  THR 117          3HG2      THR 117   7.055  -1.918 -28.079
  941   2HG2  THR 117          2HG2      THR 117   8.126  -2.021 -26.681
  942   3HG2  THR 117          1HG2      THR 117   8.580  -2.796 -28.200

  No H/Q in entry =         942
  Start of MODEL   22
    1    H1   MET   1           H        MET   1 -16.044 -15.160  -2.848
    2    H2   MET   1           HN2      MET   1 -15.830 -16.540  -3.814
    3    HA   MET   1           HA       MET   1 -15.439 -15.045  -5.758
    4   1HB   MET   1          1HB       MET   1 -16.676 -13.255  -4.180
    5   2HB   MET   1          2HB       MET   1 -15.007 -12.863  -3.768
    6   1HG   MET   1          1HG       MET   1 -14.580 -12.812  -6.309
    7   2HG   MET   1          2HG       MET   1 -16.335 -12.764  -6.477
    8   1HE   MET   1          1HE       MET   1 -15.650 -10.706  -7.874
    9   2HE   MET   1          3HE       MET   1 -15.166  -9.136  -7.222
   10   3HE   MET   1          2HE       MET   1 -13.994 -10.447  -7.331
   11    H    ALA   2           H        ALA   2 -13.545 -16.437  -5.731
   12    HA   ALA   2           HA       ALA   2 -11.309 -15.433  -3.998
   13   1HB   ALA   2          2HB       ALA   2 -11.753 -17.499  -3.052
   14   2HB   ALA   2          1HB       ALA   2 -12.422 -18.152  -4.549
   15   3HB   ALA   2          3HB       ALA   2 -10.674 -18.017  -4.347
   16    H    GLU   3           H        GLU   3 -11.112 -14.108  -6.216
   17    HA   GLU   3           HA       GLU   3  -9.543 -15.761  -8.172
   18   1HB   GLU   3          1HB       GLU   3 -11.464 -13.452  -8.406
   19   2HB   GLU   3          2HB       GLU   3 -10.273 -13.738  -9.677
   20   1HG   GLU   3          1HG       GLU   3 -11.101 -16.009 -10.001
   21   2HG   GLU   3          2HG       GLU   3 -12.224 -15.821  -8.654
   22    H    GLN   4           H        GLN   4  -9.845 -12.320  -7.059
   23    HA   GLN   4           HA       GLN   4  -6.860 -12.112  -7.322
   24   1HB   GLN   4          1HB       GLN   4  -9.179 -10.235  -7.753
   25   2HB   GLN   4          2HB       GLN   4  -7.565  -9.593  -7.449
   26   1HG   GLN   4          1HG       GLN   4  -6.723 -10.376  -9.449
   27   2HG   GLN   4          2HG       GLN   4  -7.830 -11.748  -9.499
   28   1HE2  GLN   4          1HE2      GLN   4  -9.958 -11.417 -10.473
   29   2HE2  GLN   4          2HE2      GLN   4 -10.353  -9.975 -11.276
   30    H    ARG   5           H        ARG   5  -5.707 -11.065  -5.561
   31    HA   ARG   5           HA       ARG   5  -7.340 -10.637  -3.075
   32   1HB   ARG   5          1HB       ARG   5  -5.581 -12.672  -3.579
   33   2HB   ARG   5          2HB       ARG   5  -4.511 -11.480  -2.842
   34   1HG   ARG   5          1HG       ARG   5  -5.556 -11.596  -0.801
   35   2HG   ARG   5          2HG       ARG   5  -7.138 -11.919  -1.513
   36   1HD   ARG   5          1HD       ARG   5  -6.770 -14.205  -1.628
   37   2HD   ARG   5          2HD       ARG   5  -5.014 -14.016  -1.804
   38    HE   ARG   5           HE       ARG   5  -6.417 -13.425   0.777
   39   1HH1  ARG   5          1HH1      ARG   5  -5.678 -15.403   2.035
   40   2HH1  ARG   5          2HH1      ARG   5  -3.962 -15.638   2.029
   41   1HH2  ARG   5          1HH2      ARG   5  -3.404 -13.436  -0.592
   42   2HH2  ARG   5          2HH2      ARG   5  -2.674 -14.525   0.541
   43    H    PHE   6           H        PHE   6  -6.523  -8.955  -1.638
   44    HA   PHE   6           HA       PHE   6  -4.314  -7.230  -2.683
   45   1HB   PHE   6          1HB       PHE   6  -7.195  -6.743  -2.769
   46   2HB   PHE   6          2HB       PHE   6  -6.362  -5.487  -1.861
   47    HD1  PHE   6           HD1      PHE   6  -7.191  -6.732  -5.098
   48    HD2  PHE   6           HD2      PHE   6  -4.276  -4.387  -2.976
   49    HE1  PHE   6           HE1      PHE   6  -6.505  -5.662  -7.224
   50    HE2  PHE   6           HE2      PHE   6  -3.593  -3.325  -5.103
   51    HZ   PHE   6           HZ       PHE   6  -4.705  -3.955  -7.228
   52    H    CYS   7           H        CYS   7  -3.084  -6.427  -0.917
   53    HA   CYS   7           HA       CYS   7  -4.422  -6.085   1.729
   54   1HB   CYS   7          1HB       CYS   7  -2.749  -7.597   2.813
   55   2HB   CYS   7          2HB       CYS   7  -3.764  -8.459   1.660
   56    HG   CYS   7           HG       CYS   7  -1.296  -9.136   1.147
   57    H    VAL   8           H        VAL   8  -2.805  -4.986   3.320
   58    HA   VAL   8           HA       VAL   8  -0.961  -3.247   1.738
   59    HB   VAL   8           HB       VAL   8  -1.172  -1.658   3.549
   60   1HG1  VAL   8          3HG1      VAL   8  -3.764  -2.939   2.689
   61   2HG1  VAL   8          2HG1      VAL   8  -3.731  -1.483   3.682
   62   3HG1  VAL   8          1HG1      VAL   8  -3.005  -1.471   2.076
   63   1HG2  VAL   8          3HG2      VAL   8  -2.076  -4.030   5.069
   64   2HG2  VAL   8          2HG2      VAL   8  -1.248  -2.581   5.628
   65   3HG2  VAL   8          1HG2      VAL   8  -2.993  -2.558   5.385
   66    H    ASP   9           H        ASP   9   1.178  -3.860   1.764
   67    HA   ASP   9           HA       ASP   9   2.197  -5.326   4.174
   68   1HB   ASP   9          1HB       ASP   9   2.303  -6.085   1.627
   69   2HB   ASP   9          2HB       ASP   9   3.699  -5.009   1.591
   70    H    TYR  10           H        TYR  10   3.957  -4.423   5.360
   71    HA   TYR  10           HA       TYR  10   4.623  -1.586   4.669
   72   1HB   TYR  10          1HB       TYR  10   4.854  -3.295   7.159
   73   2HB   TYR  10          2HB       TYR  10   5.548  -1.680   7.053
   74    HD1  TYR  10           HD1      TYR  10   2.516  -3.619   7.511
   75    HD2  TYR  10           HD2      TYR  10   4.042   0.290   6.571
   76    HE1  TYR  10           HE1      TYR  10   0.310  -2.627   8.050
   77    HE2  TYR  10           HE2      TYR  10   1.833   1.279   7.113
   78    HH   TYR  10           HH       TYR  10  -0.857  -0.133   7.138
   79    H    ALA  11           H        ALA  11   6.866  -0.896   4.592
   80    HA   ALA  11           HA       ALA  11   8.745  -3.117   3.877
   81   1HB   ALA  11          2HB       ALA  11   8.771  -0.115   3.404
   82   2HB   ALA  11          3HB       ALA  11   8.410  -1.365   2.213
   83   3HB   ALA  11          1HB       ALA  11  10.042  -1.211   2.862
   84    H    LYS  12           H        LYS  12  10.571  -3.535   5.164
   85    HA   LYS  12           HA       LYS  12  10.994  -1.710   7.512
   86   1HB   LYS  12          1HB       LYS  12  11.299  -4.685   7.054
   87   2HB   LYS  12          2HB       LYS  12  12.025  -3.885   8.450
   88   1HG   LYS  12          1HG       LYS  12   9.963  -3.350   9.388
   89   2HG   LYS  12          2HG       LYS  12   9.129  -3.400   7.835
   90   1HD   LYS  12          1HD       LYS  12   8.418  -5.377   8.914
   91   2HD   LYS  12          2HD       LYS  12   9.703  -5.926   7.837
   92   1HE   LYS  12          1HE       LYS  12  11.221  -6.242   9.593
   93   2HE   LYS  12          2HE       LYS  12  10.377  -5.098  10.656
   94   1HZ   LYS  12          3HZ       LYS  12   8.475  -6.608  10.690
   95   2HZ   LYS  12          2HZ       LYS  12   9.325  -7.720   9.726
   96   3HZ   LYS  12          1HZ       LYS  12   9.865  -7.367  11.299
   97    H    ARG  13           H        ARG  13  12.853  -4.013   5.409
   98    HA   ARG  13           HA       ARG  13  15.108  -2.037   5.459
   99   1HB   ARG  13          1HB       ARG  13  15.041  -4.997   6.058
  100   2HB   ARG  13          2HB       ARG  13  16.536  -4.203   5.558
  101   1HG   ARG  13          1HG       ARG  13  15.739  -2.466   7.462
  102   2HG   ARG  13          2HG       ARG  13  15.013  -3.943   8.099
  103   1HD   ARG  13          1HD       ARG  13  17.147  -4.065   9.049
  104   2HD   ARG  13          2HD       ARG  13  17.419  -4.954   7.537
  105    HE   ARG  13           HE       ARG  13  18.662  -3.105   6.721
  106   1HH1  ARG  13          1HH1      ARG  13  17.413  -0.727   6.684
  107   2HH1  ARG  13          2HH1      ARG  13  17.860   0.149   8.110
  108   1HH2  ARG  13          1HH2      ARG  13  18.996  -2.659   9.799
  109   2HH2  ARG  13          2HH2      ARG  13  18.756  -0.945   9.873
  110    H    GLY  14           H        GLY  14  16.527  -2.196   3.529
  111   1HA   GLY  14          2HA       GLY  14  15.801  -4.041   1.380
  112   2HA   GLY  14          1HA       GLY  14  17.037  -2.785   1.299
  113    H    THR  15           H        THR  15  16.027  -2.343  -0.904
  114    HA   THR  15           HA       THR  15  13.421  -0.886  -0.714
  115    HB   THR  15           HB       THR  15  15.997   0.107  -1.979
  116    HG1  THR  15           HG1      THR  15  16.204   0.348   0.175
  117   1HG2  THR  15          2HG2      THR  15  13.457   0.745  -2.734
  118   2HG2  THR  15          1HG2      THR  15  13.734   1.939  -1.466
  119   3HG2  THR  15          3HG2      THR  15  14.824   1.853  -2.850
  120    H    ALA  16           H        ALA  16  12.172  -1.006  -2.670
  121    HA   ALA  16           HA       ALA  16  13.449  -2.363  -5.002
  122   1HB   ALA  16          1HB       ALA  16  10.707  -3.230  -4.223
  123   2HB   ALA  16          3HB       ALA  16  12.046  -4.188  -4.856
  124   3HB   ALA  16          2HB       ALA  16  12.010  -3.741  -3.151
  125    H    GLY  17           H        GLY  17  12.624  -1.660  -7.020
  126   1HA   GLY  17          2HA       GLY  17  11.383  -0.343  -8.516
  127   2HA   GLY  17          1HA       GLY  17  11.252   0.816  -7.189
  128    H    CYS  18           H        CYS  18   9.079   1.306  -6.910
  129    HA   CYS  18           HA       CYS  18   7.248  -0.755  -6.076
  130   1HB   CYS  18          1HB       CYS  18   5.601   1.047  -6.025
  131   2HB   CYS  18          2HB       CYS  18   7.133   1.618  -5.391
  132    H    LYS  19           H        LYS  19   6.177  -2.221  -7.295
  133    HA   LYS  19           HA       LYS  19   6.206  -2.175 -10.196
  134   1HB   LYS  19          1HB       LYS  19   4.722  -3.768  -8.092
  135   2HB   LYS  19          2HB       LYS  19   4.426  -4.030  -9.810
  136   1HG   LYS  19          1HG       LYS  19   7.265  -3.974  -8.885
  137   2HG   LYS  19          2HG       LYS  19   6.305  -5.403  -8.502
  138   1HD   LYS  19          1HD       LYS  19   5.724  -5.667 -10.878
  139   2HD   LYS  19          2HD       LYS  19   6.657  -4.223 -11.274
  140   1HE   LYS  19          1HE       LYS  19   8.644  -5.455 -10.118
  141   2HE   LYS  19          2HE       LYS  19   7.662  -6.914 -10.354
  142   1HZ   LYS  19          3HZ       LYS  19   8.305  -4.942 -12.483
  143   2HZ   LYS  19          2HZ       LYS  19   9.094  -6.432 -12.280
  144   3HZ   LYS  19          1HZ       LYS  19   7.443  -6.390 -12.680
  145    H    LYS  20           H        LYS  20   4.284  -1.878 -11.626
  146    HA   LYS  20           HA       LYS  20   2.322  -0.772 -12.309
  147   1HB   LYS  20          1HB       LYS  20   1.683  -2.082 -10.024
  148   2HB   LYS  20          2HB       LYS  20   1.366  -0.423  -9.513
  149   1HG   LYS  20          1HG       LYS  20  -0.675  -0.850 -10.470
  150   2HG   LYS  20          2HG       LYS  20   0.181  -0.360 -11.932
  151   1HD   LYS  20          1HD       LYS  20   0.141  -3.234 -11.003
  152   2HD   LYS  20          2HD       LYS  20  -1.121  -2.575 -12.046
  153   1HE   LYS  20          1HE       LYS  20   0.703  -1.829 -13.642
  154   2HE   LYS  20          2HE       LYS  20   1.846  -2.760 -12.654
  155   1HZ   LYS  20          1HZ       LYS  20   0.294  -4.675 -12.882
  156   2HZ   LYS  20          3HZ       LYS  20  -0.585  -3.777 -14.021
  157   3HZ   LYS  20          2HZ       LYS  20   1.027  -4.207 -14.340
  158    H    CYS  21           H        CYS  21   4.818   0.790 -11.007
  159    HA   CYS  21           HA       CYS  21   3.844   3.392 -11.644
  160   1HB   CYS  21          1HB       CYS  21   3.925   4.343  -9.299
  161   2HB   CYS  21          2HB       CYS  21   2.541   3.330  -9.656
  162    H    LYS  22           H        LYS  22   5.560   4.990 -11.638
  163    HA   LYS  22           HA       LYS  22   8.257   3.770 -11.573
  164   1HB   LYS  22          1HB       LYS  22   7.154   5.453 -13.282
  165   2HB   LYS  22          2HB       LYS  22   7.715   6.671 -12.136
  166   1HG   LYS  22          1HG       LYS  22   9.573   6.495 -13.523
  167   2HG   LYS  22          2HG       LYS  22   9.977   5.314 -12.276
  168   1HD   LYS  22          1HD       LYS  22   8.666   3.647 -13.834
  169   2HD   LYS  22          2HD       LYS  22   9.013   4.846 -15.080
  170   1HE   LYS  22          1HE       LYS  22  11.365   4.594 -14.828
  171   2HE   LYS  22          2HE       LYS  22  11.186   3.754 -13.274
  172   1HZ   LYS  22          1HZ       LYS  22   9.925   2.015 -14.466
  173   2HZ   LYS  22          3HZ       LYS  22  10.292   2.778 -15.934
  174   3HZ   LYS  22          2HZ       LYS  22  11.539   2.126 -14.983
  175    H    GLU  23           H        GLU  23   8.610   3.488  -9.258
  176    HA   GLU  23           HA       GLU  23   9.804   5.824  -7.985
  177   1HB   GLU  23          1HB       GLU  23   7.114   5.706  -7.713
  178   2HB   GLU  23          2HB       GLU  23   7.596   4.732  -6.333
  179   1HG   GLU  23          1HG       GLU  23   8.439   6.486  -5.199
  180   2HG   GLU  23          2HG       GLU  23   9.175   7.189  -6.641
  181    H    LYS  24           H        LYS  24  10.137   5.029  -5.399
  182    HA   LYS  24           HA       LYS  24  11.041   2.156  -5.517
  183   1HB   LYS  24          1HB       LYS  24  12.469   4.717  -4.843
  184   2HB   LYS  24          2HB       LYS  24  12.962   3.225  -4.041
  185   1HG   LYS  24          1HG       LYS  24  14.290   3.003  -5.892
  186   2HG   LYS  24          2HG       LYS  24  12.815   2.346  -6.600
  187   1HD   LYS  24          1HD       LYS  24  12.259   4.441  -7.618
  188   2HD   LYS  24          2HD       LYS  24  13.501   5.291  -6.697
  189   1HE   LYS  24          1HE       LYS  24  15.242   3.894  -7.864
  190   2HE   LYS  24          2HE       LYS  24  13.950   3.234  -8.887
  191   1HZ   LYS  24          1HZ       LYS  24  14.514   6.129  -8.530
  192   2HZ   LYS  24          3HZ       LYS  24  15.003   5.215  -9.872
  193   3HZ   LYS  24          2HZ       LYS  24  13.349   5.449  -9.561
  194    H    ILE  25           H        ILE  25  11.044   1.096  -3.404
  195    HA   ILE  25           HA       ILE  25   9.289   2.482  -1.404
  196    HB   ILE  25           HB       ILE  25   9.910  -0.456  -1.883
  197   1HG1  ILE  25          1HG1      ILE  25   7.373   1.116  -2.433
  198   2HG1  ILE  25          2HG1      ILE  25   8.569   0.715  -3.667
  199   1HG2  ILE  25          3HG2      ILE  25   9.306   0.198   0.487
  200   2HG2  ILE  25          2HG2      ILE  25   7.761   0.778  -0.138
  201   3HG2  ILE  25          1HG2      ILE  25   8.180  -0.930  -0.270
  202   1HD1  ILE  25          2HD1      ILE  25   7.160  -1.338  -1.939
  203   2HD1  ILE  25          1HD1      ILE  25   6.653  -0.906  -3.572
  204   3HD1  ILE  25          3HD1      ILE  25   8.225  -1.661  -3.307
  205    H    VAL  26           H        VAL  26  10.335   3.196   0.448
  206    HA   VAL  26           HA       VAL  26  12.855   1.774   1.260
  207    HB   VAL  26           HB       VAL  26  13.185   4.058   0.354
  208   1HG1  VAL  26          2HG1      VAL  26  11.203   4.774   2.523
  209   2HG1  VAL  26          1HG1      VAL  26  12.320   5.961   1.853
  210   3HG1  VAL  26          3HG1      VAL  26  11.137   5.177   0.807
  211   1HG2  VAL  26          3HG2      VAL  26  14.486   3.065   2.364
  212   2HG2  VAL  26          2HG2      VAL  26  14.622   4.799   2.072
  213   3HG2  VAL  26          1HG2      VAL  26  13.558   4.200   3.344
  214    H    LYS  27           H        LYS  27  13.260   1.757   3.628
  215    HA   LYS  27           HA       LYS  27  11.173   0.765   5.218
  216   1HB   LYS  27          1HB       LYS  27  12.624   1.367   7.153
  217   2HB   LYS  27          2HB       LYS  27  13.553   0.672   5.826
  218   1HG   LYS  27          1HG       LYS  27  13.695   3.271   5.126
  219   2HG   LYS  27          2HG       LYS  27  13.542   3.457   6.873
  220   1HD   LYS  27          1HD       LYS  27  15.504   2.208   7.297
  221   2HD   LYS  27          2HD       LYS  27  15.517   1.518   5.674
  222   1HE   LYS  27          1HE       LYS  27  16.394   3.448   4.711
  223   2HE   LYS  27          2HE       LYS  27  15.719   4.502   5.970
  224   1HZ   LYS  27          3HZ       LYS  27  17.216   3.360   7.569
  225   2HZ   LYS  27          2HZ       LYS  27  17.960   2.574   6.259
  226   3HZ   LYS  27          1HZ       LYS  27  18.043   4.265   6.396
  227    H    GLY  28           H        GLY  28   9.391   1.655   6.280
  228   1HA   GLY  28          2HA       GLY  28   9.400   4.593   6.777
  229   2HA   GLY  28          1HA       GLY  28   8.387   3.429   7.620
  230    H    VAL  29           H        VAL  29   8.035   2.364   4.513
  231    HA   VAL  29           HA       VAL  29   5.789   4.271   4.001
  232    HB   VAL  29           HB       VAL  29   7.836   4.455   2.503
  233   1HG1  VAL  29          3HG1      VAL  29   8.261   1.956   2.426
  234   2HG1  VAL  29          2HG1      VAL  29   6.856   1.817   1.377
  235   3HG1  VAL  29          1HG1      VAL  29   8.257   2.746   0.852
  236   1HG2  VAL  29          3HG2      VAL  29   5.056   3.878   1.545
  237   2HG2  VAL  29          2HG2      VAL  29   5.950   5.398   1.534
  238   3HG2  VAL  29          1HG2      VAL  29   6.328   4.144   0.352
  239    H    CYS  30           H        CYS  30   3.772   3.314   3.594
  240    HA   CYS  30           HA       CYS  30   3.651   0.340   3.829
  241   1HB   CYS  30          1HB       CYS  30   2.241   1.832   5.253
  242   2HB   CYS  30          2HB       CYS  30   1.468   2.457   3.798
  243    HG   CYS  30           HG       CYS  30   1.308  -0.608   4.288
  244    H    ARG  31           H        ARG  31   3.133  -0.970   2.062
  245    HA   ARG  31           HA       ARG  31   2.137   0.413  -0.417
  246   1HB   ARG  31          1HB       ARG  31   3.609  -1.160  -1.666
  247   2HB   ARG  31          2HB       ARG  31   4.530  -0.131  -0.574
  248   1HG   ARG  31          1HG       ARG  31   3.626  -2.607   0.710
  249   2HG   ARG  31          2HG       ARG  31   4.649  -2.909  -0.691
  250   1HD   ARG  31          1HD       ARG  31   5.951  -0.815   0.634
  251   2HD   ARG  31          2HD       ARG  31   5.399  -1.883   1.939
  252    HE   ARG  31           HE       ARG  31   6.960  -2.876  -0.418
  253   1HH1  ARG  31          1HH1      ARG  31   9.031  -3.383   0.831
  254   2HH1  ARG  31          2HH1      ARG  31   8.788  -4.457   2.168
  255   1HH2  ARG  31          1HH2      ARG  31   5.343  -4.058   2.205
  256   2HH2  ARG  31          2HH2      ARG  31   6.700  -4.840   2.946
  257    H    ILE  32           H        ILE  32   0.601  -0.828  -1.683
  258    HA   ILE  32           HA       ILE  32  -0.564  -3.144  -0.185
  259    HB   ILE  32           HB       ILE  32  -1.863  -1.705  -2.511
  260   1HG1  ILE  32          1HG1      ILE  32  -2.108  -0.877   0.407
  261   2HG1  ILE  32          2HG1      ILE  32  -1.155   0.009  -0.779
  262   1HG2  ILE  32          1HG2      ILE  32  -2.689  -3.891  -1.392
  263   2HG2  ILE  32          3HG2      ILE  32  -3.162  -2.849  -0.050
  264   3HG2  ILE  32          2HG2      ILE  32  -3.855  -2.594  -1.652
  265   1HD1  ILE  32          1HD1      ILE  32  -4.088  -0.606  -1.178
  266   2HD1  ILE  32          3HD1      ILE  32  -3.520   0.879  -0.416
  267   3HD1  ILE  32          2HD1      ILE  32  -3.090   0.527  -2.089
  268    H    GLY  33           H        GLY  33  -0.167  -5.182  -1.032
  269   1HA   GLY  33          2HA       GLY  33   1.101  -6.518  -2.655
  270   2HA   GLY  33          1HA       GLY  33   0.705  -5.311  -3.879
  271    H    LYS  34           H        LYS  34  -0.403  -6.734  -5.329
  272    HA   LYS  34           HA       LYS  34  -3.003  -7.751  -4.249
  273   1HB   LYS  34          1HB       LYS  34  -3.160  -6.064  -6.005
  274   2HB   LYS  34          2HB       LYS  34  -2.081  -6.990  -7.045
  275   1HG   LYS  34          1HG       LYS  34  -3.828  -8.885  -6.841
  276   2HG   LYS  34          2HG       LYS  34  -4.911  -7.643  -6.216
  277   1HD   LYS  34          1HD       LYS  34  -4.812  -6.392  -8.237
  278   2HD   LYS  34          2HD       LYS  34  -3.417  -7.301  -8.820
  279   1HE   LYS  34          1HE       LYS  34  -4.707  -9.049  -9.562
  280   2HE   LYS  34          2HE       LYS  34  -5.849  -8.907  -8.210
  281   1HZ   LYS  34          2HZ       LYS  34  -5.613  -6.892 -10.378
  282   2HZ   LYS  34          1HZ       LYS  34  -6.751  -8.153 -10.399
  283   3HZ   LYS  34          3HZ       LYS  34  -6.811  -6.979  -9.176
  284    H    VAL  35           H        VAL  35  -2.933 -10.006  -3.910
  285    HA   VAL  35           HA       VAL  35  -0.930 -11.590  -5.462
  286    HB   VAL  35           HB       VAL  35  -2.726 -12.317  -3.117
  287   1HG1  VAL  35          1HG1      VAL  35  -0.504 -13.769  -4.559
  288   2HG1  VAL  35          3HG1      VAL  35  -0.941 -14.162  -2.896
  289   3HG1  VAL  35          2HG1      VAL  35  -2.128 -14.348  -4.187
  290   1HG2  VAL  35          1HG2      VAL  35  -0.686 -10.545  -3.031
  291   2HG2  VAL  35          3HG2      VAL  35  -1.050 -11.640  -1.699
  292   3HG2  VAL  35          2HG2      VAL  35   0.226 -12.042  -2.848
  293    H    VAL  36           H        VAL  36  -1.745 -12.261  -7.458
  294    HA   VAL  36           HA       VAL  36  -4.488 -13.476  -7.452
  295    HB   VAL  36           HB       VAL  36  -4.390 -11.309  -8.623
  296   1HG1  VAL  36          2HG1      VAL  36  -1.876 -12.393  -9.607
  297   2HG1  VAL  36          1HG1      VAL  36  -2.891 -11.843 -10.938
  298   3HG1  VAL  36          3HG1      VAL  36  -2.463 -10.735  -9.637
  299   1HG2  VAL  36          2HG2      VAL  36  -4.685 -13.802 -10.303
  300   2HG2  VAL  36          1HG2      VAL  36  -5.955 -12.811  -9.583
  301   3HG2  VAL  36          3HG2      VAL  36  -5.031 -12.201 -10.956
  302    HA   PRO  37           HA       PRO  37  -2.277 -17.041  -8.892
  303   1HB   PRO  37          1HB       PRO  37  -4.370 -18.524  -9.837
  304   2HB   PRO  37          2HB       PRO  37  -4.043 -18.314  -8.105
  305   1HG   PRO  37          1HG       PRO  37  -6.077 -17.003  -9.820
  306   2HG   PRO  37          2HG       PRO  37  -6.173 -17.491  -8.122
  307   1HD   PRO  37          1HD       PRO  37  -5.760 -14.908  -8.995
  308   2HD   PRO  37          2HD       PRO  37  -5.323 -15.515  -7.384
  309    H    ASN  38           H        ASN  38  -1.374 -17.742 -10.902
  310    HA   ASN  38           HA       ASN  38  -2.372 -16.281 -13.317
  311   1HB   ASN  38          1HB       ASN  38   0.233 -17.220 -12.262
  312   2HB   ASN  38          2HB       ASN  38   0.032 -17.383 -14.007
  313   1HD2  ASN  38          2HD2      ASN  38   0.977 -15.553 -14.996
  314   2HD2  ASN  38          1HD2      ASN  38   0.784 -13.961 -14.437
  315    HA   PRO  39           HA       PRO  39  -3.865 -20.355 -14.541
  316   1HB   PRO  39          1HB       PRO  39  -4.949 -19.612 -16.942
  317   2HB   PRO  39          2HB       PRO  39  -5.762 -19.331 -15.389
  318   1HG   PRO  39          1HG       PRO  39  -4.212 -17.440 -17.084
  319   2HG   PRO  39          2HG       PRO  39  -5.689 -17.166 -16.148
  320   1HD   PRO  39          1HD       PRO  39  -3.215 -16.384 -15.315
  321   2HD   PRO  39          2HD       PRO  39  -4.545 -16.785 -14.205
  322    H    PHE  40           H        PHE  40  -1.453 -20.905 -14.797
  323    HA   PHE  40           HA       PHE  40  -0.817 -21.265 -17.688
  324   1HB   PHE  40          1HB       PHE  40   0.210 -19.151 -16.902
  325   2HB   PHE  40          2HB       PHE  40   1.014 -20.031 -15.602
  326    HD1  PHE  40           HD1      PHE  40   2.809 -21.649 -16.093
  327    HD2  PHE  40           HD2      PHE  40   0.970 -19.322 -19.199
  328    HE1  PHE  40           HE1      PHE  40   4.669 -22.226 -17.625
  329    HE2  PHE  40           HE2      PHE  40   2.832 -19.899 -20.732
  330    HZ   PHE  40           HZ       PHE  40   4.682 -21.351 -19.946
  331    H    SER  41           H        SER  41   0.659 -21.816 -14.419
  332    HA   SER  41           HA       SER  41   1.497 -24.531 -15.334
  333   1HB   SER  41          1HB       SER  41   2.416 -22.519 -13.419
  334   2HB   SER  41          2HB       SER  41   2.351 -24.123 -12.699
  335    HG   SER  41           HG       SER  41   3.790 -23.216 -14.951
  336    H    GLU  42           H        GLU  42   1.001 -26.440 -13.949
  337    HA   GLU  42           HA       GLU  42  -1.724 -26.213 -12.756
  338   1HB   GLU  42          1HB       GLU  42   0.065 -28.544 -13.520
  339   2HB   GLU  42          2HB       GLU  42  -1.536 -28.737 -12.807
  340   1HG   GLU  42          1HG       GLU  42  -2.254 -28.728 -14.967
  341   2HG   GLU  42          2HG       GLU  42  -2.075 -26.979 -14.836
  342    H    SER  43           H        SER  43   1.622 -27.092 -11.788
  343    HA   SER  43           HA       SER  43   1.102 -28.180  -9.216
  344   1HB   SER  43          1HB       SER  43   3.387 -26.294  -9.427
  345   2HB   SER  43          2HB       SER  43   3.375 -27.993  -8.960
  346    HG   SER  43           HG       SER  43   4.346 -27.394 -11.072
  347    H    GLY  44           H        GLY  44   1.254 -24.723 -10.192
  348   1HA   GLY  44          2HA       GLY  44   0.620 -23.938  -7.394
  349   2HA   GLY  44          1HA       GLY  44  -0.522 -23.493  -8.664
  350    H    GLY  45           H        GLY  45   0.458 -21.334  -7.395
  351   1HA   GLY  45          2HA       GLY  45   2.352 -20.194  -9.383
  352   2HA   GLY  45          1HA       GLY  45   2.776 -20.077  -7.675
  353    H    ASP  46           H        ASP  46   2.490 -17.860  -7.272
  354    HA   ASP  46           HA       ASP  46  -0.129 -16.649  -8.094
  355   1HB   ASP  46          1HB       ASP  46  -0.204 -15.643  -5.816
  356   2HB   ASP  46          2HB       ASP  46  -0.216 -17.405  -5.752
  357    H    MET  47           H        MET  47  -0.015 -14.326  -8.458
  358    HA   MET  47           HA       MET  47   2.796 -13.302  -8.736
  359   1HB   MET  47          1HB       MET  47   1.128 -13.729 -10.721
  360   2HB   MET  47          2HB       MET  47   0.382 -12.225 -10.179
  361   1HG   MET  47          1HG       MET  47   2.291 -10.954 -10.653
  362   2HG   MET  47          2HG       MET  47   3.358 -12.357 -10.598
  363   1HE   MET  47          1HE       MET  47   1.655  -9.898 -12.349
  364   2HE   MET  47          3HE       MET  47   1.441 -10.373 -14.039
  365   3HE   MET  47          2HE       MET  47   0.246 -10.840 -12.832
  366    H    LYS  48           H        LYS  48   3.327 -11.478  -7.516
  367    HA   LYS  48           HA       LYS  48   1.101  -9.739  -6.533
  368   1HB   LYS  48          1HB       LYS  48   2.174  -9.793  -4.286
  369   2HB   LYS  48          2HB       LYS  48   1.636 -11.393  -4.794
  370   1HG   LYS  48          1HG       LYS  48   3.910 -11.976  -5.486
  371   2HG   LYS  48          2HG       LYS  48   4.472 -10.354  -5.080
  372   1HD   LYS  48          1HD       LYS  48   5.046 -11.680  -3.197
  373   2HD   LYS  48          2HD       LYS  48   3.586 -10.814  -2.713
  374   1HE   LYS  48          1HE       LYS  48   2.226 -12.731  -2.938
  375   2HE   LYS  48          2HE       LYS  48   3.408 -13.557  -3.973
  376   1HZ   LYS  48          2HZ       LYS  48   4.960 -13.583  -2.116
  377   2HZ   LYS  48          1HZ       LYS  48   3.812 -12.825  -1.119
  378   3HZ   LYS  48          3HZ       LYS  48   3.524 -14.391  -1.702
  379    H    GLU  49           H        GLU  49   1.651  -7.535  -6.623
  380    HA   GLU  49           HA       GLU  49   4.521  -6.876  -7.223
  381   1HB   GLU  49          1HB       GLU  49   1.911  -6.183  -8.467
  382   2HB   GLU  49          2HB       GLU  49   3.069  -4.859  -8.337
  383   1HG   GLU  49          1HG       GLU  49   3.678  -5.789 -10.385
  384   2HG   GLU  49          2HG       GLU  49   4.763  -6.642  -9.287
  385    H    TRP  50           H        TRP  50   5.270  -4.806  -6.267
  386    HA   TRP  50           HA       TRP  50   3.599  -3.985  -3.914
  387   1HB   TRP  50          1HB       TRP  50   6.553  -3.724  -4.544
  388   2HB   TRP  50          2HB       TRP  50   5.796  -3.103  -3.081
  389    HD1  TRP  50           HD1      TRP  50   7.859  -5.762  -3.891
  390    HE1  TRP  50           HE1      TRP  50   7.410  -7.890  -2.524
  391    HE3  TRP  50           HE3      TRP  50   3.173  -4.700  -2.118
  392    HZ2  TRP  50           HZ2      TRP  50   5.330  -9.010  -0.895
  393    HZ3  TRP  50           HZ3      TRP  50   1.985  -6.314  -0.661
  394    HH2  TRP  50           HH2      TRP  50   3.061  -8.466  -0.048
  395    H    TYR  51           H        TYR  51   2.435  -2.088  -4.334
  396    HA   TYR  51           HA       TYR  51   3.934   0.064  -5.777
  397   1HB   TYR  51          1HB       TYR  51   1.354   0.800  -6.212
  398   2HB   TYR  51          2HB       TYR  51   2.294  -0.129  -7.351
  399    HD1  TYR  51           HD1      TYR  51  -0.466  -0.138  -4.996
  400    HD2  TYR  51           HD2      TYR  51   1.985  -2.581  -7.536
  401    HE1  TYR  51           HE1      TYR  51  -2.163  -1.963  -4.893
  402    HE2  TYR  51           HE2      TYR  51   0.301  -4.398  -7.426
  403    HH   TYR  51           HH       TYR  51  -2.421  -4.313  -6.961
  404    H    HIS  52           H        HIS  52   2.910   2.302  -5.209
  405    HA   HIS  52           HA       HIS  52   2.824   2.456  -2.249
  406   1HB   HIS  52          1HB       HIS  52   2.838   4.455  -4.520
  407   2HB   HIS  52          2HB       HIS  52   2.817   4.934  -2.824
  408    HD2  HIS  52           HD2      HIS  52   5.180   4.006  -1.333
  409    HE1  HIS  52           HE1      HIS  52   7.548   3.607  -4.814
  410    HE2  HIS  52           HE2      HIS  52   7.556   3.693  -2.304
  411    H    ILE  53           H        ILE  53   1.137   4.432  -1.576
  412    HA   ILE  53           HA       ILE  53  -1.539   3.322  -2.211
  413    HB   ILE  53           HB       ILE  53  -0.841   5.721  -0.476
  414   1HG1  ILE  53          1HG1      ILE  53   0.479   3.783   0.321
  415   2HG1  ILE  53          2HG1      ILE  53  -0.822   4.149   1.447
  416   1HG2  ILE  53          2HG2      ILE  53  -3.230   5.322  -1.128
  417   2HG2  ILE  53          1HG2      ILE  53  -3.136   3.745  -0.351
  418   3HG2  ILE  53          3HG2      ILE  53  -2.955   5.209   0.611
  419   1HD1  ILE  53          2HD1      ILE  53  -2.214   2.397   0.328
  420   2HD1  ILE  53          1HD1      ILE  53  -0.811   1.969  -0.652
  421   3HD1  ILE  53          3HD1      ILE  53  -0.764   1.749   1.098
  422    H    LYS  54           H        LYS  54   0.233   6.444  -2.510
  423    HA   LYS  54           HA       LYS  54  -1.844   7.787  -4.017
  424   1HB   LYS  54          1HB       LYS  54   0.354   8.661  -2.825
  425   2HB   LYS  54          2HB       LYS  54   1.087   8.362  -4.402
  426   1HG   LYS  54          1HG       LYS  54  -0.833   9.728  -5.396
  427   2HG   LYS  54          2HG       LYS  54  -1.206  10.220  -3.744
  428   1HD   LYS  54          1HD       LYS  54   0.981  11.210  -3.470
  429   2HD   LYS  54          2HD       LYS  54   1.523  10.555  -5.016
  430   1HE   LYS  54          1HE       LYS  54   0.965  12.786  -5.564
  431   2HE   LYS  54          2HE       LYS  54  -0.516  11.908  -5.994
  432   1HZ   LYS  54          1HZ       LYS  54  -1.320  12.314  -3.715
  433   2HZ   LYS  54          3HZ       LYS  54   0.045  13.274  -3.415
  434   3HZ   LYS  54          2HZ       LYS  54  -1.088  13.756  -4.586
  435    H    CYS  55           H        CYS  55   0.984   5.805  -4.991
  436    HA   CYS  55           HA       CYS  55   0.710   6.179  -7.834
  437   1HB   CYS  55          1HB       CYS  55   1.790   3.934  -6.106
  438   2HB   CYS  55          2HB       CYS  55   1.833   3.840  -7.858
  439    H    MET  56           H        MET  56  -0.641   3.685  -5.637
  440    HA   MET  56           HA       MET  56  -2.131   2.319  -7.729
  441   1HB   MET  56          1HB       MET  56  -1.408   1.586  -5.295
  442   2HB   MET  56          2HB       MET  56  -2.952   2.305  -4.835
  443   1HG   MET  56          1HG       MET  56  -2.766   0.319  -7.098
  444   2HG   MET  56          2HG       MET  56  -2.942  -0.212  -5.426
  445   1HE   MET  56          3HE       MET  56  -4.542  -1.221  -7.203
  446   2HE   MET  56          2HE       MET  56  -6.239  -0.973  -6.802
  447   3HE   MET  56          1HE       MET  56  -5.553  -0.187  -8.222
  448    H    PHE  57           H        PHE  57  -3.084   4.712  -5.220
  449    HA   PHE  57           HA       PHE  57  -5.837   4.864  -6.115
  450   1HB   PHE  57          1HB       PHE  57  -4.035   6.430  -4.317
  451   2HB   PHE  57          2HB       PHE  57  -5.501   7.229  -4.882
  452    HD1  PHE  57           HD1      PHE  57  -4.143   4.521  -2.805
  453    HD2  PHE  57           HD2      PHE  57  -7.736   6.298  -4.353
  454    HE1  PHE  57           HE1      PHE  57  -5.477   3.250  -1.153
  455    HE2  PHE  57           HE2      PHE  57  -9.072   5.026  -2.696
  456    HZ   PHE  57           HZ       PHE  57  -7.945   3.503  -1.098
  457    H    GLU  58           H        GLU  58  -2.852   6.486  -7.207
  458    HA   GLU  58           HA       GLU  58  -4.304   8.489  -8.798
  459   1HB   GLU  58          1HB       GLU  58  -1.437   7.521  -8.638
  460   2HB   GLU  58          2HB       GLU  58  -1.939   8.715  -9.835
  461   1HG   GLU  58          1HG       GLU  58  -2.736   9.178  -6.994
  462   2HG   GLU  58          2HG       GLU  58  -1.050   9.456  -7.431
  463    H    LYS  59           H        LYS  59  -2.677   5.360  -9.453
  464    HA   LYS  59           HA       LYS  59  -3.240   5.366 -12.306
  465   1HB   LYS  59          1HB       LYS  59  -1.551   3.918 -11.066
  466   2HB   LYS  59          2HB       LYS  59  -2.912   2.968 -10.468
  467   1HG   LYS  59          1HG       LYS  59  -2.350   1.761 -12.375
  468   2HG   LYS  59          2HG       LYS  59  -3.562   2.864 -13.028
  469   1HD   LYS  59          1HD       LYS  59  -1.870   4.339 -13.892
  470   2HD   LYS  59          2HD       LYS  59  -0.595   3.469 -13.038
  471   1HE   LYS  59          1HE       LYS  59  -0.467   2.652 -15.274
  472   2HE   LYS  59          2HE       LYS  59  -1.385   1.400 -14.415
  473   1HZ   LYS  59          1HZ       LYS  59  -3.430   2.652 -15.028
  474   2HZ   LYS  59          3HZ       LYS  59  -2.481   3.639 -16.029
  475   3HZ   LYS  59          2HZ       LYS  59  -2.614   1.977 -16.356
  476    H    LEU  60           H        LEU  60  -4.989   4.110  -9.441
  477    HA   LEU  60           HA       LEU  60  -7.120   2.748 -10.771
  478   1HB   LEU  60          1HB       LEU  60  -6.516   3.028  -8.234
  479   2HB   LEU  60          2HB       LEU  60  -7.536   4.464  -8.315
  480    HG   LEU  60           HG       LEU  60  -9.255   2.827  -9.452
  481   1HD1  LEU  60          2HD1      LEU  60  -7.246   1.039  -9.189
  482   2HD1  LEU  60          1HD1      LEU  60  -8.062   0.783  -7.646
  483   3HD1  LEU  60          3HD1      LEU  60  -8.945   0.571  -9.158
  484   1HD2  LEU  60          2HD2      LEU  60  -9.006   3.916  -6.959
  485   2HD2  LEU  60          1HD2      LEU  60 -10.362   2.902  -7.451
  486   3HD2  LEU  60          3HD2      LEU  60  -9.013   2.198  -6.562
  487    H    GLU  61           H        GLU  61  -6.749   6.236  -9.976
  488    HA   GLU  61           HA       GLU  61  -9.327   7.103 -10.908
  489   1HB   GLU  61          1HB       GLU  61  -7.248   8.324  -9.715
  490   2HB   GLU  61          2HB       GLU  61  -6.908   8.806 -11.376
  491   1HG   GLU  61          1HG       GLU  61  -9.165   9.741 -11.595
  492   2HG   GLU  61          2HG       GLU  61  -9.556   9.215  -9.957
  493    H    ARG  62           H        ARG  62  -6.289   6.421 -12.665
  494    HA   ARG  62           HA       ARG  62  -7.674   7.076 -15.240
  495   1HB   ARG  62          1HB       ARG  62  -4.790   6.913 -14.334
  496   2HB   ARG  62          2HB       ARG  62  -5.221   6.980 -16.045
  497   1HG   ARG  62          1HG       ARG  62  -6.731   9.024 -15.147
  498   2HG   ARG  62          2HG       ARG  62  -5.431   9.090 -13.957
  499   1HD   ARG  62          1HD       ARG  62  -4.744  10.504 -15.784
  500   2HD   ARG  62          2HD       ARG  62  -3.806   9.007 -15.950
  501    HE   ARG  62           HE       ARG  62  -6.305   9.576 -17.502
  502   1HH1  ARG  62          1HH1      ARG  62  -6.459   7.291 -18.518
  503   2HH1  ARG  62          2HH1      ARG  62  -5.042   6.861 -19.416
  504   1HH2  ARG  62          1HH2      ARG  62  -3.079   9.356 -18.020
  505   2HH2  ARG  62          2HH2      ARG  62  -3.128   8.031 -19.134
  506    H    ALA  63           H        ALA  63  -8.082   4.484 -13.714
  507    HA   ALA  63           HA       ALA  63  -6.567   2.513 -15.353
  508   1HB   ALA  63          3HB       ALA  63  -7.221   2.489 -12.770
  509   2HB   ALA  63          1HB       ALA  63  -7.165   0.990 -13.698
  510   3HB   ALA  63          2HB       ALA  63  -8.711   1.778 -13.390
  511    H    ARG  64           H        ARG  64  -7.930   0.640 -16.315
  512    HA   ARG  64           HA       ARG  64  -9.813   1.681 -18.228
  513   1HB   ARG  64          1HB       ARG  64  -9.132  -1.101 -17.246
  514   2HB   ARG  64          2HB       ARG  64 -10.319  -0.836 -18.522
  515   1HG   ARG  64          1HG       ARG  64  -8.723   0.057 -19.997
  516   2HG   ARG  64          2HG       ARG  64  -7.588   0.422 -18.697
  517   1HD   ARG  64          1HD       ARG  64  -7.788  -2.277 -18.399
  518   2HD   ARG  64          2HD       ARG  64  -8.019  -2.126 -20.153
  519    HE   ARG  64           HE       ARG  64  -5.858  -1.024 -20.306
  520   1HH1  ARG  64          1HH1      ARG  64  -4.643  -3.219 -19.059
  521   2HH1  ARG  64          2HH1      ARG  64  -3.974  -2.616 -17.579
  522   1HH2  ARG  64          1HH2      ARG  64  -5.909   0.262 -17.569
  523   2HH2  ARG  64          2HH2      ARG  64  -4.692  -0.645 -16.737
  524    H    ALA  65           H        ALA  65 -12.159   1.213 -18.389
  525    HA   ALA  65           HA       ALA  65 -13.651   1.832 -16.032
  526   1HB   ALA  65          2HB       ALA  65 -14.271   1.881 -18.579
  527   2HB   ALA  65          3HB       ALA  65 -15.545   1.549 -17.405
  528   3HB   ALA  65          1HB       ALA  65 -14.810   0.224 -18.306
  529    H    THR  66           H        THR  66 -12.724  -1.369 -17.363
  530    HA   THR  66           HA       THR  66 -14.351  -2.735 -15.271
  531    HB   THR  66           HB       THR  66 -13.469  -4.784 -16.490
  532    HG1  THR  66           HG1      THR  66 -12.291  -4.447 -18.325
  533   1HG2  THR  66          2HG2      THR  66 -15.589  -3.384 -17.065
  534   2HG2  THR  66          1HG2      THR  66 -14.655  -2.843 -18.459
  535   3HG2  THR  66          3HG2      THR  66 -15.010  -4.558 -18.246
  536    H    THR  67           H        THR  67 -12.550  -1.310 -13.858
  537    HA   THR  67           HA       THR  67 -10.285  -3.190 -13.272
  538    HB   THR  67           HB       THR  67  -9.326  -0.986 -12.290
  539    HG1  THR  67           HG1      THR  67 -10.466   0.765 -12.626
  540   1HG2  THR  67          1HG2      THR  67  -8.641  -2.092 -14.448
  541   2HG2  THR  67          3HG2      THR  67  -9.824  -1.080 -15.277
  542   3HG2  THR  67          2HG2      THR  67  -8.455  -0.338 -14.449
  543    H    LYS  68           H        LYS  68  -9.670  -3.245 -10.890
  544    HA   LYS  68           HA       LYS  68 -12.136  -3.170  -9.205
  545   1HB   LYS  68          1HB       LYS  68 -10.164  -5.027  -9.507
  546   2HB   LYS  68          2HB       LYS  68  -9.542  -4.135  -8.119
  547   1HG   LYS  68          1HG       LYS  68 -11.919  -4.368  -7.139
  548   2HG   LYS  68          2HG       LYS  68 -12.167  -5.602  -8.376
  549   1HD   LYS  68          1HD       LYS  68 -11.404  -6.815  -6.490
  550   2HD   LYS  68          2HD       LYS  68  -9.974  -6.649  -7.510
  551   1HE   LYS  68          1HE       LYS  68  -8.978  -5.086  -6.093
  552   2HE   LYS  68          2HE       LYS  68 -10.535  -4.538  -5.440
  553   1HZ   LYS  68          1HZ       LYS  68 -10.811  -6.778  -4.469
  554   2HZ   LYS  68          3HZ       LYS  68  -9.239  -7.171  -4.969
  555   3HZ   LYS  68          2HZ       LYS  68  -9.482  -5.942  -3.822
  556    H    LYS  69           H        LYS  69 -12.425  -1.552  -7.658
  557    HA   LYS  69           HA       LYS  69 -10.087   0.257  -7.137
  558   1HB   LYS  69          1HB       LYS  69 -13.091   0.693  -7.110
  559   2HB   LYS  69          2HB       LYS  69 -11.912   1.924  -6.660
  560   1HG   LYS  69          1HG       LYS  69 -10.847   1.597  -8.936
  561   2HG   LYS  69          2HG       LYS  69 -12.233   0.592  -9.360
  562   1HD   LYS  69          1HD       LYS  69 -12.726   3.316  -8.209
  563   2HD   LYS  69          2HD       LYS  69 -12.253   3.179  -9.903
  564   1HE   LYS  69          1HE       LYS  69 -14.248   2.216 -10.515
  565   2HE   LYS  69          2HE       LYS  69 -14.390   1.315  -8.992
  566   1HZ   LYS  69          2HZ       LYS  69 -14.723   4.255  -9.290
  567   2HZ   LYS  69          1HZ       LYS  69 -15.992   3.142  -9.094
  568   3HZ   LYS  69          3HZ       LYS  69 -14.872   3.378  -7.842
  569    H    ILE  70           H        ILE  70  -9.935   1.148  -4.896
  570    HA   ILE  70           HA       ILE  70 -11.054  -0.762  -2.870
  571    HB   ILE  70           HB       ILE  70  -8.528   0.915  -3.039
  572   1HG1  ILE  70          1HG1      ILE  70  -9.003  -2.067  -2.707
  573   2HG1  ILE  70          2HG1      ILE  70  -8.592  -1.273  -4.225
  574   1HG2  ILE  70          1HG2      ILE  70  -9.944  -0.089  -0.661
  575   2HG2  ILE  70          3HG2      ILE  70  -8.267  -0.630  -0.758
  576   3HG2  ILE  70          2HG2      ILE  70  -8.640   1.094  -0.778
  577   1HD1  ILE  70          2HD1      ILE  70  -6.771  -0.613  -2.001
  578   2HD1  ILE  70          1HD1      ILE  70  -6.757  -2.317  -2.464
  579   3HD1  ILE  70          3HD1      ILE  70  -6.399  -1.073  -3.662
  580    H    GLU  71           H        GLU  71 -12.708   0.132  -1.644
  581    HA   GLU  71           HA       GLU  71 -12.725   3.112  -1.274
  582   1HB   GLU  71          1HB       GLU  71 -14.573   1.849  -2.565
  583   2HB   GLU  71          2HB       GLU  71 -15.057   1.205  -0.995
  584   1HG   GLU  71          1HG       GLU  71 -15.144   3.613  -0.170
  585   2HG   GLU  71          2HG       GLU  71 -14.981   4.104  -1.857
  586    H    ASP  72           H        ASP  72 -13.263   3.893   0.910
  587    HA   ASP  72           HA       ASP  72 -13.084   3.818   3.261
  588   1HB   ASP  72          1HB       ASP  72 -15.078   2.163   2.391
  589   2HB   ASP  72          2HB       ASP  72 -14.102   1.035   3.332
  590    H    LEU  73           H        LEU  73 -12.483   1.727   5.057
  591    HA   LEU  73           HA       LEU  73  -9.966   0.508   3.993
  592   1HB   LEU  73          1HB       LEU  73 -10.084   2.807   5.524
  593   2HB   LEU  73          2HB       LEU  73  -9.838   1.557   6.745
  594    HG   LEU  73           HG       LEU  73  -7.955   0.681   5.228
  595   1HD1  LEU  73          2HD1      LEU  73  -8.957   2.404   3.408
  596   2HD1  LEU  73          1HD1      LEU  73  -7.724   3.434   4.136
  597   3HD1  LEU  73          3HD1      LEU  73  -7.270   1.892   3.411
  598   1HD2  LEU  73          2HD2      LEU  73  -7.826   2.207   7.360
  599   2HD2  LEU  73          1HD2      LEU  73  -6.392   2.019   6.350
  600   3HD2  LEU  73          3HD2      LEU  73  -7.387   3.468   6.208
  601    H    THR  74           H        THR  74  -9.109  -0.701   6.396
  602    HA   THR  74           HA       THR  74  -9.464  -2.711   7.568
  603    HB   THR  74           HB       THR  74 -11.700  -2.527   8.896
  604    HG1  THR  74           HG1      THR  74 -12.791  -1.131   7.567
  605   1HG2  THR  74          3HG2      THR  74  -9.196  -1.547   9.313
  606   2HG2  THR  74          2HG2      THR  74 -10.139  -0.058   9.363
  607   3HG2  THR  74          1HG2      THR  74 -10.517  -1.378  10.469
  608    H    GLU  75           H        GLU  75 -10.078  -3.045   4.787
  609    HA   GLU  75           HA       GLU  75 -12.541  -4.761   4.870
  610   1HB   GLU  75          1HB       GLU  75 -12.419  -2.753   3.325
  611   2HB   GLU  75          2HB       GLU  75 -11.103  -3.568   2.480
  612   1HG   GLU  75          1HG       GLU  75 -12.934  -4.262   1.219
  613   2HG   GLU  75          2HG       GLU  75 -12.811  -5.578   2.387
  614    H    LEU  76           H        LEU  76  -9.314  -4.610   3.212
  615    HA   LEU  76           HA       LEU  76  -8.945  -7.505   3.806
  616   1HB   LEU  76          1HB       LEU  76  -8.471  -7.928   1.396
  617   2HB   LEU  76          2HB       LEU  76 -10.128  -7.388   1.650
  618    HG   LEU  76           HG       LEU  76  -7.991  -5.357   1.043
  619   1HD1  LEU  76          2HD1      LEU  76  -7.865  -7.232  -0.659
  620   2HD1  LEU  76          1HD1      LEU  76  -9.536  -6.864  -1.080
  621   3HD1  LEU  76          3HD1      LEU  76  -8.279  -5.653  -1.326
  622   1HD2  LEU  76          2HD2      LEU  76 -10.807  -5.343   1.429
  623   2HD2  LEU  76          1HD2      LEU  76  -9.770  -3.995   0.971
  624   3HD2  LEU  76          3HD2      LEU  76 -10.524  -4.988  -0.275
  625    H    GLU  77           H        GLU  77  -7.426  -5.891   5.207
  626    HA   GLU  77           HA       GLU  77  -4.799  -5.998   3.828
  627   1HB   GLU  77          1HB       GLU  77  -4.326  -3.686   4.447
  628   2HB   GLU  77          2HB       GLU  77  -5.776  -3.758   3.462
  629   1HG   GLU  77          1HG       GLU  77  -6.944  -3.936   5.861
  630   2HG   GLU  77          2HG       GLU  77  -5.478  -3.099   6.361
  631    H    GLY  78           H        GLY  78  -3.080  -6.514   5.277
  632   1HA   GLY  78          2HA       GLY  78  -2.261  -7.514   7.262
  633   2HA   GLY  78          1HA       GLY  78  -3.879  -7.389   7.955
  634    H    TRP  79           H        TRP  79  -4.536  -4.931   8.366
  635    HA   TRP  79           HA       TRP  79  -2.212  -3.239   9.086
  636   1HB   TRP  79          1HB       TRP  79  -3.845  -1.471   9.327
  637   2HB   TRP  79          2HB       TRP  79  -4.246  -2.365   7.868
  638    HD1  TRP  79           HD1      TRP  79  -6.443  -3.893   7.920
  639    HE1  TRP  79           HE1      TRP  79  -8.529  -3.841   9.428
  640    HE3  TRP  79           HE3      TRP  79  -4.694  -0.997  11.748
  641    HZ2  TRP  79           HZ2      TRP  79  -9.354  -2.718  11.916
  642    HZ3  TRP  79           HZ3      TRP  79  -6.159  -0.449  13.672
  643    HH2  TRP  79           HH2      TRP  79  -8.486  -1.305  13.757
  644    H    GLU  80           H        GLU  80  -4.918  -4.933  10.716
  645    HA   GLU  80           HA       GLU  80  -4.347  -3.948  13.372
  646   1HB   GLU  80          1HB       GLU  80  -6.444  -5.116  12.595
  647   2HB   GLU  80          2HB       GLU  80  -5.536  -6.628  12.580
  648   1HG   GLU  80          1HG       GLU  80  -4.940  -6.107  15.023
  649   2HG   GLU  80          2HG       GLU  80  -6.208  -4.882  14.952
  650    H    GLU  81           H        GLU  81  -2.763  -6.472  11.436
  651    HA   GLU  81           HA       GLU  81  -1.381  -7.535  13.850
  652   1HB   GLU  81          1HB       GLU  81  -2.399  -8.908  11.906
  653   2HB   GLU  81          2HB       GLU  81  -0.987  -8.397  10.982
  654   1HG   GLU  81          1HG       GLU  81   0.507  -9.383  12.637
  655   2HG   GLU  81          2HG       GLU  81  -0.863  -9.800  13.667
  656    H    LEU  82           H        LEU  82  -0.661  -5.537  10.961
  657    HA   LEU  82           HA       LEU  82   2.234  -5.606  11.646
  658   1HB   LEU  82          1HB       LEU  82   0.612  -4.495   9.342
  659   2HB   LEU  82          2HB       LEU  82   2.345  -4.206   9.500
  660    HG   LEU  82           HG       LEU  82   1.103  -6.969   9.515
  661   1HD1  LEU  82          2HD1      LEU  82   0.918  -5.490   7.349
  662   2HD1  LEU  82          1HD1      LEU  82   2.645  -5.823   7.204
  663   3HD1  LEU  82          3HD1      LEU  82   1.489  -7.155   7.219
  664   1HD2  LEU  82          3HD2      LEU  82   3.932  -5.898   9.319
  665   2HD2  LEU  82          2HD2      LEU  82   3.265  -6.941  10.575
  666   3HD2  LEU  82          1HD2      LEU  82   3.510  -7.569   8.945
  667    H    GLU  83           H        GLU  83   0.342  -2.720  10.542
  668    HA   GLU  83           HA       GLU  83   1.354  -1.314  12.992
  669   1HB   GLU  83          1HB       GLU  83   1.395  -0.658  10.065
  670   2HB   GLU  83          2HB       GLU  83   1.314   0.664  11.230
  671   1HG   GLU  83          1HG       GLU  83   3.271  -0.776  12.379
  672   2HG   GLU  83          2HG       GLU  83   3.522  -1.268  10.703
  673    H    ASP  84           H        ASP  84  -0.245  -0.210  14.151
  674    HA   ASP  84           HA       ASP  84  -3.009  -0.227  13.055
  675   1HB   ASP  84          1HB       ASP  84  -1.772   0.478  15.733
  676   2HB   ASP  84          2HB       ASP  84  -3.495   0.665  15.403
  677    H    ASN  85           H        ASN  85  -0.585   2.153  14.209
  678    HA   ASN  85           HA       ASN  85  -2.180   4.506  13.718
  679   1HB   ASN  85          1HB       ASN  85   0.764   3.900  13.933
  680   2HB   ASN  85          2HB       ASN  85   0.248   5.513  13.438
  681   1HD2  ASN  85          2HD2      ASN  85  -1.525   6.520  14.998
  682   2HD2  ASN  85          1HD2      ASN  85  -1.304   6.217  16.653
  683    H    GLU  86           H        GLU  86   0.067   2.675  11.607
  684    HA   GLU  86           HA       GLU  86   0.027   4.405   9.337
  685   1HB   GLU  86          1HB       GLU  86   0.275   1.414   9.696
  686   2HB   GLU  86          2HB       GLU  86   0.319   2.133   8.087
  687   1HG   GLU  86          1HG       GLU  86   2.125   2.974  10.371
  688   2HG   GLU  86          2HG       GLU  86   2.594   1.838   9.106
  689    H    LYS  87           H        LYS  87  -2.312   1.891  10.351
  690    HA   LYS  87           HA       LYS  87  -4.000   1.873   8.056
  691   1HB   LYS  87          1HB       LYS  87  -4.141   0.379  10.089
  692   2HB   LYS  87          2HB       LYS  87  -4.862   1.727  10.967
  693   1HG   LYS  87          1HG       LYS  87  -6.347   1.564   8.588
  694   2HG   LYS  87          2HG       LYS  87  -6.102  -0.112   9.073
  695   1HD   LYS  87          1HD       LYS  87  -7.926   0.280  10.390
  696   2HD   LYS  87          2HD       LYS  87  -6.732   0.995  11.474
  697   1HE   LYS  87          1HE       LYS  87  -7.194   3.218  10.645
  698   2HE   LYS  87          2HE       LYS  87  -8.216   2.574   9.345
  699   1HZ   LYS  87          3HZ       LYS  87  -8.719   2.041  12.220
  700   2HZ   LYS  87          2HZ       LYS  87  -9.448   3.326  11.380
  701   3HZ   LYS  87          1HZ       LYS  87  -9.750   1.721  10.912
  702    H    GLU  88           H        GLU  88  -3.925   4.155  10.812
  703    HA   GLU  88           HA       GLU  88  -6.298   5.638  10.140
  704   1HB   GLU  88          1HB       GLU  88  -4.514   5.702  12.180
  705   2HB   GLU  88          2HB       GLU  88  -3.932   7.087  11.254
  706   1HG   GLU  88          1HG       GLU  88  -6.196   8.061  11.270
  707   2HG   GLU  88          2HG       GLU  88  -6.790   6.674  12.183
  708    H    GLN  89           H        GLN  89  -2.868   6.113   9.139
  709    HA   GLN  89           HA       GLN  89  -3.355   8.474   7.546
  710   1HB   GLN  89          1HB       GLN  89  -1.233   6.325   7.592
  711   2HB   GLN  89          2HB       GLN  89  -1.185   7.607   6.381
  712   1HG   GLN  89          1HG       GLN  89  -1.564   9.147   8.526
  713   2HG   GLN  89          2HG       GLN  89  -0.805   7.779   9.341
  714   1HE2  GLN  89          1HE2      GLN  89  -0.172  10.560   7.325
  715   2HE2  GLN  89          2HE2      GLN  89   1.480  10.252   7.083
  716    H    ILE  90           H        ILE  90  -3.456   4.986   6.736
  717    HA   ILE  90           HA       ILE  90  -3.831   5.301   3.897
  718    HB   ILE  90           HB       ILE  90  -4.836   3.143   5.799
  719   1HG1  ILE  90          1HG1      ILE  90  -2.485   2.762   4.007
  720   2HG1  ILE  90          2HG1      ILE  90  -2.253   3.831   5.388
  721   1HG2  ILE  90          1HG2      ILE  90  -5.804   3.353   3.352
  722   2HG2  ILE  90          3HG2      ILE  90  -4.229   2.717   2.885
  723   3HG2  ILE  90          2HG2      ILE  90  -5.278   1.783   3.949
  724   1HD1  ILE  90          1HD1      ILE  90  -3.674   1.307   5.994
  725   2HD1  ILE  90          3HD1      ILE  90  -1.989   1.119   5.507
  726   3HD1  ILE  90          2HD1      ILE  90  -2.398   2.127   6.894
  727    H    THR  91           H        THR  91  -6.168   5.430   6.625
  728    HA   THR  91           HA       THR  91  -8.569   5.403   5.042
  729    HB   THR  91           HB       THR  91  -8.203   7.067   7.540
  730    HG1  THR  91           HG1      THR  91  -8.206   5.237   8.732
  731   1HG2  THR  91          3HG2      THR  91 -10.428   5.494   6.256
  732   2HG2  THR  91          2HG2      THR  91 -10.481   5.904   7.970
  733   3HG2  THR  91          1HG2      THR  91 -10.422   7.184   6.759
  734    H    GLN  92           H        GLN  92  -6.380   8.084   5.953
  735    HA   GLN  92           HA       GLN  92  -7.934  10.268   4.959
  736   1HB   GLN  92          1HB       GLN  92  -5.040   9.696   5.442
  737   2HB   GLN  92          2HB       GLN  92  -5.412  11.086   4.422
  738   1HG   GLN  92          1HG       GLN  92  -7.181  11.557   6.377
  739   2HG   GLN  92          2HG       GLN  92  -5.997  10.647   7.315
  740   1HE2  GLN  92          1HE2      GLN  92  -5.317  12.637   8.491
  741   2HE2  GLN  92          2HE2      GLN  92  -4.381  13.814   7.704
  742    H    HIS  93           H        HIS  93  -5.739   8.024   3.211
  743    HA   HIS  93           HA       HIS  93  -5.636   9.299   0.677
  744   1HB   HIS  93          1HB       HIS  93  -5.423   6.531   1.719
  745   2HB   HIS  93          2HB       HIS  93  -5.848   6.639   0.015
  746    HD1  HIS  93           HD1      HIS  93  -4.077   7.540  -1.606
  747    HD2  HIS  93           HD2      HIS  93  -2.828   7.553   2.370
  748    HE1  HIS  93           HE1      HIS  93  -1.571   7.886  -1.642
  749    H    ILE  94           H        ILE  94  -8.200   7.113   1.959
  750    HA   ILE  94           HA       ILE  94  -9.803   7.179  -0.457
  751    HB   ILE  94           HB       ILE  94 -10.324   6.498   2.452
  752   1HG1  ILE  94          1HG1      ILE  94 -10.931   4.320   0.848
  753   2HG1  ILE  94          2HG1      ILE  94  -9.613   5.086  -0.036
  754   1HG2  ILE  94          2HG2      ILE  94 -12.437   7.441   1.512
  755   2HG2  ILE  94          1HG2      ILE  94 -12.345   6.272   0.194
  756   3HG2  ILE  94          3HG2      ILE  94 -12.570   5.716   1.853
  757   1HD1  ILE  94          3HD1      ILE  94  -9.485   4.464   2.928
  758   2HD1  ILE  94          2HD1      ILE  94  -8.885   3.375   1.675
  759   3HD1  ILE  94          1HD1      ILE  94  -8.158   4.967   1.878
  760    H    ALA  95           H        ALA  95  -9.788   9.196   2.506
  761    HA   ALA  95           HA       ALA  95 -12.087  10.795   1.852
  762   1HB   ALA  95          1HB       ALA  95 -10.797  12.513   3.329
  763   2HB   ALA  95          2HB       ALA  95  -9.592  11.237   3.500
  764   3HB   ALA  95          3HB       ALA  95 -11.242  10.972   4.063
  765    H    ASP  96           H        ASP  96  -8.652  11.103   0.888
  766    HA   ASP  96           HA       ASP  96  -8.989  13.688  -0.417
  767   1HB   ASP  96          1HB       ASP  96  -6.935  11.469  -0.747
  768   2HB   ASP  96          2HB       ASP  96  -6.778  13.076  -1.458
  769    H    LEU  97           H        LEU  97  -9.202  10.288  -1.562
  770    HA   LEU  97           HA       LEU  97  -9.605  11.105  -4.362
  771   1HB   LEU  97          1HB       LEU  97  -8.569   8.931  -3.537
  772   2HB   LEU  97          2HB       LEU  97 -10.192   8.427  -3.064
  773    HG   LEU  97           HG       LEU  97 -10.712   9.208  -5.587
  774   1HD1  LEU  97          3HD1      LEU  97  -8.232   9.774  -5.842
  775   2HD1  LEU  97          2HD1      LEU  97  -7.929   8.038  -5.783
  776   3HD1  LEU  97          1HD1      LEU  97  -8.912   8.719  -7.080
  777   1HD2  LEU  97          3HD2      LEU  97 -10.755   6.870  -4.247
  778   2HD2  LEU  97          2HD2      LEU  97 -11.034   6.965  -5.986
  779   3HD2  LEU  97          1HD2      LEU  97  -9.442   6.521  -5.371
  780    H    SER  98           H        SER  98 -11.733  10.263  -1.604
  781    HA   SER  98           HA       SER  98 -14.125  10.326  -3.376
  782   1HB   SER  98          1HB       SER  98 -13.706   9.828  -0.411
  783   2HB   SER  98          2HB       SER  98 -15.281   9.775  -1.195
  784    HG   SER  98           HG       SER  98 -14.058   7.728  -0.985
  785    H    SER  99           H        SER  99 -12.669  12.243  -0.701
  786    HA   SER  99           HA       SER  99 -14.693  14.388  -1.274
  787   1HB   SER  99          1HB       SER  99 -13.327  13.338   1.177
  788   2HB   SER  99          2HB       SER  99 -13.768  15.043   1.139
  789    HG   SER  99           HG       SER  99 -15.528  13.978   1.917
  790    H    LYS 100           H        LYS 100 -13.719  15.982  -2.550
  791    HA   LYS 100           HA       LYS 100 -10.845  16.641  -1.979
  792   1HB   LYS 100          1HB       LYS 100 -12.493  16.260  -4.420
  793   2HB   LYS 100          2HB       LYS 100 -11.345  17.596  -4.478
  794   1HG   LYS 100          1HG       LYS 100  -9.586  16.195  -4.672
  795   2HG   LYS 100          2HG       LYS 100 -10.132  15.212  -3.314
  796   1HD   LYS 100          1HD       LYS 100 -10.331  13.663  -5.019
  797   2HD   LYS 100          2HD       LYS 100 -11.937  14.390  -5.088
  798   1HE   LYS 100          1HE       LYS 100 -10.753  16.092  -6.746
  799   2HE   LYS 100          2HE       LYS 100  -9.625  14.740  -6.966
  800   1HZ   LYS 100          3HZ       LYS 100 -11.564  13.280  -7.292
  801   2HZ   LYS 100          2HZ       LYS 100 -12.584  14.637  -7.225
  802   3HZ   LYS 100          1HZ       LYS 100 -11.455  14.481  -8.485
  803    H    ALA 101           H        ALA 101 -13.819  18.190  -3.365
  804    HA   ALA 101           HA       ALA 101 -13.005  20.712  -1.951
  805   1HB   ALA 101          1HB       ALA 101 -14.499  21.676  -3.865
  806   2HB   ALA 101          2HB       ALA 101 -14.304  20.085  -4.601
  807   3HB   ALA 101          3HB       ALA 101 -12.888  21.088  -4.278
  808    H    ALA 102           H        ALA 102 -16.015  19.220  -3.316
  809    HA   ALA 102           HA       ALA 102 -17.394  19.951  -0.752
  810   1HB   ALA 102          2HB       ALA 102 -18.097  20.423  -3.643
  811   2HB   ALA 102          1HB       ALA 102 -19.374  20.318  -2.430
  812   3HB   ALA 102          3HB       ALA 102 -18.132  21.563  -2.298
  813    H    GLY 103           H        GLY 103 -16.297  17.332  -1.285
  814   1HA   GLY 103          2HA       GLY 103 -16.975  15.099  -1.866
  815   2HA   GLY 103          1HA       GLY 103 -18.597  15.703  -2.207
  816    H    THR 104           H        THR 104 -20.087  15.954  -0.421
  817    HA   THR 104           HA       THR 104 -19.118  14.787   2.172
  818    HB   THR 104           HB       THR 104 -20.948  16.270   3.128
  819    HG1  THR 104           HG1      THR 104 -21.882  17.730   1.799
  820   1HG2  THR 104          2HG2      THR 104 -18.481  16.873   2.975
  821   2HG2  THR 104          1HG2      THR 104 -18.888  17.804   1.533
  822   3HG2  THR 104          3HG2      THR 104 -19.591  18.239   3.091
  823    HA   PRO 105           HA       PRO 105 -22.620  12.260   0.343
  824   1HB   PRO 105          1HB       PRO 105 -21.354   9.834   0.370
  825   2HB   PRO 105          2HB       PRO 105 -21.271  10.951  -1.007
  826   1HG   PRO 105          1HG       PRO 105 -19.275  10.442   1.139
  827   2HG   PRO 105          2HG       PRO 105 -19.026  10.755  -0.585
  828   1HD   PRO 105          1HD       PRO 105 -18.672  12.635   1.364
  829   2HD   PRO 105          2HD       PRO 105 -19.100  13.023  -0.317
  830    H    LYS 106           H        LYS 106 -20.254  11.285   2.896
  831    HA   LYS 106           HA       LYS 106 -22.586  10.367   4.550
  832   1HB   LYS 106          1HB       LYS 106 -19.749   9.416   4.180
  833   2HB   LYS 106          2HB       LYS 106 -20.644   9.002   5.642
  834   1HG   LYS 106          1HG       LYS 106 -22.435   8.005   4.281
  835   2HG   LYS 106          2HG       LYS 106 -21.565   8.437   2.808
  836   1HD   LYS 106          1HD       LYS 106 -19.842   6.891   3.220
  837   2HD   LYS 106          2HD       LYS 106 -20.233   6.773   4.936
  838   1HE   LYS 106          1HE       LYS 106 -22.568   5.886   3.965
  839   2HE   LYS 106          2HE       LYS 106 -21.525   5.415   2.608
  840   1HZ   LYS 106          2HZ       LYS 106 -20.969   4.832   5.470
  841   2HZ   LYS 106          1HZ       LYS 106 -21.579   3.707   4.353
  842   3HZ   LYS 106          3HZ       LYS 106 -20.023   4.347   4.145
  843    H    LYS 107           H        LYS 107 -22.797  11.325   6.611
  844    HA   LYS 107           HA       LYS 107 -20.634  13.247   7.414
  845   1HB   LYS 107          1HB       LYS 107 -23.031  13.977   6.681
  846   2HB   LYS 107          2HB       LYS 107 -23.526  13.366   8.260
  847   1HG   LYS 107          1HG       LYS 107 -21.576  14.821   9.184
  848   2HG   LYS 107          2HG       LYS 107 -21.659  15.643   7.625
  849   1HD   LYS 107          1HD       LYS 107 -24.082  15.229   9.392
  850   2HD   LYS 107          2HD       LYS 107 -23.075  16.676   9.469
  851   1HE   LYS 107          1HE       LYS 107 -23.965  15.867   6.747
  852   2HE   LYS 107          2HE       LYS 107 -25.220  16.500   7.830
  853   1HZ   LYS 107          2HZ       LYS 107 -23.679  18.338   8.382
  854   2HZ   LYS 107          1HZ       LYS 107 -22.620  17.780   7.177
  855   3HZ   LYS 107          3HZ       LYS 107 -24.162  18.343   6.753
  856    H    LYS 108           H        LYS 108 -23.317  11.303   8.895
  857    HA   LYS 108           HA       LYS 108 -21.427  10.642  11.132
  858   1HB   LYS 108          1HB       LYS 108 -23.276  12.425  11.494
  859   2HB   LYS 108          2HB       LYS 108 -24.402  11.069  11.432
  860   1HG   LYS 108          1HG       LYS 108 -23.354  10.004  13.314
  861   2HG   LYS 108          2HG       LYS 108 -22.007  11.143  13.282
  862   1HD   LYS 108          1HD       LYS 108 -23.261  12.867  14.195
  863   2HD   LYS 108          2HD       LYS 108 -24.784  12.225  13.579
  864   1HE   LYS 108          1HE       LYS 108 -25.100  10.888  15.411
  865   2HE   LYS 108          2HE       LYS 108 -23.377  10.484  15.531
  866   1HZ   LYS 108          1HZ       LYS 108 -24.568  13.121  16.214
  867   2HZ   LYS 108          3HZ       LYS 108 -24.089  11.950  17.344
  868   3HZ   LYS 108          2HZ       LYS 108 -22.928  12.698  16.353
  869    H    ALA 109           H        ALA 109 -21.601   8.824   9.042
  870    HA   ALA 109           HA       ALA 109 -23.554   6.762  10.016
  871   1HB   ALA 109          2HB       ALA 109 -24.189   7.060   7.831
  872   2HB   ALA 109          1HB       ALA 109 -22.621   7.720   7.365
  873   3HB   ALA 109          3HB       ALA 109 -22.836   5.976   7.514
  874    H    VAL 110           H        VAL 110 -22.291   5.469  11.427
  875    HA   VAL 110           HA       VAL 110 -19.755   4.358  10.267
  876    HB   VAL 110           HB       VAL 110 -20.360   5.197  13.126
  877   1HG1  VAL 110          3HG1      VAL 110 -18.816   3.202  12.804
  878   2HG1  VAL 110          2HG1      VAL 110 -17.725   4.287  11.940
  879   3HG1  VAL 110          1HG1      VAL 110 -18.096   4.579  13.640
  880   1HG2  VAL 110          3HG2      VAL 110 -18.628   6.404  10.947
  881   2HG2  VAL 110          2HG2      VAL 110 -20.013   7.152  11.746
  882   3HG2  VAL 110          1HG2      VAL 110 -18.521   6.871  12.644
  883    H    VAL 111           H        VAL 111 -19.393   2.095  10.753
  884    HA   VAL 111           HA       VAL 111 -21.566   0.721  12.288
  885    HB   VAL 111           HB       VAL 111 -22.047   0.655   9.869
  886   1HG1  VAL 111          1HG1      VAL 111 -19.268  -0.544   9.698
  887   2HG1  VAL 111          3HG1      VAL 111 -20.442  -0.595   8.382
  888   3HG1  VAL 111          2HG1      VAL 111 -19.827   0.956   8.955
  889   1HG2  VAL 111          1HG2      VAL 111 -21.099  -1.921  11.143
  890   2HG2  VAL 111          3HG2      VAL 111 -22.749  -1.304  11.041
  891   3HG2  VAL 111          2HG2      VAL 111 -21.935  -1.888   9.590
  892    H    GLN 112           H        GLN 112 -20.812  -1.090  13.509
  893    HA   GLN 112           HA       GLN 112 -17.906  -1.777  13.207
  894   1HB   GLN 112          1HB       GLN 112 -18.637  -0.190  15.122
  895   2HB   GLN 112          2HB       GLN 112 -19.387  -1.618  15.835
  896   1HG   GLN 112          1HG       GLN 112 -17.364  -2.639  16.266
  897   2HG   GLN 112          2HG       GLN 112 -16.563  -1.864  14.898
  898   1HE2  GLN 112          1HE2      GLN 112 -14.775  -1.052  16.272
  899   2HE2  GLN 112          2HE2      GLN 112 -15.040   0.211  17.374
  900    H    ALA 113           H        ALA 113 -17.619  -4.004  12.964
  901    HA   ALA 113           HA       ALA 113 -19.770  -5.804  14.036
  902   1HB   ALA 113          3HB       ALA 113 -19.832  -5.396  11.551
  903   2HB   ALA 113          1HB       ALA 113 -19.566  -7.086  11.976
  904   3HB   ALA 113          2HB       ALA 113 -18.212  -6.088  11.446
  905    H    LYS 114           H        LYS 114 -18.686  -6.800  15.782
  906    HA   LYS 114           HA       LYS 114 -15.955  -7.911  15.208
  907   1HB   LYS 114          1HB       LYS 114 -16.612  -5.986  17.001
  908   2HB   LYS 114          2HB       LYS 114 -16.864  -7.421  17.995
  909   1HG   LYS 114          1HG       LYS 114 -14.629  -8.097  17.822
  910   2HG   LYS 114          2HG       LYS 114 -14.358  -7.152  16.356
  911   1HD   LYS 114          1HD       LYS 114 -14.378  -5.086  17.584
  912   2HD   LYS 114          2HD       LYS 114 -14.941  -5.894  19.048
  913   1HE   LYS 114          1HE       LYS 114 -12.397  -6.906  17.851
  914   2HE   LYS 114          2HE       LYS 114 -12.341  -5.337  18.680
  915   1HZ   LYS 114          3HZ       LYS 114 -13.596  -6.402  20.526
  916   2HZ   LYS 114          2HZ       LYS 114 -13.371  -7.903  19.762
  917   3HZ   LYS 114          1HZ       LYS 114 -12.031  -7.021  20.319
  918    H    LEU 115           H        LEU 115 -16.225 -10.143  14.904
  919    HA   LEU 115           HA       LEU 115 -18.055 -11.563  16.816
  920   1HB   LEU 115          1HB       LEU 115 -17.713 -11.616  13.855
  921   2HB   LEU 115          2HB       LEU 115 -18.037 -13.161  14.643
  922    HG   LEU 115           HG       LEU 115 -19.709 -10.822  15.447
  923   1HD1  LEU 115          2HD1      LEU 115 -19.516 -10.863  12.888
  924   2HD1  LEU 115          1HD1      LEU 115 -20.335 -12.424  12.960
  925   3HD1  LEU 115          3HD1      LEU 115 -21.146 -10.974  13.553
  926   1HD2  LEU 115          2HD2      LEU 115 -20.086 -13.802  15.071
  927   2HD2  LEU 115          1HD2      LEU 115 -20.118 -12.891  16.581
  928   3HD2  LEU 115          3HD2      LEU 115 -21.429 -12.713  15.416
  929    H    THR 116           H        THR 116 -17.052 -13.249  17.955
  930    HA   THR 116           HA       THR 116 -14.429 -14.258  16.900
  931    HB   THR 116           HB       THR 116 -13.746 -14.280  19.336
  932    HG1  THR 116           HG1      THR 116 -15.703 -14.218  20.340
  933   1HG2  THR 116          1HG2      THR 116 -14.457 -11.737  17.890
  934   2HG2  THR 116          3HG2      THR 116 -13.670 -11.689  19.468
  935   3HG2  THR 116          2HG2      THR 116 -12.870 -12.475  18.107
  936    H    THR 117           H        THR 117 -14.751 -16.449  16.452
  937    HA   THR 117           HA       THR 117 -16.522 -17.993  18.322
  938    HB   THR 117           HB       THR 117 -15.862 -18.669  15.450
  939    HG1  THR 117           HG1      THR 117 -17.633 -17.488  14.850
  940   1HG2  THR 117          2HG2      THR 117 -16.895 -20.403  16.900
  941   2HG2  THR 117          1HG2      THR 117 -18.241 -19.307  17.215
  942   3HG2  THR 117          3HG2      THR 117 -17.961 -19.914  15.582

  No H/Q in entry =         942
  Start of MODEL   23
    1    H1   MET   1           H        MET   1 -17.633 -14.805 -12.718
    2    H2   MET   1           HN2      MET   1 -18.504 -13.621 -11.864
    3    HA   MET   1           HA       MET   1 -17.865 -14.686  -9.751
    4   1HB   MET   1          1HB       MET   1 -16.705 -16.535 -11.812
    5   2HB   MET   1          2HB       MET   1 -15.895 -16.392 -10.251
    6   1HG   MET   1          1HG       MET   1 -17.938 -17.005  -9.080
    7   2HG   MET   1          2HG       MET   1 -18.842 -17.014 -10.594
    8   1HE   MET   1          3HE       MET   1 -19.797 -18.833 -10.523
    9   2HE   MET   1          2HE       MET   1 -19.119 -19.682 -11.910
   10   3HE   MET   1          1HE       MET   1 -19.215 -20.493 -10.349
   11    H    ALA   2           H        ALA   2 -16.072 -13.642  -8.711
   12    HA   ALA   2           HA       ALA   2 -14.114 -12.301 -10.552
   13   1HB   ALA   2          2HB       ALA   2 -15.692 -11.356  -8.159
   14   2HB   ALA   2          1HB       ALA   2 -14.211 -10.529  -8.644
   15   3HB   ALA   2          3HB       ALA   2 -15.575 -10.620  -9.757
   16    H    GLU   3           H        GLU   3 -11.931 -12.594  -9.980
   17    HA   GLU   3           HA       GLU   3 -11.391 -13.846  -7.304
   18   1HB   GLU   3          1HB       GLU   3 -10.615 -14.500 -10.102
   19   2HB   GLU   3          2HB       GLU   3  -9.363 -14.712  -8.878
   20   1HG   GLU   3          1HG       GLU   3 -11.412 -15.869  -7.577
   21   2HG   GLU   3          2HG       GLU   3 -11.933 -16.175  -9.234
   22    H    GLN   4           H        GLN   4 -11.133 -11.360  -6.782
   23    HA   GLN   4           HA       GLN   4  -8.354 -10.494  -7.529
   24   1HB   GLN   4          1HB       GLN   4 -10.662  -9.289  -8.242
   25   2HB   GLN   4          2HB       GLN   4 -10.430  -8.535  -6.664
   26   1HG   GLN   4          1HG       GLN   4  -8.547  -7.405  -7.327
   27   2HG   GLN   4          2HG       GLN   4  -8.040  -8.685  -8.430
   28   1HE2  GLN   4          1HE2      GLN   4  -9.828  -8.958 -10.368
   29   2HE2  GLN   4          2HE2      GLN   4 -10.289  -7.485 -11.075
   30    H    ARG   5           H        ARG   5  -7.004  -9.905  -5.771
   31    HA   ARG   5           HA       ARG   5  -8.262  -9.644  -3.073
   32   1HB   ARG   5          1HB       ARG   5  -7.488 -12.016  -3.662
   33   2HB   ARG   5          2HB       ARG   5  -5.845 -11.373  -3.653
   34   1HG   ARG   5          1HG       ARG   5  -6.060 -10.685  -1.340
   35   2HG   ARG   5          2HG       ARG   5  -7.769 -11.120  -1.326
   36   1HD   ARG   5          1HD       ARG   5  -5.851 -13.266  -2.124
   37   2HD   ARG   5          2HD       ARG   5  -5.891 -12.809  -0.409
   38    HE   ARG   5           HE       ARG   5  -8.077 -13.700  -0.279
   39   1HH1  ARG   5          1HH1      ARG   5  -9.741 -12.336  -2.044
   40   2HH1  ARG   5          2HH1      ARG   5 -10.007 -13.400  -3.385
   41   1HH2  ARG   5          1HH2      ARG   5  -7.287 -15.426  -2.656
   42   2HH2  ARG   5          2HH2      ARG   5  -8.616 -15.149  -3.731
   43    H    PHE   6           H        PHE   6  -7.259  -7.997  -1.865
   44    HA   PHE   6           HA       PHE   6  -4.683  -6.905  -2.960
   45   1HB   PHE   6          1HB       PHE   6  -7.285  -5.756  -2.231
   46   2HB   PHE   6          2HB       PHE   6  -5.943  -4.922  -1.453
   47    HD1  PHE   6           HD1      PHE   6  -7.689  -5.545  -4.573
   48    HD2  PHE   6           HD2      PHE   6  -4.064  -3.995  -2.866
   49    HE1  PHE   6           HE1      PHE   6  -7.185  -4.375  -6.701
   50    HE2  PHE   6           HE2      PHE   6  -3.561  -2.827  -4.991
   51    HZ   PHE   6           HZ       PHE   6  -5.121  -3.016  -6.909
   52    H    CYS   7           H        CYS   7  -2.977  -6.677  -1.465
   53    HA   CYS   7           HA       CYS   7  -3.610  -7.266   1.415
   54   1HB   CYS   7          1HB       CYS   7  -1.464  -8.182  -0.488
   55   2HB   CYS   7          2HB       CYS   7  -1.126  -8.133   1.241
   56    HG   CYS   7           HG       CYS   7  -2.468 -10.190   1.512
   57    H    VAL   8           H        VAL   8  -2.081  -6.134   2.959
   58    HA   VAL   8           HA       VAL   8  -0.722  -3.777   1.707
   59    HB   VAL   8           HB       VAL   8  -1.556  -2.450   3.677
   60   1HG1  VAL   8          2HG1      VAL   8  -3.342  -3.677   1.618
   61   2HG1  VAL   8          1HG1      VAL   8  -4.071  -2.666   2.866
   62   3HG1  VAL   8          3HG1      VAL   8  -2.830  -2.001   1.805
   63   1HG2  VAL   8          1HG2      VAL   8  -2.009  -4.337   5.214
   64   2HG2  VAL   8          3HG2      VAL   8  -3.444  -3.350   4.974
   65   3HG2  VAL   8          2HG2      VAL   8  -3.294  -4.895   4.148
   66    H    ASP   9           H        ASP   9   1.456  -3.967   2.155
   67    HA   ASP   9           HA       ASP   9   2.222  -5.123   4.819
   68   1HB   ASP   9          1HB       ASP   9   3.319  -5.348   2.021
   69   2HB   ASP   9          2HB       ASP   9   4.369  -5.641   3.408
   70    H    TYR  10           H        TYR  10   4.027  -4.098   5.907
   71    HA   TYR  10           HA       TYR  10   4.515  -1.283   4.995
   72   1HB   TYR  10          1HB       TYR  10   3.836  -2.525   7.468
   73   2HB   TYR  10          2HB       TYR  10   5.478  -1.912   7.651
   74    HD1  TYR  10           HD1      TYR  10   2.188  -1.052   8.202
   75    HD2  TYR  10           HD2      TYR  10   5.726   0.517   6.331
   76    HE1  TYR  10           HE1      TYR  10   1.303   1.253   8.450
   77    HE2  TYR  10           HE2      TYR  10   4.840   2.817   6.581
   78    HH   TYR  10           HH       TYR  10   2.125   3.720   6.832
   79    H    ALA  11           H        ALA  11   6.696  -0.546   4.723
   80    HA   ALA  11           HA       ALA  11   8.698  -2.716   4.370
   81   1HB   ALA  11          3HB       ALA  11   9.048   0.252   3.871
   82   2HB   ALA  11          1HB       ALA  11   8.197  -0.792   2.732
   83   3HB   ALA  11          2HB       ALA  11   9.897  -1.085   3.096
   84    H    LYS  12           H        LYS  12   9.883  -3.282   6.191
   85    HA   LYS  12           HA       LYS  12  10.650  -1.088   8.092
   86   1HB   LYS  12          1HB       LYS  12  10.050  -4.035   8.363
   87   2HB   LYS  12          2HB       LYS  12  10.956  -3.181   9.612
   88   1HG   LYS  12          1HG       LYS  12   8.364  -2.040   8.602
   89   2HG   LYS  12          2HG       LYS  12   8.347  -3.328   9.807
   90   1HD   LYS  12          1HD       LYS  12  10.031  -1.882  11.117
   91   2HD   LYS  12          2HD       LYS  12   9.557  -0.572  10.036
   92   1HE   LYS  12          1HE       LYS  12   7.103  -1.301  10.708
   93   2HE   LYS  12          2HE       LYS  12   7.926  -1.974  12.130
   94   1HZ   LYS  12          2HZ       LYS  12   8.241   0.799  11.105
   95   2HZ   LYS  12          1HZ       LYS  12   7.343   0.358  12.478
   96   3HZ   LYS  12          3HZ       LYS  12   9.026   0.148  12.464
   97    H    ARG  13           H        ARG  13  11.889  -4.275   6.881
   98    HA   ARG  13           HA       ARG  13  14.636  -3.062   6.883
   99   1HB   ARG  13          1HB       ARG  13  14.102  -4.714   8.722
  100   2HB   ARG  13          2HB       ARG  13  13.844  -5.931   7.471
  101   1HG   ARG  13          1HG       ARG  13  16.283  -4.922   6.731
  102   2HG   ARG  13          2HG       ARG  13  16.370  -4.782   8.487
  103   1HD   ARG  13          1HD       ARG  13  15.283  -7.352   7.453
  104   2HD   ARG  13          2HD       ARG  13  17.015  -7.068   7.190
  105    HE   ARG  13           HE       ARG  13  15.680  -7.007   9.866
  106   1HH1  ARG  13          1HH1      ARG  13  18.054  -8.523   8.116
  107   2HH1  ARG  13          2HH1      ARG  13  19.329  -8.280   9.263
  108   1HH2  ARG  13          1HH2      ARG  13  17.495  -6.099  11.239
  109   2HH2  ARG  13          2HH2      ARG  13  19.013  -6.908  11.031
  110    H    GLY  14           H        GLY  14  12.810  -3.119   4.572
  111   1HA   GLY  14          2HA       GLY  14  12.842  -5.159   2.779
  112   2HA   GLY  14          1HA       GLY  14  14.530  -4.655   2.730
  113    H    THR  15           H        THR  15  14.218  -3.977   0.460
  114    HA   THR  15           HA       THR  15  12.368  -1.683   0.024
  115    HB   THR  15           HB       THR  15  14.477  -0.741   0.871
  116    HG1  THR  15           HG1      THR  15  13.672   0.567  -0.643
  117   1HG2  THR  15          2HG2      THR  15  15.618  -2.843  -0.754
  118   2HG2  THR  15          1HG2      THR  15  16.297  -1.284  -1.221
  119   3HG2  THR  15          3HG2      THR  15  16.403  -1.825   0.452
  120    H    ALA  16           H        ALA  16  11.759  -1.468  -2.215
  121    HA   ALA  16           HA       ALA  16  13.197  -3.054  -4.246
  122   1HB   ALA  16          1HB       ALA  16  10.740  -4.074  -4.693
  123   2HB   ALA  16          2HB       ALA  16  10.623  -3.822  -2.951
  124   3HB   ALA  16          3HB       ALA  16  11.893  -4.852  -3.610
  125    H    GLY  17           H        GLY  17  12.689  -2.433  -6.410
  126   1HA   GLY  17          2HA       GLY  17  11.932  -0.986  -8.081
  127   2HA   GLY  17          1HA       GLY  17  11.783   0.226  -6.809
  128    H    CYS  18           H        CYS  18   9.709   1.052  -6.819
  129    HA   CYS  18           HA       CYS  18   7.407  -0.552  -6.271
  130   1HB   CYS  18          1HB       CYS  18   7.515   1.842  -5.813
  131   2HB   CYS  18          2HB       CYS  18   7.724   2.200  -7.523
  132    H    LYS  19           H        LYS  19   5.859  -1.525  -7.613
  133    HA   LYS  19           HA       LYS  19   6.571  -1.819 -10.488
  134   1HB   LYS  19          1HB       LYS  19   4.905  -3.232  -8.469
  135   2HB   LYS  19          2HB       LYS  19   4.283  -3.261 -10.118
  136   1HG   LYS  19          1HG       LYS  19   5.690  -5.170  -9.969
  137   2HG   LYS  19          2HG       LYS  19   6.649  -3.965 -10.828
  138   1HD   LYS  19          1HD       LYS  19   7.364  -3.336  -8.317
  139   2HD   LYS  19          2HD       LYS  19   6.989  -5.043  -8.072
  140   1HE   LYS  19          1HE       LYS  19   8.443  -5.387 -10.246
  141   2HE   LYS  19          2HE       LYS  19   9.117  -3.807  -9.800
  142   1HZ   LYS  19          3HZ       LYS  19   8.849  -6.122  -7.954
  143   2HZ   LYS  19          2HZ       LYS  19  10.295  -5.656  -8.714
  144   3HZ   LYS  19          1HZ       LYS  19   9.553  -4.623  -7.589
  145    H    LYS  20           H        LYS  20   4.971  -1.223 -12.184
  146    HA   LYS  20           HA       LYS  20   3.365   0.232 -13.124
  147   1HB   LYS  20          1HB       LYS  20   2.225  -1.094 -10.899
  148   2HB   LYS  20          2HB       LYS  20   1.791   0.605 -10.685
  149   1HG   LYS  20          1HG       LYS  20   0.052  -0.079 -12.054
  150   2HG   LYS  20          2HG       LYS  20   1.215   0.439 -13.275
  151   1HD   LYS  20          1HD       LYS  20   0.425  -1.732 -13.942
  152   2HD   LYS  20          2HD       LYS  20   2.067  -1.947 -13.333
  153   1HE   LYS  20          1HE       LYS  20   1.363  -3.077 -11.440
  154   2HE   LYS  20          2HE       LYS  20  -0.181  -2.203 -11.370
  155   1HZ   LYS  20          3HZ       LYS  20   0.560  -4.156 -13.484
  156   2HZ   LYS  20          2HZ       LYS  20  -0.439  -4.512 -12.156
  157   3HZ   LYS  20          1HZ       LYS  20  -0.934  -3.371 -13.314
  158    H    CYS  21           H        CYS  21   5.790   1.364 -11.745
  159    HA   CYS  21           HA       CYS  21   5.169   4.161 -11.808
  160   1HB   CYS  21          1HB       CYS  21   3.997   4.206  -9.835
  161   2HB   CYS  21          2HB       CYS  21   4.655   2.678  -9.299
  162    H    LYS  22           H        LYS  22   7.158   5.206 -12.128
  163    HA   LYS  22           HA       LYS  22   9.631   3.622 -11.901
  164   1HB   LYS  22          1HB       LYS  22   8.813   5.586 -13.563
  165   2HB   LYS  22          2HB       LYS  22   9.699   6.567 -12.395
  166   1HG   LYS  22          1HG       LYS  22  10.953   4.063 -13.486
  167   2HG   LYS  22          2HG       LYS  22  10.981   5.544 -14.445
  168   1HD   LYS  22          1HD       LYS  22  12.131   6.742 -12.695
  169   2HD   LYS  22          2HD       LYS  22  11.925   5.399 -11.570
  170   1HE   LYS  22          1HE       LYS  22  14.113   5.013 -12.302
  171   2HE   LYS  22          2HE       LYS  22  13.208   4.056 -13.492
  172   1HZ   LYS  22          2HZ       LYS  22  13.122   5.998 -14.934
  173   2HZ   LYS  22          1HZ       LYS  22  14.017   6.900 -13.806
  174   3HZ   LYS  22          3HZ       LYS  22  14.733   5.580 -14.595
  175    H    GLU  23           H        GLU  23   9.274   3.377  -9.415
  176    HA   GLU  23           HA       GLU  23  10.879   5.469  -8.052
  177   1HB   GLU  23          1HB       GLU  23   8.256   5.817  -8.118
  178   2HB   GLU  23          2HB       GLU  23   8.277   4.634  -6.817
  179   1HG   GLU  23          1HG       GLU  23   9.294   6.077  -5.348
  180   2HG   GLU  23          2HG       GLU  23  10.249   6.848  -6.614
  181    H    LYS  24           H        LYS  24  10.896   4.618  -5.480
  182    HA   LYS  24           HA       LYS  24  11.314   1.635  -5.514
  183   1HB   LYS  24          1HB       LYS  24  13.330   3.367  -5.761
  184   2HB   LYS  24          2HB       LYS  24  13.128   3.490  -4.013
  185   1HG   LYS  24          1HG       LYS  24  13.309   1.019  -3.838
  186   2HG   LYS  24          2HG       LYS  24  13.582   0.933  -5.580
  187   1HD   LYS  24          1HD       LYS  24  15.314   2.580  -3.722
  188   2HD   LYS  24          2HD       LYS  24  15.688   0.911  -4.156
  189   1HE   LYS  24          1HE       LYS  24  15.409   1.750  -6.626
  190   2HE   LYS  24          2HE       LYS  24  15.670   3.357  -5.916
  191   1HZ   LYS  24          2HZ       LYS  24  17.650   2.500  -4.811
  192   2HZ   LYS  24          1HZ       LYS  24  17.418   0.982  -5.536
  193   3HZ   LYS  24          3HZ       LYS  24  17.782   2.331  -6.496
  194    H    ILE  25           H        ILE  25  11.129   0.669  -3.352
  195    HA   ILE  25           HA       ILE  25   9.452   2.341  -1.514
  196    HB   ILE  25           HB       ILE  25   9.826  -0.676  -1.635
  197   1HG1  ILE  25          1HG1      ILE  25   7.552   0.991  -2.765
  198   2HG1  ILE  25          2HG1      ILE  25   8.851   0.309  -3.744
  199   1HG2  ILE  25          2HG2      ILE  25   8.954   0.468   0.490
  200   2HG2  ILE  25          1HG2      ILE  25   7.538   0.909  -0.467
  201   3HG2  ILE  25          3HG2      ILE  25   7.931  -0.790  -0.204
  202   1HD1  ILE  25          2HD1      ILE  25   7.470  -1.581  -1.917
  203   2HD1  ILE  25          1HD1      ILE  25   6.522  -0.990  -3.282
  204   3HD1  ILE  25          3HD1      ILE  25   8.048  -1.827  -3.564
  205    H    VAL  26           H        VAL  26  10.651   3.209   0.183
  206    HA   VAL  26           HA       VAL  26  12.978   1.611   1.220
  207    HB   VAL  26           HB       VAL  26  12.312   4.574   1.377
  208   1HG1  VAL  26          2HG1      VAL  26  14.673   2.933   2.314
  209   2HG1  VAL  26          1HG1      VAL  26  14.787   4.672   2.042
  210   3HG1  VAL  26          3HG1      VAL  26  13.677   4.040   3.258
  211   1HG2  VAL  26          2HG2      VAL  26  14.190   2.971  -0.379
  212   2HG2  VAL  26          1HG2      VAL  26  12.864   4.013  -0.895
  213   3HG2  VAL  26          3HG2      VAL  26  14.316   4.720  -0.186
  214    H    LYS  27           H        LYS  27  13.309   1.685   3.602
  215    HA   LYS  27           HA       LYS  27  11.142   0.861   5.179
  216   1HB   LYS  27          1HB       LYS  27  13.567   0.792   5.796
  217   2HB   LYS  27          2HB       LYS  27  13.506   2.525   6.121
  218   1HG   LYS  27          1HG       LYS  27  11.817   2.172   7.858
  219   2HG   LYS  27          2HG       LYS  27  11.786   0.444   7.503
  220   1HD   LYS  27          1HD       LYS  27  13.279   0.437   9.265
  221   2HD   LYS  27          2HD       LYS  27  14.408   0.680   7.933
  222   1HE   LYS  27          1HE       LYS  27  13.768   3.257   8.398
  223   2HE   LYS  27          2HE       LYS  27  13.527   2.604  10.031
  224   1HZ   LYS  27          1HZ       LYS  27  15.930   2.156   8.339
  225   2HZ   LYS  27          3HZ       LYS  27  15.850   3.224   9.655
  226   3HZ   LYS  27          2HZ       LYS  27  15.690   1.552   9.909
  227    H    GLY  28           H        GLY  28   9.569   1.892   6.522
  228   1HA   GLY  28          2HA       GLY  28   9.585   4.841   6.701
  229   2HA   GLY  28          1HA       GLY  28   8.499   3.758   7.566
  230    H    VAL  29           H        VAL  29   8.221   2.509   4.541
  231    HA   VAL  29           HA       VAL  29   6.083   4.457   3.778
  232    HB   VAL  29           HB       VAL  29   8.222   4.419   2.385
  233   1HG1  VAL  29          1HG1      VAL  29   8.353   1.827   2.539
  234   2HG1  VAL  29          3HG1      VAL  29   7.162   1.836   1.243
  235   3HG1  VAL  29          2HG1      VAL  29   8.740   2.581   0.996
  236   1HG2  VAL  29          2HG2      VAL  29   5.575   3.707   1.094
  237   2HG2  VAL  29          1HG2      VAL  29   6.189   5.324   1.439
  238   3HG2  VAL  29          3HG2      VAL  29   6.968   4.330   0.208
  239    H    CYS  30           H        CYS  30   4.039   3.520   3.476
  240    HA   CYS  30           HA       CYS  30   3.832   0.584   3.897
  241   1HB   CYS  30          1HB       CYS  30   1.458   1.038   4.236
  242   2HB   CYS  30          2HB       CYS  30   2.391   2.229   5.129
  243    HG   CYS  30           HG       CYS  30   1.792   3.454   2.492
  244    H    ARG  31           H        ARG  31   3.169  -0.892   2.281
  245    HA   ARG  31           HA       ARG  31   2.492   0.290  -0.398
  246   1HB   ARG  31          1HB       ARG  31   3.944  -1.480  -1.367
  247   2HB   ARG  31          2HB       ARG  31   4.847  -0.406  -0.303
  248   1HG   ARG  31          1HG       ARG  31   3.676  -2.682   1.131
  249   2HG   ARG  31          2HG       ARG  31   4.786  -3.185  -0.143
  250   1HD   ARG  31          1HD       ARG  31   6.030  -0.990   1.183
  251   2HD   ARG  31          2HD       ARG  31   5.429  -2.084   2.442
  252    HE   ARG  31           HE       ARG  31   7.349  -2.822   0.295
  253   1HH1  ARG  31          1HH1      ARG  31   8.732  -3.541   2.445
  254   2HH1  ARG  31          2HH1      ARG  31   8.123  -5.052   3.032
  255   1HH2  ARG  31          1HH2      ARG  31   5.127  -4.819   1.303
  256   2HH2  ARG  31          2HH2      ARG  31   6.082  -5.775   2.387
  257    H    ILE  32           H        ILE  32   1.036  -1.009  -1.694
  258    HA   ILE  32           HA       ILE  32  -0.357  -3.169  -0.143
  259    HB   ILE  32           HB       ILE  32  -1.475  -1.554  -2.456
  260   1HG1  ILE  32          1HG1      ILE  32  -1.785  -0.928   0.504
  261   2HG1  ILE  32          2HG1      ILE  32  -0.748  -0.019  -0.593
  262   1HG2  ILE  32          2HG2      ILE  32  -2.518  -3.738  -1.613
  263   2HG2  ILE  32          1HG2      ILE  32  -2.920  -2.846  -0.147
  264   3HG2  ILE  32          3HG2      ILE  32  -3.579  -2.332  -1.699
  265   1HD1  ILE  32          2HD1      ILE  32  -3.694  -0.433  -1.131
  266   2HD1  ILE  32          1HD1      ILE  32  -3.085   0.944  -0.210
  267   3HD1  ILE  32          3HD1      ILE  32  -2.604   0.726  -1.893
  268    H    GLY  33           H        GLY  33  -0.413  -5.233  -1.098
  269   1HA   GLY  33          2HA       GLY  33   0.773  -6.742  -2.620
  270   2HA   GLY  33          1HA       GLY  33   0.789  -5.448  -3.819
  271    H    LYS  34           H        LYS  34  -0.547  -6.060  -5.512
  272    HA   LYS  34           HA       LYS  34  -3.306  -6.988  -4.807
  273   1HB   LYS  34          1HB       LYS  34  -3.002  -4.949  -6.211
  274   2HB   LYS  34          2HB       LYS  34  -2.145  -5.924  -7.404
  275   1HG   LYS  34          1HG       LYS  34  -4.203  -7.393  -7.542
  276   2HG   LYS  34          2HG       LYS  34  -5.039  -6.191  -6.557
  277   1HD   LYS  34          1HD       LYS  34  -4.893  -4.539  -8.224
  278   2HD   LYS  34          2HD       LYS  34  -3.582  -5.370  -9.062
  279   1HE   LYS  34          1HE       LYS  34  -5.253  -6.094 -10.454
  280   2HE   LYS  34          2HE       LYS  34  -5.590  -7.258  -9.157
  281   1HZ   LYS  34          3HZ       LYS  34  -6.701  -4.506  -9.223
  282   2HZ   LYS  34          2HZ       LYS  34  -7.537  -5.863  -9.812
  283   3HZ   LYS  34          1HZ       LYS  34  -7.127  -5.761  -8.166
  284    H    VAL  35           H        VAL  35  -3.589  -9.227  -4.962
  285    HA   VAL  35           HA       VAL  35  -1.697 -10.772  -6.672
  286    HB   VAL  35           HB       VAL  35  -3.882 -11.672  -4.752
  287   1HG1  VAL  35          2HG1      VAL  35  -3.127 -13.320  -6.516
  288   2HG1  VAL  35          1HG1      VAL  35  -1.506 -13.213  -5.830
  289   3HG1  VAL  35          3HG1      VAL  35  -2.835 -13.843  -4.858
  290   1HG2  VAL  35          2HG2      VAL  35  -1.052 -10.823  -4.391
  291   2HG2  VAL  35          1HG2      VAL  35  -2.404 -10.732  -3.264
  292   3HG2  VAL  35          3HG2      VAL  35  -1.557 -12.261  -3.505
  293    H    VAL  36           H        VAL  36  -2.321 -11.206  -8.788
  294    HA   VAL  36           HA       VAL  36  -5.260 -11.410  -9.360
  295    HB   VAL  36           HB       VAL  36  -2.915 -10.590 -11.109
  296   1HG1  VAL  36          1HG1      VAL  36  -5.901 -10.666 -11.644
  297   2HG1  VAL  36          3HG1      VAL  36  -4.714  -9.905 -12.704
  298   3HG1  VAL  36          2HG1      VAL  36  -4.668 -11.648 -12.436
  299   1HG2  VAL  36          2HG2      VAL  36  -4.888  -9.114  -9.427
  300   2HG2  VAL  36          1HG2      VAL  36  -3.221  -8.699  -9.827
  301   3HG2  VAL  36          3HG2      VAL  36  -4.506  -8.421 -11.003
  302    HA   PRO  37           HA       PRO  37  -3.820 -15.632 -10.200
  303   1HB   PRO  37          1HB       PRO  37  -6.299 -16.762 -10.437
  304   2HB   PRO  37          2HB       PRO  37  -5.532 -16.438  -8.870
  305   1HG   PRO  37          1HG       PRO  37  -7.638 -14.901 -10.301
  306   2HG   PRO  37          2HG       PRO  37  -7.455 -15.228  -8.570
  307   1HD   PRO  37          1HD       PRO  37  -6.792 -12.852  -9.743
  308   2HD   PRO  37          2HD       PRO  37  -6.039 -13.464  -8.254
  309    H    ASN  38           H        ASN  38  -3.481 -16.647 -12.232
  310    HA   ASN  38           HA       ASN  38  -4.844 -15.359 -14.571
  311   1HB   ASN  38          1HB       ASN  38  -2.216 -16.725 -14.053
  312   2HB   ASN  38          2HB       ASN  38  -2.850 -16.696 -15.700
  313   1HD2  ASN  38          2HD2      ASN  38  -0.449 -15.201 -14.723
  314   2HD2  ASN  38          1HD2      ASN  38  -0.800 -13.558 -14.965
  315    HA   PRO  39           HA       PRO  39  -7.041 -19.118 -15.318
  316   1HB   PRO  39          1HB       PRO  39  -7.439 -18.947 -18.020
  317   2HB   PRO  39          2HB       PRO  39  -8.328 -17.954 -16.849
  318   1HG   PRO  39          1HG       PRO  39  -6.005 -17.235 -18.560
  319   2HG   PRO  39          2HG       PRO  39  -7.418 -16.270 -18.110
  320   1HD   PRO  39          1HD       PRO  39  -4.959 -15.992 -16.952
  321   2HD   PRO  39          2HD       PRO  39  -6.486 -15.591 -16.136
  322    H    PHE  40           H        PHE  40  -4.732 -20.159 -14.826
  323    HA   PHE  40           HA       PHE  40  -4.019 -21.832 -17.186
  324   1HB   PHE  40          1HB       PHE  40  -2.551 -19.836 -17.177
  325   2HB   PHE  40          2HB       PHE  40  -2.067 -20.202 -15.521
  326    HD1  PHE  40           HD1      PHE  40  -0.679 -22.173 -15.015
  327    HD2  PHE  40           HD2      PHE  40  -1.737 -21.151 -19.052
  328    HE1  PHE  40           HE1      PHE  40   1.074 -23.708 -15.863
  329    HE2  PHE  40           HE2      PHE  40   0.017 -22.686 -19.899
  330    HZ   PHE  40           HZ       PHE  40   1.422 -23.965 -18.305
  331    H    SER  41           H        SER  41  -2.903 -21.198 -13.789
  332    HA   SER  41           HA       SER  41  -3.017 -24.164 -13.337
  333   1HB   SER  41          1HB       SER  41  -0.788 -23.471 -13.082
  334   2HB   SER  41          2HB       SER  41  -1.251 -21.916 -12.395
  335    HG   SER  41           HG       SER  41  -0.425 -23.671 -10.940
  336    H    GLU  42           H        GLU  42  -3.829 -24.867 -11.195
  337    HA   GLU  42           HA       GLU  42  -5.801 -22.922 -10.056
  338   1HB   GLU  42          1HB       GLU  42  -5.542 -25.905 -10.267
  339   2HB   GLU  42          2HB       GLU  42  -6.520 -25.233  -8.961
  340   1HG   GLU  42          1HG       GLU  42  -6.885 -24.323 -11.815
  341   2HG   GLU  42          2HG       GLU  42  -7.715 -25.751 -11.195
  342    H    SER  43           H        SER  43  -3.384 -25.375  -8.950
  343    HA   SER  43           HA       SER  43  -3.508 -24.699  -6.161
  344   1HB   SER  43          1HB       SER  43  -2.401 -26.717  -6.826
  345   2HB   SER  43          2HB       SER  43  -1.339 -25.855  -7.935
  346    HG   SER  43           HG       SER  43  -1.322 -25.927  -5.113
  347    H    GLY  44           H        GLY  44  -1.472 -23.342  -8.800
  348   1HA   GLY  44          2HA       GLY  44   0.413 -21.791  -7.922
  349   2HA   GLY  44          1HA       GLY  44  -0.882 -21.046  -6.982
  350    H    GLY  45           H        GLY  45   0.737 -19.709  -9.053
  351   1HA   GLY  45          2HA       GLY  45  -1.155 -19.417 -11.319
  352   2HA   GLY  45          1HA       GLY  45   0.471 -18.737 -11.238
  353    H    ASP  46           H        ASP  46   0.716 -17.004  -9.381
  354    HA   ASP  46           HA       ASP  46  -1.645 -15.185  -9.573
  355   1HB   ASP  46          1HB       ASP  46  -0.201 -16.086  -7.058
  356   2HB   ASP  46          2HB       ASP  46  -1.387 -14.780  -7.105
  357    H    MET  47           H        MET  47  -1.025 -12.961  -9.644
  358    HA   MET  47           HA       MET  47   1.934 -12.453  -9.581
  359   1HB   MET  47          1HB       MET  47   0.234 -12.226 -11.668
  360   2HB   MET  47          2HB       MET  47   0.034 -10.621 -10.964
  361   1HG   MET  47          1HG       MET  47   2.528 -10.367 -10.972
  362   2HG   MET  47          2HG       MET  47   2.641 -11.907 -11.824
  363   1HE   MET  47          3HE       MET  47   1.829  -8.205 -11.886
  364   2HE   MET  47          2HE       MET  47   0.842  -7.963 -13.325
  365   3HE   MET  47          1HE       MET  47   0.184  -8.855 -11.955
  366    H    LYS  48           H        LYS  48   2.590 -11.127  -7.884
  367    HA   LYS  48           HA       LYS  48   0.667  -9.059  -6.887
  368   1HB   LYS  48          1HB       LYS  48   0.574 -11.105  -5.488
  369   2HB   LYS  48          2HB       LYS  48   2.317 -11.010  -5.245
  370   1HG   LYS  48          1HG       LYS  48   1.721  -8.545  -4.432
  371   2HG   LYS  48          2HG       LYS  48   0.151  -9.277  -4.117
  372   1HD   LYS  48          1HD       LYS  48   2.473 -10.869  -3.203
  373   2HD   LYS  48          2HD       LYS  48   2.242  -9.337  -2.360
  374   1HE   LYS  48          1HE       LYS  48   0.807 -10.619  -1.083
  375   2HE   LYS  48          2HE       LYS  48  -0.325 -10.243  -2.399
  376   1HZ   LYS  48          1HZ       LYS  48   0.476 -12.221  -3.573
  377   2HZ   LYS  48          3HZ       LYS  48   1.477 -12.604  -2.258
  378   3HZ   LYS  48          2HZ       LYS  48  -0.212 -12.625  -2.073
  379    H    GLU  49           H        GLU  49   1.729  -7.058  -6.957
  380    HA   GLU  49           HA       GLU  49   4.715  -7.097  -6.604
  381   1HB   GLU  49          1HB       GLU  49   2.929  -5.281  -8.258
  382   2HB   GLU  49          2HB       GLU  49   4.681  -5.148  -8.132
  383   1HG   GLU  49          1HG       GLU  49   5.061  -7.108  -9.338
  384   2HG   GLU  49          2HG       GLU  49   3.463  -7.759  -8.971
  385    H    TRP  50           H        TRP  50   5.597  -5.181  -5.433
  386    HA   TRP  50           HA       TRP  50   3.608  -4.085  -3.480
  387   1HB   TRP  50          1HB       TRP  50   6.643  -3.969  -3.483
  388   2HB   TRP  50          2HB       TRP  50   5.583  -3.573  -2.135
  389    HD1  TRP  50           HD1      TRP  50   7.621  -6.273  -3.405
  390    HE1  TRP  50           HE1      TRP  50   6.996  -8.521  -2.328
  391    HE3  TRP  50           HE3      TRP  50   3.123  -5.022  -1.322
  392    HZ2  TRP  50           HZ2      TRP  50   4.857  -9.651  -0.783
  393    HZ3  TRP  50           HZ3      TRP  50   1.820  -6.700  -0.051
  394    HH2  TRP  50           HH2      TRP  50   2.678  -9.012   0.219
  395    H    TYR  51           H        TYR  51   2.819  -2.017  -3.951
  396    HA   TYR  51           HA       TYR  51   4.795  -0.083  -5.065
  397   1HB   TYR  51          1HB       TYR  51   2.512   0.830  -6.218
  398   2HB   TYR  51          2HB       TYR  51   3.633  -0.254  -7.019
  399    HD1  TYR  51           HD1      TYR  51   0.695  -0.452  -4.679
  400    HD2  TYR  51           HD2      TYR  51   2.799  -2.110  -8.035
  401    HE1  TYR  51           HE1      TYR  51  -1.112  -2.147  -4.993
  402    HE2  TYR  51           HE2      TYR  51   1.014  -3.780  -8.356
  403    HH   TYR  51           HH       TYR  51  -1.675  -3.747  -7.641
  404    H    HIS  52           H        HIS  52   4.121   2.221  -4.674
  405    HA   HIS  52           HA       HIS  52   3.537   2.719  -1.930
  406   1HB   HIS  52          1HB       HIS  52   3.216   4.533  -4.346
  407   2HB   HIS  52          2HB       HIS  52   3.343   5.086  -2.684
  408    HD2  HIS  52           HD2      HIS  52   5.952   4.576  -1.471
  409    HE1  HIS  52           HE1      HIS  52   7.958   3.799  -5.118
  410    HE2  HIS  52           HE2      HIS  52   8.223   4.244  -2.660
  411    H    ILE  53           H        ILE  53   1.537   4.563  -1.618
  412    HA   ILE  53           HA       ILE  53  -0.906   2.929  -2.064
  413    HB   ILE  53           HB       ILE  53  -0.572   5.613  -0.674
  414   1HG1  ILE  53          1HG1      ILE  53   0.918   3.908   0.340
  415   2HG1  ILE  53          2HG1      ILE  53  -0.409   4.317   1.423
  416   1HG2  ILE  53          2HG2      ILE  53  -2.887   4.902  -1.311
  417   2HG2  ILE  53          1HG2      ILE  53  -2.667   3.445  -0.347
  418   3HG2  ILE  53          3HG2      ILE  53  -2.658   5.024   0.432
  419   1HD1  ILE  53          3HD1      ILE  53  -1.652   2.319   0.551
  420   2HD1  ILE  53          2HD1      ILE  53  -0.207   1.877  -0.357
  421   3HD1  ILE  53          1HD1      ILE  53  -0.165   1.906   1.406
  422    H    LYS  54           H        LYS  54   0.182   6.302  -2.743
  423    HA   LYS  54           HA       LYS  54  -2.058   7.105  -4.309
  424   1HB   LYS  54          1HB       LYS  54  -0.034   8.460  -3.452
  425   2HB   LYS  54          2HB       LYS  54   0.800   7.900  -4.903
  426   1HG   LYS  54          1HG       LYS  54  -0.838   8.937  -6.335
  427   2HG   LYS  54          2HG       LYS  54  -1.880   9.310  -4.961
  428   1HD   LYS  54          1HD       LYS  54  -0.337  10.920  -4.104
  429   2HD   LYS  54          2HD       LYS  54   0.938  10.384  -5.200
  430   1HE   LYS  54          1HE       LYS  54  -0.006  12.445  -6.095
  431   2HE   LYS  54          2HE       LYS  54  -0.552  11.109  -7.130
  432   1HZ   LYS  54          2HZ       LYS  54  -2.067  12.142  -4.791
  433   2HZ   LYS  54          1HZ       LYS  54  -2.386  12.583  -6.401
  434   3HZ   LYS  54          3HZ       LYS  54  -2.590  10.973  -5.908
  435    H    CYS  55           H        CYS  55   0.685   5.025  -5.219
  436    HA   CYS  55           HA       CYS  55   0.340   5.225  -8.074
  437   1HB   CYS  55          1HB       CYS  55   1.415   2.963  -6.343
  438   2HB   CYS  55          2HB       CYS  55   1.632   3.074  -8.091
  439    H    MET  56           H        MET  56  -1.164   3.063  -5.652
  440    HA   MET  56           HA       MET  56  -2.668   1.616  -7.736
  441   1HB   MET  56          1HB       MET  56  -1.874   0.745  -5.423
  442   2HB   MET  56          2HB       MET  56  -3.245   1.638  -4.764
  443   1HG   MET  56          1HG       MET  56  -4.013  -0.603  -5.151
  444   2HG   MET  56          2HG       MET  56  -4.709   0.395  -6.428
  445   1HE   MET  56          2HE       MET  56  -4.419   0.390  -8.555
  446   2HE   MET  56          1HE       MET  56  -3.553  -0.749  -9.584
  447   3HE   MET  56          3HE       MET  56  -4.947  -1.290  -8.637
  448    H    PHE  57           H        PHE  57  -3.348   4.164  -5.315
  449    HA   PHE  57           HA       PHE  57  -6.169   4.380  -6.019
  450   1HB   PHE  57          1HB       PHE  57  -4.171   6.035  -4.487
  451   2HB   PHE  57          2HB       PHE  57  -5.756   6.713  -4.863
  452    HD1  PHE  57           HD1      PHE  57  -7.829   5.611  -4.023
  453    HD2  PHE  57           HD2      PHE  57  -3.920   4.255  -2.876
  454    HE1  PHE  57           HE1      PHE  57  -8.823   4.330  -2.149
  455    HE2  PHE  57           HE2      PHE  57  -4.911   2.975  -1.002
  456    HZ   PHE  57           HZ       PHE  57  -7.364   3.012  -0.637
  457    H    GLU  58           H        GLU  58  -3.172   5.818  -7.326
  458    HA   GLU  58           HA       GLU  58  -4.456   7.937  -8.824
  459   1HB   GLU  58          1HB       GLU  58  -2.020   7.839  -8.370
  460   2HB   GLU  58          2HB       GLU  58  -1.892   6.398  -9.381
  461   1HG   GLU  58          1HG       GLU  58  -2.136   7.587 -11.339
  462   2HG   GLU  58          2HG       GLU  58  -3.167   8.807 -10.593
  463    H    LYS  59           H        LYS  59  -3.752   4.503  -9.586
  464    HA   LYS  59           HA       LYS  59  -4.471   4.555 -12.358
  465   1HB   LYS  59          1HB       LYS  59  -3.529   2.663 -10.752
  466   2HB   LYS  59          2HB       LYS  59  -5.235   2.240 -10.600
  467   1HG   LYS  59          1HG       LYS  59  -5.106   2.514 -13.275
  468   2HG   LYS  59          2HG       LYS  59  -3.437   2.038 -12.963
  469   1HD   LYS  59          1HD       LYS  59  -4.165   0.028 -11.814
  470   2HD   LYS  59          2HD       LYS  59  -5.853   0.527 -11.930
  471   1HE   LYS  59          1HE       LYS  59  -5.965   0.088 -14.227
  472   2HE   LYS  59          2HE       LYS  59  -4.212   0.253 -14.443
  473   1HZ   LYS  59          1HZ       LYS  59  -3.965  -1.709 -12.956
  474   2HZ   LYS  59          3HZ       LYS  59  -5.646  -1.925 -13.022
  475   3HZ   LYS  59          2HZ       LYS  59  -4.717  -2.064 -14.437
  476    H    LEU  60           H        LEU  60  -6.533   4.282  -9.446
  477    HA   LEU  60           HA       LEU  60  -9.005   3.803 -10.907
  478   1HB   LEU  60          1HB       LEU  60  -8.223   4.662  -8.128
  479   2HB   LEU  60          2HB       LEU  60  -9.911   4.810  -8.618
  480    HG   LEU  60           HG       LEU  60  -9.886   2.402  -9.285
  481   1HD1  LEU  60          3HD1      LEU  60  -7.085   2.596  -8.153
  482   2HD1  LEU  60          2HD1      LEU  60  -7.938   1.060  -8.316
  483   3HD1  LEU  60          1HD1      LEU  60  -7.570   2.021  -9.749
  484   1HD2  LEU  60          2HD2      LEU  60  -9.290   3.298  -6.476
  485   2HD2  LEU  60          1HD2      LEU  60 -10.803   2.696  -7.153
  486   3HD2  LEU  60          3HD2      LEU  60  -9.482   1.578  -6.815
  487    H    GLU  61           H        GLU  61  -7.418   6.774  -9.649
  488    HA   GLU  61           HA       GLU  61  -9.545   8.571 -10.474
  489   1HB   GLU  61          1HB       GLU  61  -6.664   8.821  -9.661
  490   2HB   GLU  61          2HB       GLU  61  -7.469  10.222 -10.369
  491   1HG   GLU  61          1HG       GLU  61  -8.943   8.756  -8.234
  492   2HG   GLU  61          2HG       GLU  61  -7.548   9.713  -7.731
  493    H    ARG  62           H        ARG  62  -6.636   7.316 -12.130
  494    HA   ARG  62           HA       ARG  62  -7.000   9.092 -14.452
  495   1HB   ARG  62          1HB       ARG  62  -4.868   7.825 -13.434
  496   2HB   ARG  62          2HB       ARG  62  -5.376   6.579 -14.575
  497   1HG   ARG  62          1HG       ARG  62  -5.262   9.401 -15.553
  498   2HG   ARG  62          2HG       ARG  62  -3.736   8.546 -15.319
  499   1HD   ARG  62          1HD       ARG  62  -4.747   6.635 -16.695
  500   2HD   ARG  62          2HD       ARG  62  -6.034   7.774 -17.136
  501    HE   ARG  62           HE       ARG  62  -4.334   9.219 -18.155
  502   1HH1  ARG  62          1HH1      ARG  62  -3.224   8.171 -20.089
  503   2HH1  ARG  62          2HH1      ARG  62  -1.791   7.289 -19.677
  504   1HH2  ARG  62          1HH2      ARG  62  -2.499   7.207 -16.283
  505   2HH2  ARG  62          2HH2      ARG  62  -1.380   6.744 -17.522
  506    H    ALA  63           H        ALA  63  -7.786   5.672 -13.655
  507    HA   ALA  63           HA       ALA  63  -9.407   5.592 -16.181
  508   1HB   ALA  63          3HB       ALA  63  -8.724   2.991 -15.695
  509   2HB   ALA  63          2HB       ALA  63  -7.794   4.066 -16.739
  510   3HB   ALA  63          1HB       ALA  63  -7.306   3.829 -15.061
  511    H    ARG  64           H        ARG  64 -11.519   4.686 -15.930
  512    HA   ARG  64           HA       ARG  64 -12.259   3.930 -13.120
  513   1HB   ARG  64          1HB       ARG  64 -13.692   5.330 -15.386
  514   2HB   ARG  64          2HB       ARG  64 -14.571   4.674 -14.004
  515   1HG   ARG  64          1HG       ARG  64 -12.185   6.382 -13.443
  516   2HG   ARG  64          2HG       ARG  64 -13.651   7.184 -14.008
  517   1HD   ARG  64          1HD       ARG  64 -14.328   5.221 -11.976
  518   2HD   ARG  64          2HD       ARG  64 -13.104   6.351 -11.364
  519    HE   ARG  64           HE       ARG  64 -15.681   7.234 -12.611
  520   1HH1  ARG  64          1HH1      ARG  64 -16.631   8.266 -10.598
  521   2HH1  ARG  64          2HH1      ARG  64 -15.610   9.461  -9.871
  522   1HH2  ARG  64          1HH2      ARG  64 -12.782   8.499 -11.630
  523   2HH2  ARG  64          2HH2      ARG  64 -13.431   9.593 -10.455
  524    H    ALA  65           H        ALA  65 -12.113   1.638 -13.196
  525    HA   ALA  65           HA       ALA  65 -13.244   0.195 -15.533
  526   1HB   ALA  65          3HB       ALA  65 -11.642  -0.495 -13.088
  527   2HB   ALA  65          1HB       ALA  65 -11.264  -0.788 -14.786
  528   3HB   ALA  65          2HB       ALA  65 -12.470  -1.781 -13.967
  529    H    THR  66           H        THR  66 -14.737   1.548 -12.835
  530    HA   THR  66           HA       THR  66 -16.757   1.091 -11.725
  531    HB   THR  66           HB       THR  66 -17.386  -0.931 -13.847
  532    HG1  THR  66           HG1      THR  66 -17.509   0.631 -15.384
  533   1HG2  THR  66          3HG2      THR  66 -18.795   1.308 -12.406
  534   2HG2  THR  66          2HG2      THR  66 -19.464   0.618 -13.885
  535   3HG2  THR  66          1HG2      THR  66 -19.221  -0.402 -12.468
  536    H    THR  67           H        THR  67 -14.408  -0.538 -10.957
  537    HA   THR  67           HA       THR  67 -15.761  -3.116 -10.230
  538    HB   THR  67           HB       THR  67 -13.328  -3.882 -10.035
  539    HG1  THR  67           HG1      THR  67 -12.311  -1.921  -9.905
  540   1HG2  THR  67          2HG2      THR  67 -14.980  -4.009 -12.104
  541   2HG2  THR  67          1HG2      THR  67 -13.812  -2.897 -12.819
  542   3HG2  THR  67          3HG2      THR  67 -13.291  -4.491 -12.269
  543    H    LYS  68           H        LYS  68 -15.135  -3.950  -8.012
  544    HA   LYS  68           HA       LYS  68 -14.845  -1.669  -6.102
  545   1HB   LYS  68          1HB       LYS  68 -15.869  -4.502  -5.990
  546   2HB   LYS  68          2HB       LYS  68 -15.451  -3.661  -4.496
  547   1HG   LYS  68          1HG       LYS  68 -17.268  -2.418  -6.565
  548   2HG   LYS  68          2HG       LYS  68 -17.890  -3.463  -5.286
  549   1HD   LYS  68          1HD       LYS  68 -16.892  -1.989  -3.583
  550   2HD   LYS  68          2HD       LYS  68 -16.253  -0.946  -4.854
  551   1HE   LYS  68          1HE       LYS  68 -18.221   0.199  -4.501
  552   2HE   LYS  68          2HE       LYS  68 -18.887  -1.048  -5.575
  553   1HZ   LYS  68          3HZ       LYS  68 -19.222  -2.451  -3.585
  554   2HZ   LYS  68          2HZ       LYS  68 -18.745  -1.145  -2.607
  555   3HZ   LYS  68          1HZ       LYS  68 -20.154  -1.034  -3.552
  556    H    LYS  69           H        LYS  69 -12.540  -1.299  -6.114
  557    HA   LYS  69           HA       LYS  69 -10.868  -3.634  -5.236
  558   1HB   LYS  69          1HB       LYS  69 -10.362  -1.200  -6.957
  559   2HB   LYS  69          2HB       LYS  69  -9.032  -2.140  -6.278
  560   1HG   LYS  69          1HG       LYS  69 -10.286  -4.192  -7.296
  561   2HG   LYS  69          2HG       LYS  69 -11.105  -2.986  -8.289
  562   1HD   LYS  69          1HD       LYS  69  -8.093  -3.230  -8.058
  563   2HD   LYS  69          2HD       LYS  69  -9.044  -3.929  -9.369
  564   1HE   LYS  69          1HE       LYS  69  -9.617  -1.072  -8.866
  565   2HE   LYS  69          2HE       LYS  69  -7.973  -1.403  -9.446
  566   1HZ   LYS  69          2HZ       LYS  69 -10.395  -2.622 -10.653
  567   2HZ   LYS  69          1HZ       LYS  69  -9.698  -1.186 -11.237
  568   3HZ   LYS  69          3HZ       LYS  69  -8.811  -2.632 -11.268
  569    H    ILE  70           H        ILE  70  -9.857  -3.408  -3.219
  570    HA   ILE  70           HA       ILE  70  -9.262  -2.423  -1.160
  571    HB   ILE  70           HB       ILE  70  -8.810  -0.082  -3.046
  572   1HG1  ILE  70          1HG1      ILE  70  -6.888  -2.242  -2.118
  573   2HG1  ILE  70          2HG1      ILE  70  -7.681  -2.231  -3.694
  574   1HG2  ILE  70          3HG2      ILE  70  -8.121  -0.617  -0.190
  575   2HG2  ILE  70          2HG2      ILE  70  -6.899   0.177  -1.183
  576   3HG2  ILE  70          1HG2      ILE  70  -8.489   0.911  -0.990
  577   1HD1  ILE  70          1HD1      ILE  70  -6.136   0.183  -2.781
  578   2HD1  ILE  70          3HD1      ILE  70  -5.282  -1.199  -3.470
  579   3HD1  ILE  70          2HD1      ILE  70  -6.498  -0.349  -4.425
  580    H    GLU  71           H        GLU  71 -11.345  -2.362  -0.086
  581    HA   GLU  71           HA       GLU  71 -12.865   0.210  -0.393
  582   1HB   GLU  71          1HB       GLU  71 -13.721  -2.334  -0.768
  583   2HB   GLU  71          2HB       GLU  71 -14.039  -2.169   0.959
  584   1HG   GLU  71          1HG       GLU  71 -15.097   0.137   0.247
  585   2HG   GLU  71          2HG       GLU  71 -15.216  -0.634  -1.336
  586    H    ASP  72           H        ASP  72 -12.993   1.538   1.449
  587    HA   ASP  72           HA       ASP  72 -12.551   2.283   3.644
  588   1HB   ASP  72          1HB       ASP  72 -14.237   0.128   3.668
  589   2HB   ASP  72          2HB       ASP  72 -12.955  -0.443   4.735
  590    H    LEU  73           H        LEU  73 -11.349   1.000   5.871
  591    HA   LEU  73           HA       LEU  73  -8.615   0.419   4.779
  592   1HB   LEU  73          1HB       LEU  73  -8.887   2.475   6.116
  593   2HB   LEU  73          2HB       LEU  73  -9.548   1.527   7.450
  594    HG   LEU  73           HG       LEU  73  -7.336   0.185   7.330
  595   1HD1  LEU  73          3HD1      LEU  73  -6.762   1.290   5.089
  596   2HD1  LEU  73          2HD1      LEU  73  -6.359   2.730   6.025
  597   3HD1  LEU  73          1HD1      LEU  73  -5.470   1.229   6.287
  598   1HD2  LEU  73          3HD2      LEU  73  -7.876   2.879   8.446
  599   2HD2  LEU  73          2HD2      LEU  73  -7.352   1.407   9.262
  600   3HD2  LEU  73          1HD2      LEU  73  -6.178   2.408   8.408
  601    H    THR  74           H        THR  74 -10.573  -0.380   7.730
  602    HA   THR  74           HA       THR  74  -9.057  -2.795   8.283
  603    HB   THR  74           HB       THR  74 -11.600  -3.119   9.423
  604    HG1  THR  74           HG1      THR  74 -12.264  -1.109   9.985
  605   1HG2  THR  74          3HG2      THR  74  -9.020  -1.864  10.324
  606   2HG2  THR  74          2HG2      THR  74 -10.414  -1.897  11.404
  607   3HG2  THR  74          1HG2      THR  74  -9.729  -3.408  10.803
  608    H    GLU  75           H        GLU  75  -9.045  -3.792   6.087
  609    HA   GLU  75           HA       GLU  75 -11.207  -5.747   5.771
  610   1HB   GLU  75          1HB       GLU  75 -11.827  -3.345   4.794
  611   2HB   GLU  75          2HB       GLU  75 -10.861  -3.911   3.430
  612   1HG   GLU  75          1HG       GLU  75 -12.260  -5.957   3.310
  613   2HG   GLU  75          2HG       GLU  75 -13.249  -5.342   4.634
  614    H    LEU  76           H        LEU  76  -8.644  -4.078   3.828
  615    HA   LEU  76           HA       LEU  76  -7.912  -6.405   2.294
  616   1HB   LEU  76          1HB       LEU  76  -6.341  -3.934   3.117
  617   2HB   LEU  76          2HB       LEU  76  -5.782  -5.095   1.912
  618    HG   LEU  76           HG       LEU  76  -8.400  -3.572   1.744
  619   1HD1  LEU  76          3HD1      LEU  76  -5.707  -3.125   0.431
  620   2HD1  LEU  76          2HD1      LEU  76  -7.202  -2.392  -0.150
  621   3HD1  LEU  76          1HD1      LEU  76  -6.596  -2.001   1.459
  622   1HD2  LEU  76          1HD2      LEU  76  -7.032  -5.653   0.082
  623   2HD2  LEU  76          3HD2      LEU  76  -8.749  -5.450   0.428
  624   3HD2  LEU  76          2HD2      LEU  76  -7.954  -4.400  -0.746
  625    H    GLU  77           H        GLU  77  -6.132  -7.910   2.625
  626    HA   GLU  77           HA       GLU  77  -5.663  -8.578   5.454
  627   1HB   GLU  77          1HB       GLU  77  -5.975 -10.255   3.622
  628   2HB   GLU  77          2HB       GLU  77  -4.449  -9.724   2.913
  629   1HG   GLU  77          1HG       GLU  77  -3.557 -10.197   5.382
  630   2HG   GLU  77          2HG       GLU  77  -4.937 -11.296   5.411
  631    H    GLY  78           H        GLY  78  -4.060  -7.551   6.669
  632   1HA   GLY  78          2HA       GLY  78  -1.796  -6.308   5.221
  633   2HA   GLY  78          1HA       GLY  78  -1.401  -7.558   6.397
  634    H    TRP  79           H        TRP  79  -3.947  -5.017   6.657
  635    HA   TRP  79           HA       TRP  79  -2.472  -3.212   8.303
  636   1HB   TRP  79          1HB       TRP  79  -4.663  -2.327   8.953
  637   2HB   TRP  79          2HB       TRP  79  -4.673  -2.738   7.242
  638    HD1  TRP  79           HD1      TRP  79  -6.475  -4.366   6.441
  639    HE1  TRP  79           HE1      TRP  79  -8.263  -5.821   7.592
  640    HE3  TRP  79           HE3      TRP  79  -5.088  -3.765  11.315
  641    HZ2  TRP  79           HZ2      TRP  79  -9.011  -6.619  10.235
  642    HZ3  TRP  79           HZ3      TRP  79  -6.358  -4.877  13.129
  643    HH2  TRP  79           HH2      TRP  79  -8.316  -6.301  12.596
  644    H    GLU  80           H        GLU  80  -4.038  -6.275   9.206
  645    HA   GLU  80           HA       GLU  80  -4.252  -5.960  12.011
  646   1HB   GLU  80          1HB       GLU  80  -4.906  -7.940  10.529
  647   2HB   GLU  80          2HB       GLU  80  -3.223  -8.458  10.639
  648   1HG   GLU  80          1HG       GLU  80  -4.142  -9.614  12.432
  649   2HG   GLU  80          2HG       GLU  80  -3.620  -8.131  13.233
  650    H    GLU  81           H        GLU  81  -1.264  -6.366  10.089
  651    HA   GLU  81           HA       GLU  81   0.274  -6.588  12.652
  652   1HB   GLU  81          1HB       GLU  81   0.641  -7.492   9.826
  653   2HB   GLU  81          2HB       GLU  81   2.084  -7.186  10.793
  654   1HG   GLU  81          1HG       GLU  81   1.147  -8.681  12.571
  655   2HG   GLU  81          2HG       GLU  81  -0.189  -9.069  11.486
  656    H    LEU  82           H        LEU  82  -0.753  -3.945  11.281
  657    HA   LEU  82           HA       LEU  82   1.934  -2.680  10.901
  658   1HB   LEU  82          1HB       LEU  82  -0.811  -1.696  10.042
  659   2HB   LEU  82          2HB       LEU  82   0.741  -1.040   9.542
  660    HG   LEU  82           HG       LEU  82  -0.425  -3.746   8.828
  661   1HD1  LEU  82          2HD1      LEU  82   0.411  -1.331   7.197
  662   2HD1  LEU  82          1HD1      LEU  82  -0.128  -2.866   6.513
  663   3HD1  LEU  82          3HD1      LEU  82  -1.239  -1.889   7.475
  664   1HD2  LEU  82          1HD2      LEU  82   2.377  -2.873   8.968
  665   2HD2  LEU  82          3HD2      LEU  82   1.720  -4.494   8.753
  666   3HD2  LEU  82          2HD2      LEU  82   1.922  -3.435   7.360
  667    H    GLU  83           H        GLU  83   1.119   0.020  11.371
  668    HA   GLU  83           HA       GLU  83   0.664  -0.095  14.325
  669   1HB   GLU  83          1HB       GLU  83   1.927   1.819  12.379
  670   2HB   GLU  83          2HB       GLU  83   1.403   2.412  13.955
  671   1HG   GLU  83          1HG       GLU  83   2.694   0.208  14.772
  672   2HG   GLU  83          2HG       GLU  83   3.591   0.502  13.281
  673    H    ASP  84           H        ASP  84  -0.793   1.610  15.295
  674    HA   ASP  84           HA       ASP  84  -3.328   1.764  13.828
  675   1HB   ASP  84          1HB       ASP  84  -2.295   2.708  16.499
  676   2HB   ASP  84          2HB       ASP  84  -3.883   3.223  15.929
  677    H    ASN  85           H        ASN  85  -0.916   4.202  14.911
  678    HA   ASN  85           HA       ASN  85  -2.262   6.484  13.782
  679   1HB   ASN  85          1HB       ASN  85   0.505   5.807  14.687
  680   2HB   ASN  85          2HB       ASN  85   0.334   7.227  13.656
  681   1HD2  ASN  85          2HD2      ASN  85  -1.740   5.880  16.331
  682   2HD2  ASN  85          1HD2      ASN  85  -1.798   7.343  17.189
  683    H    GLU  86           H        GLU  86   0.274   4.352  12.402
  684    HA   GLU  86           HA       GLU  86   0.437   5.683   9.847
  685   1HB   GLU  86          1HB       GLU  86   1.154   3.002  10.968
  686   2HB   GLU  86          2HB       GLU  86   1.095   3.149   9.212
  687   1HG   GLU  86          1HG       GLU  86   2.689   4.973   9.249
  688   2HG   GLU  86          2HG       GLU  86   2.648   5.031  11.011
  689    H    LYS  87           H        LYS  87  -1.671   3.035  11.028
  690    HA   LYS  87           HA       LYS  87  -2.965   2.383   8.571
  691   1HB   LYS  87          1HB       LYS  87  -3.622   2.228  11.476
  692   2HB   LYS  87          2HB       LYS  87  -4.979   2.082  10.360
  693   1HG   LYS  87          1HG       LYS  87  -3.824   0.268   9.167
  694   2HG   LYS  87          2HG       LYS  87  -2.443   0.420  10.253
  695   1HD   LYS  87          1HD       LYS  87  -5.057   0.084  11.602
  696   2HD   LYS  87          2HD       LYS  87  -4.521  -1.308  10.662
  697   1HE   LYS  87          1HE       LYS  87  -2.204  -0.803  11.899
  698   2HE   LYS  87          2HE       LYS  87  -3.296  -0.097  13.107
  699   1HZ   LYS  87          2HZ       LYS  87  -4.649  -2.155  12.921
  700   2HZ   LYS  87          1HZ       LYS  87  -3.421  -2.834  11.962
  701   3HZ   LYS  87          3HZ       LYS  87  -3.102  -2.417  13.574
  702    H    GLU  88           H        GLU  88  -3.614   5.054  10.864
  703    HA   GLU  88           HA       GLU  88  -6.041   6.037   9.716
  704   1HB   GLU  88          1HB       GLU  88  -4.555   6.755  11.819
  705   2HB   GLU  88          2HB       GLU  88  -3.935   7.949  10.677
  706   1HG   GLU  88          1HG       GLU  88  -6.502   8.327  10.163
  707   2HG   GLU  88          2HG       GLU  88  -6.708   7.639  11.774
  708    H    GLN  89           H        GLN  89  -2.628   6.632   8.766
  709    HA   GLN  89           HA       GLN  89  -3.121   8.660   6.799
  710   1HB   GLN  89          1HB       GLN  89  -0.907   7.477   7.795
  711   2HB   GLN  89          2HB       GLN  89  -1.028   6.590   6.275
  712   1HG   GLN  89          1HG       GLN  89   0.348   8.555   5.905
  713   2HG   GLN  89          2HG       GLN  89  -1.191   8.788   5.075
  714   1HE2  GLN  89          1HE2      GLN  89   0.000   9.333   8.477
  715   2HE2  GLN  89          2HE2      GLN  89  -0.659  10.893   8.589
  716    H    ILE  90           H        ILE  90  -3.184   5.089   6.518
  717    HA   ILE  90           HA       ILE  90  -3.660   5.031   3.656
  718    HB   ILE  90           HB       ILE  90  -4.393   3.058   5.858
  719   1HG1  ILE  90          1HG1      ILE  90  -2.105   2.691   3.971
  720   2HG1  ILE  90          2HG1      ILE  90  -1.908   3.860   5.277
  721   1HG2  ILE  90          3HG2      ILE  90  -5.629   2.717   3.698
  722   2HG2  ILE  90          2HG2      ILE  90  -4.074   2.576   2.880
  723   3HG2  ILE  90          1HG2      ILE  90  -4.540   1.387   4.096
  724   1HD1  ILE  90          3HD1      ILE  90  -2.993   1.799   6.662
  725   2HD1  ILE  90          2HD1      ILE  90  -2.138   0.904   5.404
  726   3HD1  ILE  90          1HD1      ILE  90  -1.254   2.012   6.455
  727    H    THR  91           H        THR  91  -5.875   5.198   6.487
  728    HA   THR  91           HA       THR  91  -8.332   4.876   5.027
  729    HB   THR  91           HB       THR  91  -8.168   6.789   7.330
  730    HG1  THR  91           HG1      THR  91  -7.742   5.123   8.737
  731   1HG2  THR  91          3HG2      THR  91 -10.014   4.732   6.233
  732   2HG2  THR  91          2HG2      THR  91  -9.997   4.925   7.986
  733   3HG2  THR  91          1HG2      THR  91 -10.376   6.302   6.951
  734    H    GLN  92           H        GLN  92  -6.321   7.772   5.652
  735    HA   GLN  92           HA       GLN  92  -8.082   9.766   4.607
  736   1HB   GLN  92          1HB       GLN  92  -5.803  10.023   5.773
  737   2HB   GLN  92          2HB       GLN  92  -5.075   9.705   4.197
  738   1HG   GLN  92          1HG       GLN  92  -5.216  12.057   4.269
  739   2HG   GLN  92          2HG       GLN  92  -6.636  11.590   3.334
  740   1HE2  GLN  92          1HE2      GLN  92  -6.219  14.026   5.151
  741   2HE2  GLN  92          2HE2      GLN  92  -7.497  13.939   6.265
  742    H    HIS  93           H        HIS  93  -5.829   7.554   2.892
  743    HA   HIS  93           HA       HIS  93  -5.998   8.676   0.272
  744   1HB   HIS  93          1HB       HIS  93  -5.442   5.999   1.465
  745   2HB   HIS  93          2HB       HIS  93  -5.885   6.002  -0.238
  746    HD1  HIS  93           HD1      HIS  93  -4.173   6.861  -1.899
  747    HD2  HIS  93           HD2      HIS  93  -3.024   7.492   2.058
  748    HE1  HIS  93           HE1      HIS  93  -1.734   7.536  -1.959
  749    H    ILE  94           H        ILE  94  -8.077   6.099   1.725
  750    HA   ILE  94           HA       ILE  94  -9.884   5.925  -0.515
  751    HB   ILE  94           HB       ILE  94 -10.279   5.347   2.448
  752   1HG1  ILE  94          1HG1      ILE  94 -10.167   2.959   0.989
  753   2HG1  ILE  94          2HG1      ILE  94  -8.936   3.968   0.235
  754   1HG2  ILE  94          2HG2      ILE  94 -12.449   5.631   1.286
  755   2HG2  ILE  94          1HG2      ILE  94 -11.946   4.458   0.069
  756   3HG2  ILE  94          3HG2      ILE  94 -12.183   3.948   1.741
  757   1HD1  ILE  94          3HD1      ILE  94  -8.564   4.399   2.965
  758   2HD1  ILE  94          2HD1      ILE  94  -8.923   2.677   2.854
  759   3HD1  ILE  94          1HD1      ILE  94  -7.581   3.361   1.931
  760    H    ALA  95           H        ALA  95  -9.908   8.003   2.402
  761    HA   ALA  95           HA       ALA  95 -12.497   9.195   1.883
  762   1HB   ALA  95          1HB       ALA  95 -11.431  11.072   3.355
  763   2HB   ALA  95          2HB       ALA  95 -10.052   9.980   3.476
  764   3HB   ALA  95          3HB       ALA  95 -11.633   9.474   4.073
  765    H    ASP  96           H        ASP  96  -9.162  10.126   0.940
  766    HA   ASP  96           HA       ASP  96  -9.880  12.616  -0.346
  767   1HB   ASP  96          1HB       ASP  96  -7.553  11.867   0.251
  768   2HB   ASP  96          2HB       ASP  96  -7.638  10.682  -1.054
  769    H    LEU  97           H        LEU  97  -9.661   9.247  -1.577
  770    HA   LEU  97           HA       LEU  97 -10.457  10.008  -4.302
  771   1HB   LEU  97          1HB       LEU  97  -9.152   7.900  -3.314
  772   2HB   LEU  97          2HB       LEU  97 -10.779   7.230  -3.205
  773    HG   LEU  97           HG       LEU  97 -10.967   8.150  -5.686
  774   1HD1  LEU  97          1HD1      LEU  97  -8.038   8.083  -5.074
  775   2HD1  LEU  97          3HD1      LEU  97  -8.568   7.554  -6.670
  776   3HD1  LEU  97          2HD1      LEU  97  -8.939   9.185  -6.114
  777   1HD2  LEU  97          3HD2      LEU  97  -9.753   5.624  -4.613
  778   2HD2  LEU  97          2HD2      LEU  97 -11.290   5.857  -5.446
  779   3HD2  LEU  97          1HD2      LEU  97  -9.781   5.875  -6.359
  780    H    SER  98           H        SER  98 -12.143   8.794  -1.375
  781    HA   SER  98           HA       SER  98 -14.733   8.906  -2.876
  782   1HB   SER  98          1HB       SER  98 -14.010   7.687  -0.188
  783   2HB   SER  98          2HB       SER  98 -15.548   7.495  -1.029
  784    HG   SER  98           HG       SER  98 -14.068   5.743  -1.368
  785    H    SER  99           H        SER  99 -14.235  11.444  -2.562
  786    HA   SER  99           HA       SER  99 -15.051  12.341   0.174
  787   1HB   SER  99          1HB       SER  99 -14.330  14.208  -2.055
  788   2HB   SER  99          2HB       SER  99 -13.941  14.316  -0.341
  789    HG   SER  99           HG       SER  99 -12.123  13.751  -1.627
  790    H    LYS 100           H        LYS 100 -16.699  14.229   0.197
  791    HA   LYS 100           HA       LYS 100 -18.802  13.739  -1.890
  792   1HB   LYS 100          1HB       LYS 100 -18.794  14.142   1.081
  793   2HB   LYS 100          2HB       LYS 100 -20.206  14.674   0.167
  794   1HG   LYS 100          1HG       LYS 100 -19.103  11.944  -0.376
  795   2HG   LYS 100          2HG       LYS 100 -20.056  12.192   1.088
  796   1HD   LYS 100          1HD       LYS 100 -21.658  13.454  -0.659
  797   2HD   LYS 100          2HD       LYS 100 -20.902  12.308  -1.767
  798   1HE   LYS 100          1HE       LYS 100 -22.714  11.045  -0.980
  799   2HE   LYS 100          2HE       LYS 100 -21.454  10.575   0.178
  800   1HZ   LYS 100          1HZ       LYS 100 -23.322  12.857   0.548
  801   2HZ   LYS 100          3HZ       LYS 100 -23.512  11.337   1.277
  802   3HZ   LYS 100          2HZ       LYS 100 -22.169  12.302   1.667
  803    H    ALA 101           H        ALA 101 -20.438  15.828  -1.731
  804    HA   ALA 101           HA       ALA 101 -18.716  18.287  -1.832
  805   1HB   ALA 101          3HB       ALA 101 -21.092  17.684  -3.606
  806   2HB   ALA 101          1HB       ALA 101 -19.463  17.157  -4.028
  807   3HB   ALA 101          2HB       ALA 101 -19.820  18.877  -3.864
  808    H    ALA 102           H        ALA 102 -20.809  20.142  -2.299
  809    HA   ALA 102           HA       ALA 102 -22.380  19.886   0.245
  810   1HB   ALA 102          1HB       ALA 102 -20.719  21.747  -0.003
  811   2HB   ALA 102          2HB       ALA 102 -22.367  22.334   0.213
  812   3HB   ALA 102          3HB       ALA 102 -21.636  22.334  -1.391
  813    H    GLY 103           H        GLY 103 -24.242  18.755  -0.652
  814   1HA   GLY 103          2HA       GLY 103 -25.948  20.490  -2.363
  815   2HA   GLY 103          1HA       GLY 103 -26.519  19.144  -1.374
  816    H    THR 104           H        THR 104 -27.451  17.782  -2.942
  817    HA   THR 104           HA       THR 104 -25.839  17.170  -5.380
  818    HB   THR 104           HB       THR 104 -25.256  15.536  -3.639
  819    HG1  THR 104           HG1      THR 104 -25.315  14.563  -5.567
  820   1HG2  THR 104          1HG2      THR 104 -28.100  15.715  -3.074
  821   2HG2  THR 104          3HG2      THR 104 -27.603  14.039  -3.294
  822   3HG2  THR 104          2HG2      THR 104 -26.807  15.043  -2.084
  823    HA   PRO 105           HA       PRO 105 -29.876  17.372  -7.179
  824   1HB   PRO 105          1HB       PRO 105 -29.423  16.052  -9.531
  825   2HB   PRO 105          2HB       PRO 105 -28.839  17.699  -9.221
  826   1HG   PRO 105          1HG       PRO 105 -27.366  15.121  -9.135
  827   2HG   PRO 105          2HG       PRO 105 -26.826  16.715  -9.683
  828   1HD   PRO 105          1HD       PRO 105 -26.178  15.623  -7.252
  829   2HD   PRO 105          2HD       PRO 105 -26.213  17.367  -7.586
  830    H    LYS 106           H        LYS 106 -28.247  14.151  -7.402
  831    HA   LYS 106           HA       LYS 106 -30.754  12.894  -6.401
  832   1HB   LYS 106          1HB       LYS 106 -30.683  11.282  -8.300
  833   2HB   LYS 106          2HB       LYS 106 -30.919  12.939  -8.854
  834   1HG   LYS 106          1HG       LYS 106 -28.471  13.109  -9.295
  835   2HG   LYS 106          2HG       LYS 106 -28.295  11.417  -8.829
  836   1HD   LYS 106          1HD       LYS 106 -29.366  10.637 -10.726
  837   2HD   LYS 106          2HD       LYS 106 -30.334  12.100 -10.909
  838   1HE   LYS 106          1HE       LYS 106 -28.047  13.273 -11.396
  839   2HE   LYS 106          2HE       LYS 106 -27.469  11.626 -11.721
  840   1HZ   LYS 106          1HZ       LYS 106 -29.954  12.762 -12.883
  841   2HZ   LYS 106          3HZ       LYS 106 -28.463  12.756 -13.691
  842   3HZ   LYS 106          2HZ       LYS 106 -29.213  11.286 -13.284
  843    H    LYS 107           H        LYS 107 -30.114  10.248  -6.476
  844    HA   LYS 107           HA       LYS 107 -27.320   9.974  -5.448
  845   1HB   LYS 107          1HB       LYS 107 -29.199  10.419  -3.697
  846   2HB   LYS 107          2HB       LYS 107 -29.704   8.766  -4.047
  847   1HG   LYS 107          1HG       LYS 107 -27.448   7.948  -3.481
  848   2HG   LYS 107          2HG       LYS 107 -26.934   9.600  -3.136
  849   1HD   LYS 107          1HD       LYS 107 -28.388   9.775  -1.261
  850   2HD   LYS 107          2HD       LYS 107 -29.288   8.333  -1.730
  851   1HE   LYS 107          1HE       LYS 107 -26.944   7.140  -1.481
  852   2HE   LYS 107          2HE       LYS 107 -26.580   8.532  -0.444
  853   1HZ   LYS 107          1HZ       LYS 107 -28.729   8.121   0.688
  854   2HZ   LYS 107          3HZ       LYS 107 -28.898   6.689  -0.204
  855   3HZ   LYS 107          2HZ       LYS 107 -27.613   6.857   0.895
  856    H    LYS 108           H        LYS 108 -26.460   8.376  -6.801
  857    HA   LYS 108           HA       LYS 108 -28.199   5.999  -7.386
  858   1HB   LYS 108          1HB       LYS 108 -26.570   7.820  -9.079
  859   2HB   LYS 108          2HB       LYS 108 -26.482   6.105  -9.483
  860   1HG   LYS 108          1HG       LYS 108 -29.051   6.117  -9.375
  861   2HG   LYS 108          2HG       LYS 108 -28.927   7.877  -9.398
  862   1HD   LYS 108          1HD       LYS 108 -27.572   6.135 -11.465
  863   2HD   LYS 108          2HD       LYS 108 -29.213   6.749 -11.675
  864   1HE   LYS 108          1HE       LYS 108 -28.497   8.906 -12.028
  865   2HE   LYS 108          2HE       LYS 108 -27.156   8.753 -10.876
  866   1HZ   LYS 108          2HZ       LYS 108 -27.295   7.424 -13.533
  867   2HZ   LYS 108          1HZ       LYS 108 -26.361   8.798 -13.179
  868   3HZ   LYS 108          3HZ       LYS 108 -26.007   7.319 -12.430
  869    H    ALA 109           H        ALA 109 -26.534   5.966  -5.099
  870    HA   ALA 109           HA       ALA 109 -24.302   4.171  -5.998
  871   1HB   ALA 109          3HB       ALA 109 -22.833   5.361  -4.687
  872   2HB   ALA 109          1HB       ALA 109 -24.059   5.722  -3.471
  873   3HB   ALA 109          2HB       ALA 109 -23.996   6.657  -4.964
  874    H    VAL 110           H        VAL 110 -25.099   2.118  -5.400
  875    HA   VAL 110           HA       VAL 110 -26.260   1.869  -2.640
  876    HB   VAL 110           HB       VAL 110 -26.691   0.225  -5.161
  877   1HG1  VAL 110          2HG1      VAL 110 -27.880   0.053  -2.379
  878   2HG1  VAL 110          1HG1      VAL 110 -28.583  -0.747  -3.785
  879   3HG1  VAL 110          3HG1      VAL 110 -26.969  -1.193  -3.231
  880   1HG2  VAL 110          2HG2      VAL 110 -28.349   2.332  -3.750
  881   2HG2  VAL 110          1HG2      VAL 110 -27.782   2.347  -5.420
  882   3HG2  VAL 110          3HG2      VAL 110 -29.035   1.208  -4.925
  883    H    VAL 111           H        VAL 111 -25.116   0.518  -1.225
  884    HA   VAL 111           HA       VAL 111 -23.052  -1.302  -2.432
  885    HB   VAL 111           HB       VAL 111 -22.934   0.381   0.097
  886   1HG1  VAL 111          1HG1      VAL 111 -21.149  -1.717  -1.087
  887   2HG1  VAL 111          3HG1      VAL 111 -20.415  -0.362  -0.230
  888   3HG1  VAL 111          2HG1      VAL 111 -21.553  -1.419   0.604
  889   1HG2  VAL 111          2HG2      VAL 111 -22.750   1.618  -2.098
  890   2HG2  VAL 111          1HG2      VAL 111 -21.307   1.728  -1.090
  891   3HG2  VAL 111          3HG2      VAL 111 -21.338   0.631  -2.470
  892    H    GLN 112           H        GLN 112 -23.418  -3.450  -1.848
  893    HA   GLN 112           HA       GLN 112 -24.874  -3.961   0.728
  894   1HB   GLN 112          1HB       GLN 112 -25.361  -4.804  -2.088
  895   2HB   GLN 112          2HB       GLN 112 -25.636  -6.025  -0.843
  896   1HG   GLN 112          1HG       GLN 112 -27.389  -4.867   0.105
  897   2HG   GLN 112          2HG       GLN 112 -26.741  -3.294  -0.361
  898   1HE2  GLN 112          1HE2      GLN 112 -28.664  -2.538  -1.497
  899   2HE2  GLN 112          2HE2      GLN 112 -29.212  -3.283  -2.920
  900    H    ALA 113           H        ALA 113 -24.099  -5.804   1.919
  901    HA   ALA 113           HA       ALA 113 -21.725  -7.210   0.736
  902   1HB   ALA 113          1HB       ALA 113 -21.483  -5.330   2.579
  903   2HB   ALA 113          3HB       ALA 113 -22.002  -6.616   3.669
  904   3HB   ALA 113          2HB       ALA 113 -20.535  -6.811   2.710
  905    H    LYS 114           H        LYS 114 -22.571  -9.298   0.368
  906    HA   LYS 114           HA       LYS 114 -24.093 -10.552   2.634
  907   1HB   LYS 114          1HB       LYS 114 -25.028 -10.006   0.176
  908   2HB   LYS 114          2HB       LYS 114 -24.263 -11.556  -0.174
  909   1HG   LYS 114          1HG       LYS 114 -25.560 -12.660   1.543
  910   2HG   LYS 114          2HG       LYS 114 -26.208 -11.120   2.108
  911   1HD   LYS 114          1HD       LYS 114 -27.539 -10.834   0.183
  912   2HD   LYS 114          2HD       LYS 114 -26.611 -12.015  -0.743
  913   1HE   LYS 114          1HE       LYS 114 -28.616 -13.167  -0.161
  914   2HE   LYS 114          2HE       LYS 114 -27.433 -13.734   1.036
  915   1HZ   LYS 114          1HZ       LYS 114 -28.150 -11.886   2.486
  916   2HZ   LYS 114          3HZ       LYS 114 -29.378 -11.512   1.376
  917   3HZ   LYS 114          2HZ       LYS 114 -29.393 -13.005   2.187
  918    H    LEU 115           H        LEU 115 -22.339 -11.659   3.678
  919    HA   LEU 115           HA       LEU 115 -20.798 -13.566   1.942
  920   1HB   LEU 115          1HB       LEU 115 -19.617 -11.588   3.053
  921   2HB   LEU 115          2HB       LEU 115 -19.965 -12.368   4.597
  922    HG   LEU 115           HG       LEU 115 -18.894 -14.477   3.423
  923   1HD1  LEU 115          3HD1      LEU 115 -17.742 -12.129   1.886
  924   2HD1  LEU 115          2HD1      LEU 115 -17.030 -13.743   1.908
  925   3HD1  LEU 115          1HD1      LEU 115 -18.632 -13.495   1.215
  926   1HD2  LEU 115          1HD2      LEU 115 -18.072 -12.948   5.387
  927   2HD2  LEU 115          3HD2      LEU 115 -16.911 -14.007   4.585
  928   3HD2  LEU 115          2HD2      LEU 115 -16.967 -12.291   4.179
  929    H    THR 116           H        THR 116 -20.590 -15.745   2.747
  930    HA   THR 116           HA       THR 116 -22.084 -16.356   5.274
  931    HB   THR 116           HB       THR 116 -22.737 -18.474   3.831
  932    HG1  THR 116           HG1      THR 116 -22.783 -18.048   1.665
  933   1HG2  THR 116          3HG2      THR 116 -23.898 -15.697   3.650
  934   2HG2  THR 116          2HG2      THR 116 -24.671 -17.070   2.857
  935   3HG2  THR 116          1HG2      THR 116 -24.467 -17.063   4.609
  936    H    THR 117           H        THR 117 -21.041 -17.921   6.585
  937    HA   THR 117           HA       THR 117 -18.668 -19.320   5.396
  938    HB   THR 117           HB       THR 117 -17.580 -18.861   7.629
  939    HG1  THR 117           HG1      THR 117 -18.579 -17.485   9.009
  940   1HG2  THR 117          3HG2      THR 117 -17.431 -17.395   5.484
  941   2HG2  THR 117          2HG2      THR 117 -18.445 -16.263   6.380
  942   3HG2  THR 117          1HG2      THR 117 -16.860 -16.714   7.008

  No H/Q in entry =         942
  Start of MODEL   24
    1    H1   MET   1           H        MET   1 -14.201 -20.070  -3.583
    2    H2   MET   1           HN2      MET   1 -12.546 -20.074  -3.201
    3    HA   MET   1           HA       MET   1 -12.057 -20.390  -5.619
    4   1HB   MET   1          1HB       MET   1 -14.583 -21.218  -5.714
    5   2HB   MET   1          2HB       MET   1 -14.891 -19.515  -6.057
    6   1HG   MET   1          1HG       MET   1 -13.010 -19.733  -7.820
    7   2HG   MET   1          2HG       MET   1 -13.227 -21.473  -7.637
    8   1HE   MET   1          1HE       MET   1 -13.865 -18.783  -9.784
    9   2HE   MET   1          3HE       MET   1 -15.600 -18.571 -10.057
   10   3HE   MET   1          2HE       MET   1 -14.876 -18.067  -8.532
   11    H    ALA   2           H        ALA   2 -10.851 -18.487  -5.778
   12    HA   ALA   2           HA       ALA   2 -12.292 -15.898  -5.281
   13   1HB   ALA   2          3HB       ALA   2  -9.640 -15.412  -4.758
   14   2HB   ALA   2          1HB       ALA   2  -9.798 -17.090  -4.238
   15   3HB   ALA   2          2HB       ALA   2 -10.828 -15.846  -3.530
   16    H    GLU   3           H        GLU   3 -10.794 -14.020  -6.334
   17    HA   GLU   3           HA       GLU   3  -9.900 -14.979  -9.036
   18   1HB   GLU   3          1HB       GLU   3 -11.837 -12.913  -8.125
   19   2HB   GLU   3          2HB       GLU   3 -10.812 -12.468  -9.491
   20   1HG   GLU   3          1HG       GLU   3 -11.587 -14.290 -10.806
   21   2HG   GLU   3          2HG       GLU   3 -12.303 -15.094  -9.408
   22    H    GLN   4           H        GLN   4  -9.792 -11.987  -6.989
   23    HA   GLN   4           HA       GLN   4  -6.837 -11.892  -7.474
   24   1HB   GLN   4          1HB       GLN   4  -8.971  -9.785  -7.873
   25   2HB   GLN   4          2HB       GLN   4  -7.269  -9.358  -7.694
   26   1HG   GLN   4          1HG       GLN   4  -6.675 -10.302  -9.718
   27   2HG   GLN   4          2HG       GLN   4  -7.970 -11.498  -9.659
   28   1HE2  GLN   4          1HE2      GLN   4  -7.838  -7.854  -9.648
   29   2HE2  GLN   4          2HE2      GLN   4  -9.042  -7.685 -10.833
   30    H    ARG   5           H        ARG   5  -5.636 -11.109  -5.655
   31    HA   ARG   5           HA       ARG   5  -7.269 -10.519  -3.204
   32   1HB   ARG   5          1HB       ARG   5  -4.906 -12.202  -3.828
   33   2HB   ARG   5          2HB       ARG   5  -4.819 -11.313  -2.308
   34   1HG   ARG   5          1HG       ARG   5  -6.557 -12.482  -1.363
   35   2HG   ARG   5          2HG       ARG   5  -7.386 -12.699  -2.905
   36   1HD   ARG   5          1HD       ARG   5  -5.837 -14.451  -3.565
   37   2HD   ARG   5          2HD       ARG   5  -4.832 -14.154  -2.132
   38    HE   ARG   5           HE       ARG   5  -7.670 -15.102  -1.962
   39   1HH1  ARG   5          1HH1      ARG   5  -4.951 -16.720  -1.730
   40   2HH1  ARG   5          2HH1      ARG   5  -4.948 -16.997  -0.021
   41   1HH2  ARG   5          1HH2      ARG   5  -7.446 -14.682   0.626
   42   2HH2  ARG   5          2HH2      ARG   5  -6.361 -15.843   1.314
   43    H    PHE   6           H        PHE   6  -6.462  -8.827  -1.791
   44    HA   PHE   6           HA       PHE   6  -4.213  -7.147  -2.829
   45   1HB   PHE   6          1HB       PHE   6  -7.088  -6.618  -2.919
   46   2HB   PHE   6          2HB       PHE   6  -6.233  -5.370  -2.020
   47    HD1  PHE   6           HD1      PHE   6  -4.126  -4.329  -3.137
   48    HD2  PHE   6           HD2      PHE   6  -7.091  -6.607  -5.254
   49    HE1  PHE   6           HE1      PHE   6  -3.424  -3.275  -5.264
   50    HE2  PHE   6           HE2      PHE   6  -6.377  -5.560  -7.383
   51    HZ   PHE   6           HZ       PHE   6  -4.547  -3.887  -7.389
   52    H    CYS   7           H        CYS   7  -2.984  -6.330  -1.063
   53    HA   CYS   7           HA       CYS   7  -4.318  -5.991   1.587
   54   1HB   CYS   7          1HB       CYS   7  -2.383  -8.149   0.817
   55   2HB   CYS   7          2HB       CYS   7  -2.210  -7.440   2.422
   56    HG   CYS   7           HG       CYS   7  -3.942  -9.368   2.657
   57    H    VAL   8           H        VAL   8  -2.707  -4.916   3.178
   58    HA   VAL   8           HA       VAL   8  -0.846  -3.162   1.630
   59    HB   VAL   8           HB       VAL   8  -1.048  -1.616   3.482
   60   1HG1  VAL   8          1HG1      VAL   8  -3.664  -2.883   2.660
   61   2HG1  VAL   8          3HG1      VAL   8  -3.592  -1.424   3.646
   62   3HG1  VAL   8          2HG1      VAL   8  -2.908  -1.426   2.022
   63   1HG2  VAL   8          1HG2      VAL   8  -1.951  -4.030   4.948
   64   2HG2  VAL   8          3HG2      VAL   8  -1.086  -2.612   5.533
   65   3HG2  VAL   8          2HG2      VAL   8  -2.834  -2.554   5.324
   66    H    ASP   9           H        ASP   9   1.331  -3.691   1.697
   67    HA   ASP   9           HA       ASP   9   2.307  -5.218   4.093
   68   1HB   ASP   9          1HB       ASP   9   2.739  -5.346   1.155
   69   2HB   ASP   9          2HB       ASP   9   4.156  -5.650   2.158
   70    H    TYR  10           H        TYR  10   3.067  -3.466   5.399
   71    HA   TYR  10           HA       TYR  10   4.320  -1.071   4.530
   72   1HB   TYR  10          1HB       TYR  10   4.635  -2.794   6.998
   73   2HB   TYR  10          2HB       TYR  10   5.512  -1.273   6.826
   74    HD1  TYR  10           HD1      TYR  10   3.969   0.749   5.934
   75    HD2  TYR  10           HD2      TYR  10   2.562  -2.709   8.059
   76    HE1  TYR  10           HE1      TYR  10   1.943   1.998   6.630
   77    HE2  TYR  10           HE2      TYR  10   0.536  -1.460   8.750
   78    HH   TYR  10           HH       TYR  10  -0.699   0.898   7.455
   79    H    ALA  11           H        ALA  11   6.615  -0.464   4.386
   80    HA   ALA  11           HA       ALA  11   8.266  -2.665   3.236
   81   1HB   ALA  11          3HB       ALA  11   8.978   0.269   3.415
   82   2HB   ALA  11          1HB       ALA  11   7.839  -0.326   2.206
   83   3HB   ALA  11          2HB       ALA  11   9.503  -0.911   2.213
   84    H    LYS  12           H        LYS  12   9.520  -3.788   4.729
   85    HA   LYS  12           HA       LYS  12  11.211  -2.193   6.590
   86   1HB   LYS  12          1HB       LYS  12   9.153  -4.289   7.317
   87   2HB   LYS  12          2HB       LYS  12  10.461  -3.843   8.412
   88   1HG   LYS  12          1HG       LYS  12   9.628  -1.384   7.880
   89   2HG   LYS  12          2HG       LYS  12   8.121  -2.215   7.493
   90   1HD   LYS  12          1HD       LYS  12   7.993  -3.179   9.693
   91   2HD   LYS  12          2HD       LYS  12   9.623  -2.634  10.088
   92   1HE   LYS  12          1HE       LYS  12   8.459  -0.256   9.406
   93   2HE   LYS  12          2HE       LYS  12   7.081  -1.117  10.122
   94   1HZ   LYS  12          3HZ       LYS  12   8.466  -1.697  12.015
   95   2HZ   LYS  12          2HZ       LYS  12   9.783  -0.865  11.337
   96   3HZ   LYS  12          1HZ       LYS  12   8.400  -0.011  11.833
   97    H    ARG  13           H        ARG  13  11.906  -3.744   4.184
   98    HA   ARG  13           HA       ARG  13  13.799  -5.658   5.443
   99   1HB   ARG  13          1HB       ARG  13  11.385  -6.557   4.602
  100   2HB   ARG  13          2HB       ARG  13  12.289  -6.677   3.092
  101   1HG   ARG  13          1HG       ARG  13  14.046  -7.977   4.264
  102   2HG   ARG  13          2HG       ARG  13  13.099  -7.894   5.749
  103   1HD   ARG  13          1HD       ARG  13  12.290  -9.914   4.973
  104   2HD   ARG  13          2HD       ARG  13  11.210  -8.857   4.042
  105    HE   ARG  13           HE       ARG  13  12.787  -9.041   2.146
  106   1HH1  ARG  13          1HH1      ARG  13  12.715 -11.353   1.244
  107   2HH1  ARG  13          2HH1      ARG  13  13.906 -12.398   1.943
  108   1HH2  ARG  13          1HH2      ARG  13  14.574 -10.288   4.612
  109   2HH2  ARG  13          2HH2      ARG  13  14.960 -11.795   3.849
  110    H    GLY  14           H        GLY  14  14.234  -3.095   4.069
  111   1HA   GLY  14          2HA       GLY  14  15.729  -4.103   1.683
  112   2HA   GLY  14          1HA       GLY  14  16.251  -2.743   2.678
  113    H    THR  15           H        THR  15  16.070  -2.236  -0.021
  114    HA   THR  15           HA       THR  15  13.527  -0.656  -0.245
  115    HB   THR  15           HB       THR  15  16.297  -0.116  -1.361
  116    HG1  THR  15           HG1      THR  15  16.519   1.270   0.311
  117   1HG2  THR  15          3HG2      THR  15  13.701   1.427  -1.380
  118   2HG2  THR  15          2HG2      THR  15  15.260   2.207  -1.647
  119   3HG2  THR  15          1HG2      THR  15  14.697   0.958  -2.758
  120    H    ALA  16           H        ALA  16  12.385  -0.801  -2.252
  121    HA   ALA  16           HA       ALA  16  13.660  -2.312  -4.473
  122   1HB   ALA  16          1HB       ALA  16  10.910  -3.178  -3.836
  123   2HB   ALA  16          3HB       ALA  16  12.329  -4.153  -4.217
  124   3HB   ALA  16          2HB       ALA  16  12.084  -3.558  -2.576
  125    H    GLY  17           H        GLY  17  12.926  -1.627  -6.517
  126   1HA   GLY  17          2HA       GLY  17  11.739  -0.342  -8.080
  127   2HA   GLY  17          1HA       GLY  17  11.521   0.827  -6.776
  128    H    CYS  18           H        CYS  18   9.276   1.288  -7.052
  129    HA   CYS  18           HA       CYS  18   7.484  -0.850  -6.139
  130   1HB   CYS  18          1HB       CYS  18   5.828   0.906  -6.029
  131   2HB   CYS  18          2HB       CYS  18   7.347   1.527  -5.417
  132    H    LYS  19           H        LYS  19   6.382  -2.247  -7.411
  133    HA   LYS  19           HA       LYS  19   6.568  -2.094 -10.327
  134   1HB   LYS  19          1HB       LYS  19   5.269  -3.895  -8.295
  135   2HB   LYS  19          2HB       LYS  19   4.796  -4.041  -9.987
  136   1HG   LYS  19          1HG       LYS  19   6.586  -5.453 -10.106
  137   2HG   LYS  19          2HG       LYS  19   7.507  -3.956 -10.240
  138   1HD   LYS  19          1HD       LYS  19   7.696  -3.945  -7.720
  139   2HD   LYS  19          2HD       LYS  19   6.981  -5.558  -7.723
  140   1HE   LYS  19          1HE       LYS  19   9.292  -5.132  -9.561
  141   2HE   LYS  19          2HE       LYS  19   9.647  -5.197  -7.823
  142   1HZ   LYS  19          2HZ       LYS  19   7.971  -7.170  -9.284
  143   2HZ   LYS  19          1HZ       LYS  19   9.595  -7.420  -8.854
  144   3HZ   LYS  19          3HZ       LYS  19   8.418  -7.240  -7.646
  145    H    LYS  20           H        LYS  20   4.651  -1.862 -11.788
  146    HA   LYS  20           HA       LYS  20   2.644  -0.836 -12.462
  147   1HB   LYS  20          1HB       LYS  20   2.120  -2.123 -10.025
  148   2HB   LYS  20          2HB       LYS  20   1.473  -0.498  -9.802
  149   1HG   LYS  20          1HG       LYS  20   0.889  -1.892 -12.383
  150   2HG   LYS  20          2HG       LYS  20   0.021  -2.424 -10.942
  151   1HD   LYS  20          1HD       LYS  20  -1.260  -0.557 -10.894
  152   2HD   LYS  20          2HD       LYS  20   0.122   0.499 -11.175
  153   1HE   LYS  20          1HE       LYS  20  -0.958   0.843 -13.188
  154   2HE   LYS  20          2HE       LYS  20  -0.096  -0.644 -13.635
  155   1HZ   LYS  20          3HZ       LYS  20  -2.746  -0.646 -12.301
  156   2HZ   LYS  20          2HZ       LYS  20  -2.566  -0.710 -13.989
  157   3HZ   LYS  20          1HZ       LYS  20  -1.947  -1.959 -13.017
  158    H    CYS  21           H        CYS  21   5.062   0.777 -11.082
  159    HA   CYS  21           HA       CYS  21   4.036   3.361 -11.674
  160   1HB   CYS  21          1HB       CYS  21   4.001   4.259  -9.313
  161   2HB   CYS  21          2HB       CYS  21   2.669   3.199  -9.725
  162    H    LYS  22           H        LYS  22   5.707   5.040 -11.472
  163    HA   LYS  22           HA       LYS  22   8.433   3.866 -11.393
  164   1HB   LYS  22          1HB       LYS  22   7.579   5.438 -13.176
  165   2HB   LYS  22          2HB       LYS  22   7.564   6.716 -11.962
  166   1HG   LYS  22          1HG       LYS  22   9.679   7.045 -12.835
  167   2HG   LYS  22          2HG       LYS  22  10.062   5.877 -11.569
  168   1HD   LYS  22          1HD       LYS  22  10.151   4.070 -13.107
  169   2HD   LYS  22          2HD       LYS  22   9.345   5.004 -14.369
  170   1HE   LYS  22          1HE       LYS  22  11.968   5.986 -13.264
  171   2HE   LYS  22          2HE       LYS  22  11.952   4.707 -14.495
  172   1HZ   LYS  22          1HZ       LYS  22  10.492   7.287 -14.709
  173   2HZ   LYS  22          3HZ       LYS  22  11.962   6.947 -15.483
  174   3HZ   LYS  22          2HZ       LYS  22  10.566   6.071 -15.892
  175    H    GLU  23           H        GLU  23   8.810   3.514  -9.112
  176    HA   GLU  23           HA       GLU  23   9.860   5.824  -7.698
  177   1HB   GLU  23          1HB       GLU  23   7.173   5.651  -7.537
  178   2HB   GLU  23          2HB       GLU  23   7.607   4.614  -6.188
  179   1HG   GLU  23          1HG       GLU  23   8.375   6.318  -4.929
  180   2HG   GLU  23          2HG       GLU  23   9.155   7.109  -6.301
  181    H    LYS  24           H        LYS  24  10.144   4.956  -5.137
  182    HA   LYS  24           HA       LYS  24  11.137   2.114  -5.317
  183   1HB   LYS  24          1HB       LYS  24  12.416   4.575  -4.070
  184   2HB   LYS  24          2HB       LYS  24  13.071   2.941  -3.977
  185   1HG   LYS  24          1HG       LYS  24  13.468   2.851  -6.320
  186   2HG   LYS  24          2HG       LYS  24  12.463   4.268  -6.621
  187   1HD   LYS  24          1HD       LYS  24  14.135   5.550  -5.138
  188   2HD   LYS  24          2HD       LYS  24  15.194   4.153  -5.340
  189   1HE   LYS  24          1HE       LYS  24  15.879   5.419  -7.167
  190   2HE   LYS  24          2HE       LYS  24  14.537   4.537  -7.924
  191   1HZ   LYS  24          1HZ       LYS  24  14.294   7.162  -6.550
  192   2HZ   LYS  24          3HZ       LYS  24  14.333   6.951  -8.232
  193   3HZ   LYS  24          2HZ       LYS  24  13.041   6.318  -7.329
  194    H    ILE  25           H        ILE  25  11.028   0.948  -3.273
  195    HA   ILE  25           HA       ILE  25   9.133   2.194  -1.307
  196    HB   ILE  25           HB       ILE  25   9.850  -0.705  -1.879
  197   1HG1  ILE  25          1HG1      ILE  25   7.237   0.689  -2.479
  198   2HG1  ILE  25          2HG1      ILE  25   8.554   0.665  -3.650
  199   1HG2  ILE  25          3HG2      ILE  25   8.897   0.189   0.468
  200   2HG2  ILE  25          2HG2      ILE  25   7.378   0.105  -0.421
  201   3HG2  ILE  25          1HG2      ILE  25   8.370  -1.340  -0.231
  202   1HD1  ILE  25          2HD1      ILE  25   7.701  -1.912  -2.376
  203   2HD1  ILE  25          1HD1      ILE  25   6.727  -1.238  -3.683
  204   3HD1  ILE  25          3HD1      ILE  25   8.422  -1.635  -3.961
  205    H    VAL  26           H        VAL  26  10.584   3.243   0.154
  206    HA   VAL  26           HA       VAL  26  12.798   1.572   1.300
  207    HB   VAL  26           HB       VAL  26  12.225   4.558   1.394
  208   1HG1  VAL  26          3HG1      VAL  26  14.652   2.959   2.269
  209   2HG1  VAL  26          2HG1      VAL  26  14.549   4.718   2.246
  210   3HG1  VAL  26          1HG1      VAL  26  13.523   3.790   3.339
  211   1HG2  VAL  26          2HG2      VAL  26  12.996   3.208  -0.802
  212   2HG2  VAL  26          1HG2      VAL  26  13.614   4.816  -0.427
  213   3HG2  VAL  26          3HG2      VAL  26  14.571   3.390  -0.032
  214    H    LYS  27           H        LYS  27  13.089   1.668   3.685
  215    HA   LYS  27           HA       LYS  27  10.850   0.949   5.220
  216   1HB   LYS  27          1HB       LYS  27  13.503   2.212   5.885
  217   2HB   LYS  27          2HB       LYS  27  12.336   1.905   7.171
  218   1HG   LYS  27          1HG       LYS  27  12.208  -0.474   6.451
  219   2HG   LYS  27          2HG       LYS  27  13.450  -0.151   5.241
  220   1HD   LYS  27          1HD       LYS  27  15.045   0.465   6.978
  221   2HD   LYS  27          2HD       LYS  27  13.806   0.284   8.220
  222   1HE   LYS  27          1HE       LYS  27  14.965  -1.778   8.319
  223   2HE   LYS  27          2HE       LYS  27  13.582  -2.158   7.272
  224   1HZ   LYS  27          3HZ       LYS  27  14.980  -1.503   5.356
  225   2HZ   LYS  27          2HZ       LYS  27  16.309  -1.358   6.406
  226   3HZ   LYS  27          1HZ       LYS  27  15.569  -2.869   6.169
  227    H    GLY  28           H        GLY  28   9.137   2.056   6.206
  228   1HA   GLY  28          2HA       GLY  28   9.370   5.014   6.468
  229   2HA   GLY  28          1HA       GLY  28   8.251   4.004   7.375
  230    H    VAL  29           H        VAL  29   7.931   2.747   4.319
  231    HA   VAL  29           HA       VAL  29   5.797   4.727   3.627
  232    HB   VAL  29           HB       VAL  29   7.846   4.790   2.175
  233   1HG1  VAL  29          3HG1      VAL  29   7.712   2.004   2.338
  234   2HG1  VAL  29          2HG1      VAL  29   7.195   2.356   0.692
  235   3HG1  VAL  29          1HG1      VAL  29   8.756   2.933   1.269
  236   1HG2  VAL  29          3HG2      VAL  29   5.444   5.293   1.417
  237   2HG2  VAL  29          2HG2      VAL  29   6.622   4.961   0.147
  238   3HG2  VAL  29          1HG2      VAL  29   5.479   3.711   0.639
  239    H    CYS  30           H        CYS  30   3.752   3.831   3.192
  240    HA   CYS  30           HA       CYS  30   3.476   0.896   3.641
  241   1HB   CYS  30          1HB       CYS  30   2.065   2.691   4.774
  242   2HB   CYS  30          2HB       CYS  30   1.324   2.992   3.203
  243    HG   CYS  30           HG       CYS  30   0.172   0.737   3.282
  244    H    ARG  31           H        ARG  31   2.912  -0.556   1.986
  245    HA   ARG  31           HA       ARG  31   2.103   0.609  -0.656
  246   1HB   ARG  31          1HB       ARG  31   3.691  -1.020  -1.696
  247   2HB   ARG  31          2HB       ARG  31   4.514   0.153  -0.668
  248   1HG   ARG  31          1HG       ARG  31   4.957  -1.415   0.997
  249   2HG   ARG  31          2HG       ARG  31   3.613  -2.452   0.521
  250   1HD   ARG  31          1HD       ARG  31   4.841  -3.023  -1.584
  251   2HD   ARG  31          2HD       ARG  31   6.222  -2.079  -0.989
  252    HE   ARG  31           HE       ARG  31   5.097  -4.421   0.506
  253   1HH1  ARG  31          1HH1      ARG  31   6.672  -4.284   2.411
  254   2HH1  ARG  31          2HH1      ARG  31   8.336  -4.344   1.935
  255   1HH2  ARG  31          1HH2      ARG  31   7.678  -3.678  -1.404
  256   2HH2  ARG  31          2HH2      ARG  31   8.905  -4.000  -0.226
  257    H    ILE  32           H        ILE  32   0.693  -0.790  -1.897
  258    HA   ILE  32           HA       ILE  32  -0.416  -3.081  -0.310
  259    HB   ILE  32           HB       ILE  32  -1.758  -1.662  -2.628
  260   1HG1  ILE  32          1HG1      ILE  32  -2.033  -0.932   0.312
  261   2HG1  ILE  32          2HG1      ILE  32  -1.122   0.023  -0.856
  262   1HG2  ILE  32          3HG2      ILE  32  -2.530  -3.906  -1.610
  263   2HG2  ILE  32          2HG2      ILE  32  -3.020  -2.948  -0.213
  264   3HG2  ILE  32          1HG2      ILE  32  -3.736  -2.632  -1.793
  265   1HD1  ILE  32          2HD1      ILE  32  -3.922  -0.696  -1.582
  266   2HD1  ILE  32          1HD1      ILE  32  -3.701   0.524  -0.326
  267   3HD1  ILE  32          3HD1      ILE  32  -3.011   0.775  -1.930
  268    H    GLY  33           H        GLY  33  -0.046  -5.132  -1.158
  269   1HA   GLY  33          2HA       GLY  33   1.230  -6.483  -2.760
  270   2HA   GLY  33          1HA       GLY  33   0.859  -5.281  -3.998
  271    H    LYS  34           H        LYS  34  -0.244  -6.748  -5.442
  272    HA   LYS  34           HA       LYS  34  -2.855  -7.738  -4.356
  273   1HB   LYS  34          1HB       LYS  34  -3.023  -6.011  -6.072
  274   2HB   LYS  34          2HB       LYS  34  -1.973  -6.926  -7.149
  275   1HG   LYS  34          1HG       LYS  34  -3.723  -8.804  -6.975
  276   2HG   LYS  34          2HG       LYS  34  -4.784  -7.593  -6.260
  277   1HD   LYS  34          1HD       LYS  34  -5.208  -7.678  -8.652
  278   2HD   LYS  34          2HD       LYS  34  -4.407  -6.151  -8.276
  279   1HE   LYS  34          1HE       LYS  34  -2.359  -6.849  -9.209
  280   2HE   LYS  34          2HE       LYS  34  -2.787  -8.568  -9.091
  281   1HZ   LYS  34          3HZ       LYS  34  -4.567  -8.201 -10.685
  282   2HZ   LYS  34          2HZ       LYS  34  -4.146  -6.560 -10.811
  283   3HZ   LYS  34          1HZ       LYS  34  -3.074  -7.758 -11.358
  284    H    VAL  35           H        VAL  35  -2.996 -10.019  -4.253
  285    HA   VAL  35           HA       VAL  35  -0.924 -11.584  -5.746
  286    HB   VAL  35           HB       VAL  35  -2.850 -12.357  -3.520
  287   1HG1  VAL  35          3HG1      VAL  35  -0.500 -13.799  -4.784
  288   2HG1  VAL  35          2HG1      VAL  35  -1.273 -14.304  -3.281
  289   3HG1  VAL  35          1HG1      VAL  35  -2.187 -14.315  -4.789
  290   1HG2  VAL  35          3HG2      VAL  35  -1.023 -10.621  -3.023
  291   2HG2  VAL  35          2HG2      VAL  35  -1.025 -12.065  -2.011
  292   3HG2  VAL  35          1HG2      VAL  35   0.137 -11.913  -3.329
  293    H    VAL  36           H        VAL  36  -1.663 -12.170  -7.806
  294    HA   VAL  36           HA       VAL  36  -4.468 -13.224  -7.994
  295    HB   VAL  36           HB       VAL  36  -2.756 -11.777 -10.046
  296   1HG1  VAL  36          2HG1      VAL  36  -5.578 -12.874 -10.136
  297   2HG1  VAL  36          1HG1      VAL  36  -4.966 -11.694 -11.296
  298   3HG1  VAL  36          3HG1      VAL  36  -4.229 -13.294 -11.191
  299   1HG2  VAL  36          2HG2      VAL  36  -5.159 -10.903  -8.414
  300   2HG2  VAL  36          1HG2      VAL  36  -3.523 -10.255  -8.308
  301   3HG2  VAL  36          3HG2      VAL  36  -4.487  -9.983  -9.760
  302    HA   PRO  37           HA       PRO  37  -2.265 -16.915  -9.227
  303   1HB   PRO  37          1HB       PRO  37  -4.401 -18.404 -10.063
  304   2HB   PRO  37          2HB       PRO  37  -4.023 -18.142  -8.349
  305   1HG   PRO  37          1HG       PRO  37  -6.071 -16.832 -10.056
  306   2HG   PRO  37          2HG       PRO  37  -6.154 -17.305  -8.353
  307   1HD   PRO  37          1HD       PRO  37  -5.731 -14.738  -9.215
  308   2HD   PRO  37          2HD       PRO  37  -5.204 -15.359  -7.635
  309    H    ASN  38           H        ASN  38  -1.180 -17.191 -11.197
  310    HA   ASN  38           HA       ASN  38  -2.540 -16.191 -13.671
  311   1HB   ASN  38          1HB       ASN  38  -0.158 -15.526 -12.655
  312   2HB   ASN  38          2HB       ASN  38   0.350 -16.955 -13.556
  313   1HD2  ASN  38          2HD2      ASN  38   1.218 -16.220 -15.542
  314   2HD2  ASN  38          1HD2      ASN  38   0.485 -15.044 -16.522
  315    HA   PRO  39           HA       PRO  39  -2.814 -20.611 -14.581
  316   1HB   PRO  39          1HB       PRO  39  -4.350 -20.386 -16.832
  317   2HB   PRO  39          2HB       PRO  39  -5.023 -20.289 -15.194
  318   1HG   PRO  39          1HG       PRO  39  -4.409 -18.113 -17.119
  319   2HG   PRO  39          2HG       PRO  39  -5.741 -18.258 -15.962
  320   1HD   PRO  39          1HD       PRO  39  -3.511 -16.704 -15.570
  321   2HD   PRO  39          2HD       PRO  39  -4.528 -17.348 -14.263
  322    H    PHE  40           H        PHE  40  -0.403 -20.418 -15.145
  323    HA   PHE  40           HA       PHE  40  -0.042 -20.677 -18.094
  324   1HB   PHE  40          1HB       PHE  40   0.369 -18.319 -17.438
  325   2HB   PHE  40          2HB       PHE  40   1.566 -18.861 -16.264
  326    HD1  PHE  40           HD1      PHE  40   3.606 -20.128 -17.082
  327    HD2  PHE  40           HD2      PHE  40   0.925 -18.077 -19.738
  328    HE1  PHE  40           HE1      PHE  40   5.337 -20.164 -18.856
  329    HE2  PHE  40           HE2      PHE  40   2.657 -18.113 -21.514
  330    HZ   PHE  40           HZ       PHE  40   4.863 -19.156 -21.073
  331    H    SER  41           H        SER  41   1.926 -20.614 -15.042
  332    HA   SER  41           HA       SER  41   3.262 -23.124 -16.002
  333   1HB   SER  41          1HB       SER  41   4.083 -20.664 -14.564
  334   2HB   SER  41          2HB       SER  41   4.813 -22.156 -13.981
  335    HG   SER  41           HG       SER  41   6.100 -21.495 -15.621
  336    H    GLU  42           H        GLU  42   3.689 -24.808 -14.341
  337    HA   GLU  42           HA       GLU  42   1.524 -24.887 -12.285
  338   1HB   GLU  42          1HB       GLU  42   3.383 -26.910 -13.550
  339   2HB   GLU  42          2HB       GLU  42   2.393 -27.318 -12.148
  340   1HG   GLU  42          1HG       GLU  42   1.099 -26.008 -14.519
  341   2HG   GLU  42          2HG       GLU  42   1.458 -27.733 -14.579
  342    H    SER  43           H        SER  43   5.108 -25.119 -12.522
  343    HA   SER  43           HA       SER  43   5.671 -25.718  -9.789
  344   1HB   SER  43          1HB       SER  43   7.351 -23.781 -11.371
  345   2HB   SER  43          2HB       SER  43   7.875 -25.090 -10.315
  346    HG   SER  43           HG       SER  43   8.005 -25.427 -12.684
  347    H    GLY  44           H        GLY  44   5.045 -22.533 -11.342
  348   1HA   GLY  44          2HA       GLY  44   4.836 -20.402 -10.348
  349   2HA   GLY  44          1HA       GLY  44   5.504 -21.070  -8.858
  350    H    GLY  45           H        GLY  45   3.462 -19.439  -8.317
  351   1HA   GLY  45          2HA       GLY  45   1.610 -20.481  -6.761
  352   2HA   GLY  45          1HA       GLY  45   0.957 -21.049  -8.297
  353    H    ASP  46           H        ASP  46   1.601 -18.163  -6.323
  354    HA   ASP  46           HA       ASP  46  -0.255 -16.635  -8.126
  355   1HB   ASP  46          1HB       ASP  46   0.244 -16.520  -5.133
  356   2HB   ASP  46          2HB       ASP  46  -0.861 -15.457  -6.004
  357    H    MET  47           H        MET  47   0.290 -14.392  -8.533
  358    HA   MET  47           HA       MET  47   3.149 -13.710  -7.916
  359   1HB   MET  47          1HB       MET  47   1.329 -13.439 -10.248
  360   2HB   MET  47          2HB       MET  47   2.410 -12.075  -9.963
  361   1HG   MET  47          1HG       MET  47   4.352 -13.541 -10.002
  362   2HG   MET  47          2HG       MET  47   3.317 -14.964 -10.129
  363   1HE   MET  47          1HE       MET  47   2.824 -16.036 -11.780
  364   2HE   MET  47          3HE       MET  47   2.744 -15.641 -13.503
  365   3HE   MET  47          2HE       MET  47   4.304 -15.899 -12.726
  366    H    LYS  48           H        LYS  48   3.607 -11.582  -7.097
  367    HA   LYS  48           HA       LYS  48   1.276  -9.794  -6.566
  368   1HB   LYS  48          1HB       LYS  48   2.006  -9.638  -4.191
  369   2HB   LYS  48          2HB       LYS  48   1.533 -11.279  -4.624
  370   1HG   LYS  48          1HG       LYS  48   3.912 -11.868  -4.975
  371   2HG   LYS  48          2HG       LYS  48   4.378 -10.231  -4.517
  372   1HD   LYS  48          1HD       LYS  48   4.579 -11.195  -2.447
  373   2HD   LYS  48          2HD       LYS  48   2.849 -10.859  -2.386
  374   1HE   LYS  48          1HE       LYS  48   2.280 -13.077  -2.588
  375   2HE   LYS  48          2HE       LYS  48   3.636 -13.426  -3.679
  376   1HZ   LYS  48          2HZ       LYS  48   3.942 -12.783  -0.794
  377   2HZ   LYS  48          1HZ       LYS  48   3.924 -14.365  -1.412
  378   3HZ   LYS  48          3HZ       LYS  48   5.161 -13.294  -1.863
  379    H    GLU  49           H        GLU  49   1.847  -7.622  -6.851
  380    HA   GLU  49           HA       GLU  49   4.773  -7.025  -7.181
  381   1HB   GLU  49          1HB       GLU  49   2.219  -6.082  -8.461
  382   2HB   GLU  49          2HB       GLU  49   3.623  -5.016  -8.461
  383   1HG   GLU  49          1HG       GLU  49   4.829  -6.373  -9.874
  384   2HG   GLU  49          2HG       GLU  49   4.074  -7.849  -9.270
  385    H    TRP  50           H        TRP  50   5.462  -4.829  -6.351
  386    HA   TRP  50           HA       TRP  50   3.790  -4.022  -3.998
  387   1HB   TRP  50          1HB       TRP  50   6.744  -3.807  -4.622
  388   2HB   TRP  50          2HB       TRP  50   6.000  -3.079  -3.203
  389    HD1  TRP  50           HD1      TRP  50   8.055  -5.769  -3.761
  390    HE1  TRP  50           HE1      TRP  50   7.555  -7.819  -2.293
  391    HE3  TRP  50           HE3      TRP  50   3.291  -4.642  -2.236
  392    HZ2  TRP  50           HZ2      TRP  50   5.420  -8.857  -0.689
  393    HZ3  TRP  50           HZ3      TRP  50   2.057  -6.178  -0.740
  394    HH2  TRP  50           HH2      TRP  50   3.116  -8.284   0.036
  395    H    TYR  51           H        TYR  51   2.610  -2.144  -4.451
  396    HA   TYR  51           HA       TYR  51   4.124   0.028  -5.839
  397   1HB   TYR  51          1HB       TYR  51   1.601   0.731  -6.456
  398   2HB   TYR  51          2HB       TYR  51   2.577  -0.269  -7.501
  399    HD1  TYR  51           HD1      TYR  51  -0.252  -0.151  -5.205
  400    HD2  TYR  51           HD2      TYR  51   2.185  -2.682  -7.670
  401    HE1  TYR  51           HE1      TYR  51  -1.982  -1.934  -5.097
  402    HE2  TYR  51           HE2      TYR  51   0.465  -4.463  -7.557
  403    HH   TYR  51           HH       TYR  51  -2.269  -4.310  -7.125
  404    H    HIS  52           H        HIS  52   3.060   2.241  -5.317
  405    HA   HIS  52           HA       HIS  52   2.720   2.368  -2.369
  406   1HB   HIS  52          1HB       HIS  52   2.935   4.433  -4.575
  407   2HB   HIS  52          2HB       HIS  52   2.869   4.828  -2.857
  408    HD2  HIS  52           HD2      HIS  52   5.161   3.842  -1.339
  409    HE1  HIS  52           HE1      HIS  52   7.612   3.383  -4.753
  410    HE2  HIS  52           HE2      HIS  52   7.552   3.457  -2.244
  411    H    ILE  53           H        ILE  53   0.899   3.682  -1.425
  412    HA   ILE  53           HA       ILE  53  -1.675   2.954  -2.558
  413    HB   ILE  53           HB       ILE  53  -0.894   5.019  -0.457
  414   1HG1  ILE  53          1HG1      ILE  53  -1.820   2.128  -0.302
  415   2HG1  ILE  53          2HG1      ILE  53  -0.244   2.758   0.175
  416   1HG2  ILE  53          3HG2      ILE  53  -3.158   5.388  -1.511
  417   2HG2  ILE  53          2HG2      ILE  53  -3.610   3.771  -0.976
  418   3HG2  ILE  53          1HG2      ILE  53  -3.229   5.015   0.212
  419   1HD1  ILE  53          3HD1      ILE  53  -1.501   4.236   1.845
  420   2HD1  ILE  53          2HD1      ILE  53  -2.921   3.247   1.496
  421   3HD1  ILE  53          1HD1      ILE  53  -1.482   2.508   2.204
  422    H    LYS  54           H        LYS  54   0.154   6.067  -2.444
  423    HA   LYS  54           HA       LYS  54  -1.757   7.586  -3.976
  424   1HB   LYS  54          1HB       LYS  54   0.346   8.346  -2.637
  425   2HB   LYS  54          2HB       LYS  54   1.239   7.980  -4.113
  426   1HG   LYS  54          1HG       LYS  54  -0.616   9.445  -5.264
  427   2HG   LYS  54          2HG       LYS  54  -0.847  10.089  -3.638
  428   1HD   LYS  54          1HD       LYS  54   1.779  10.313  -3.675
  429   2HD   LYS  54          2HD       LYS  54   1.558  10.274  -5.424
  430   1HE   LYS  54          1HE       LYS  54   0.324  12.273  -5.445
  431   2HE   LYS  54          2HE       LYS  54  -0.122  12.124  -3.733
  432   1HZ   LYS  54          2HZ       LYS  54   2.199  12.397  -3.131
  433   2HZ   LYS  54          1HZ       LYS  54   2.634  12.546  -4.767
  434   3HZ   LYS  54          3HZ       LYS  54   1.670  13.734  -4.036
  435    H    CYS  55           H        CYS  55   1.026   5.563  -4.977
  436    HA   CYS  55           HA       CYS  55   0.840   6.131  -7.803
  437   1HB   CYS  55          1HB       CYS  55   1.884   3.816  -6.158
  438   2HB   CYS  55          2HB       CYS  55   1.940   3.764  -7.912
  439    H    MET  56           H        MET  56  -0.630   3.575  -5.763
  440    HA   MET  56           HA       MET  56  -2.059   2.334  -7.990
  441   1HB   MET  56          1HB       MET  56  -1.381   1.451  -5.580
  442   2HB   MET  56          2HB       MET  56  -2.957   2.105  -5.134
  443   1HG   MET  56          1HG       MET  56  -2.612   0.265  -7.504
  444   2HG   MET  56          2HG       MET  56  -2.898  -0.356  -5.879
  445   1HE   MET  56          2HE       MET  56  -4.483  -1.516  -7.224
  446   2HE   MET  56          1HE       MET  56  -6.189  -1.139  -6.996
  447   3HE   MET  56          3HE       MET  56  -5.376  -0.699  -8.505
  448    H    PHE  57           H        PHE  57  -3.032   4.576  -5.354
  449    HA   PHE  57           HA       PHE  57  -5.780   4.791  -6.236
  450   1HB   PHE  57          1HB       PHE  57  -3.950   6.291  -4.406
  451   2HB   PHE  57          2HB       PHE  57  -5.415   7.116  -4.934
  452    HD1  PHE  57           HD1      PHE  57  -7.647   6.221  -4.375
  453    HD2  PHE  57           HD2      PHE  57  -4.067   4.308  -2.974
  454    HE1  PHE  57           HE1      PHE  57  -8.978   4.917  -2.741
  455    HE2  PHE  57           HE2      PHE  57  -5.394   3.011  -1.335
  456    HZ   PHE  57           HZ       PHE  57  -7.852   3.311  -1.223
  457    H    GLU  58           H        GLU  58  -2.775   6.410  -7.289
  458    HA   GLU  58           HA       GLU  58  -4.051   8.589  -8.702
  459   1HB   GLU  58          1HB       GLU  58  -1.601   8.416  -8.162
  460   2HB   GLU  58          2HB       GLU  58  -1.465   7.131  -9.362
  461   1HG   GLU  58          1HG       GLU  58  -0.826   9.074 -10.544
  462   2HG   GLU  58          2HG       GLU  58  -2.509   8.830 -11.012
  463    H    LYS  59           H        LYS  59  -3.157   5.259  -9.693
  464    HA   LYS  59           HA       LYS  59  -4.158   5.602 -12.426
  465   1HB   LYS  59          1HB       LYS  59  -2.545   3.793 -11.204
  466   2HB   LYS  59          2HB       LYS  59  -4.064   2.900 -11.162
  467   1HG   LYS  59          1HG       LYS  59  -3.341   2.252 -13.250
  468   2HG   LYS  59          2HG       LYS  59  -4.171   3.739 -13.705
  469   1HD   LYS  59          1HD       LYS  59  -2.136   4.973 -13.791
  470   2HD   LYS  59          2HD       LYS  59  -1.246   3.704 -12.949
  471   1HE   LYS  59          1HE       LYS  59  -1.165   2.320 -14.839
  472   2HE   LYS  59          2HE       LYS  59  -2.576   3.098 -15.586
  473   1HZ   LYS  59          2HZ       LYS  59  -1.235   5.179 -15.661
  474   2HZ   LYS  59          1HZ       LYS  59   0.123   4.272 -15.191
  475   3HZ   LYS  59          3HZ       LYS  59  -0.644   3.944 -16.667
  476    H    LEU  60           H        LEU  60  -5.482   4.243  -9.386
  477    HA   LEU  60           HA       LEU  60  -8.007   3.362 -10.480
  478   1HB   LEU  60          1HB       LEU  60  -6.782   3.205  -8.041
  479   2HB   LEU  60          2HB       LEU  60  -7.958   4.479  -7.716
  480    HG   LEU  60           HG       LEU  60  -9.547   2.730  -9.027
  481   1HD1  LEU  60          3HD1      LEU  60  -7.526   1.160  -9.173
  482   2HD1  LEU  60          2HD1      LEU  60  -7.693   0.948  -7.431
  483   3HD1  LEU  60          1HD1      LEU  60  -9.003   0.464  -8.508
  484   1HD2  LEU  60          2HD2      LEU  60  -9.415   3.746  -6.521
  485   2HD2  LEU  60          1HD2      LEU  60 -10.575   2.501  -6.985
  486   3HD2  LEU  60          3HD2      LEU  60  -9.078   2.051  -6.167
  487    H    GLU  61           H        GLU  61  -6.929   6.529  -9.149
  488    HA   GLU  61           HA       GLU  61  -9.456   7.874  -9.231
  489   1HB   GLU  61          1HB       GLU  61  -7.339   8.770  -8.242
  490   2HB   GLU  61          2HB       GLU  61  -6.701   8.987  -9.872
  491   1HG   GLU  61          1HG       GLU  61  -9.073  10.277 -10.125
  492   2HG   GLU  61          2HG       GLU  61  -8.748  10.568  -8.417
  493    H    ARG  62           H        ARG  62  -7.162   7.089 -11.849
  494    HA   ARG  62           HA       ARG  62  -8.900   8.536 -13.807
  495   1HB   ARG  62          1HB       ARG  62  -6.065   7.542 -13.701
  496   2HB   ARG  62          2HB       ARG  62  -6.828   7.775 -15.275
  497   1HG   ARG  62          1HG       ARG  62  -7.105   9.968 -13.266
  498   2HG   ARG  62          2HG       ARG  62  -5.537   9.767 -14.049
  499   1HD   ARG  62          1HD       ARG  62  -8.104   9.874 -15.653
  500   2HD   ARG  62          2HD       ARG  62  -7.189  11.339 -15.239
  501    HE   ARG  62           HE       ARG  62  -6.110   9.066 -16.856
  502   1HH1  ARG  62          1HH1      ARG  62  -5.803  10.689 -18.795
  503   2HH1  ARG  62          2HH1      ARG  62  -4.591  11.876 -18.447
  504   1HH2  ARG  62          1HH2      ARG  62  -4.617  11.286 -15.030
  505   2HH2  ARG  62          2HH2      ARG  62  -3.919  12.215 -16.315
  506    H    ALA  63           H        ALA  63  -9.623   5.817 -12.528
  507    HA   ALA  63           HA       ALA  63  -9.542   4.128 -15.005
  508   1HB   ALA  63          2HB       ALA  63 -10.175   2.353 -13.195
  509   2HB   ALA  63          3HB       ALA  63  -9.674   3.590 -12.041
  510   3HB   ALA  63          1HB       ALA  63  -8.522   2.967 -13.223
  511    H    ARG  64           H        ARG  64 -11.596   2.744 -15.299
  512    HA   ARG  64           HA       ARG  64 -13.942   4.445 -15.364
  513   1HB   ARG  64          1HB       ARG  64 -13.330   1.549 -15.891
  514   2HB   ARG  64          2HB       ARG  64 -15.017   2.059 -15.814
  515   1HG   ARG  64          1HG       ARG  64 -14.218   3.979 -17.422
  516   2HG   ARG  64          2HG       ARG  64 -12.881   2.879 -17.761
  517   1HD   ARG  64          1HD       ARG  64 -14.214   1.427 -18.923
  518   2HD   ARG  64          2HD       ARG  64 -15.571   1.627 -17.796
  519    HE   ARG  64           HE       ARG  64 -16.297   3.524 -19.052
  520   1HH1  ARG  64          1HH1      ARG  64 -13.294   4.411 -19.345
  521   2HH1  ARG  64          2HH1      ARG  64 -13.187   4.482 -21.072
  522   1HH2  ARG  64          1HH2      ARG  64 -16.136   2.735 -21.594
  523   2HH2  ARG  64          2HH2      ARG  64 -14.795   3.534 -22.344
  524    H    ALA  65           H        ALA  65 -16.000   4.088 -14.169
  525    HA   ALA  65           HA       ALA  65 -15.513   3.549 -11.313
  526   1HB   ALA  65          2HB       ALA  65 -17.064   5.313 -12.457
  527   2HB   ALA  65          3HB       ALA  65 -17.649   4.504 -11.003
  528   3HB   ALA  65          1HB       ALA  65 -18.214   3.982 -12.590
  529    H    THR  66           H        THR  66 -17.182   1.858 -14.002
  530    HA   THR  66           HA       THR  66 -18.655  -0.086 -12.580
  531    HB   THR  66           HB       THR  66 -16.976  -0.594 -15.058
  532    HG1  THR  66           HG1      THR  66 -19.572   0.573 -14.831
  533   1HG2  THR  66          1HG2      THR  66 -19.327  -1.925 -13.766
  534   2HG2  THR  66          3HG2      THR  66 -19.197  -1.954 -15.525
  535   3HG2  THR  66          2HG2      THR  66 -17.914  -2.648 -14.534
  536    H    THR  67           H        THR  67 -15.112  -0.022 -13.148
  537    HA   THR  67           HA       THR  67 -14.885  -2.562 -11.567
  538    HB   THR  67           HB       THR  67 -12.684  -1.263 -13.165
  539    HG1  THR  67           HG1      THR  67 -13.506  -2.068 -15.003
  540   1HG2  THR  67          2HG2      THR  67 -13.360  -3.952 -12.072
  541   2HG2  THR  67          1HG2      THR  67 -12.483  -3.900 -13.602
  542   3HG2  THR  67          3HG2      THR  67 -11.799  -3.137 -12.166
  543    H    LYS  68           H        LYS  68 -14.759  -1.836  -9.388
  544    HA   LYS  68           HA       LYS  68 -12.703   0.275  -8.802
  545   1HB   LYS  68          1HB       LYS  68 -15.253   0.555  -8.324
  546   2HB   LYS  68          2HB       LYS  68 -14.968  -0.574  -6.997
  547   1HG   LYS  68          1HG       LYS  68 -13.523   0.899  -5.882
  548   2HG   LYS  68          2HG       LYS  68 -13.194   1.832  -7.343
  549   1HD   LYS  68          1HD       LYS  68 -14.673   3.262  -6.277
  550   2HD   LYS  68          2HD       LYS  68 -15.805   2.299  -7.227
  551   1HE   LYS  68          1HE       LYS  68 -16.209   0.827  -5.286
  552   2HE   LYS  68          2HE       LYS  68 -15.062   1.782  -4.324
  553   1HZ   LYS  68          1HZ       LYS  68 -16.387   3.759  -4.785
  554   2HZ   LYS  68          3HZ       LYS  68 -17.501   2.830  -5.664
  555   3HZ   LYS  68          2HZ       LYS  68 -17.320   2.581  -3.993
  556    H    LYS  69           H        LYS  69 -11.134  -0.218  -7.159
  557    HA   LYS  69           HA       LYS  69 -11.253  -3.014  -6.067
  558   1HB   LYS  69          1HB       LYS  69  -8.957  -1.372  -7.173
  559   2HB   LYS  69          2HB       LYS  69  -8.732  -2.896  -6.311
  560   1HG   LYS  69          1HG       LYS  69 -10.143  -4.052  -7.967
  561   2HG   LYS  69          2HG       LYS  69 -10.384  -2.531  -8.828
  562   1HD   LYS  69          1HD       LYS  69  -7.700  -2.530  -8.751
  563   2HD   LYS  69          2HD       LYS  69  -7.970  -4.273  -8.696
  564   1HE   LYS  69          1HE       LYS  69  -7.965  -3.949 -11.002
  565   2HE   LYS  69          2HE       LYS  69  -9.688  -3.675 -10.676
  566   1HZ   LYS  69          1HZ       LYS  69  -9.142  -1.306 -10.304
  567   2HZ   LYS  69          3HZ       LYS  69  -7.554  -1.613 -10.815
  568   3HZ   LYS  69          2HZ       LYS  69  -8.846  -1.810 -11.900
  569    H    ILE  70           H        ILE  70 -10.456  -3.269  -3.883
  570    HA   ILE  70           HA       ILE  70 -10.097  -2.590  -1.665
  571    HB   ILE  70           HB       ILE  70  -8.562  -0.488  -3.229
  572   1HG1  ILE  70          1HG1      ILE  70  -7.694  -3.072  -1.888
  573   2HG1  ILE  70          2HG1      ILE  70  -7.941  -2.869  -3.621
  574   1HG2  ILE  70          3HG2      ILE  70  -8.948  -0.891  -0.327
  575   2HG2  ILE  70          2HG2      ILE  70  -7.258  -0.798  -0.822
  576   3HG2  ILE  70          1HG2      ILE  70  -8.360   0.526  -1.197
  577   1HD1  ILE  70          1HD1      ILE  70  -6.068  -1.045  -2.122
  578   2HD1  ILE  70          3HD1      ILE  70  -5.527  -2.630  -2.679
  579   3HD1  ILE  70          2HD1      ILE  70  -6.094  -1.432  -3.843
  580    H    GLU  71           H        GLU  71 -12.121  -1.956  -0.831
  581    HA   GLU  71           HA       GLU  71 -12.936   0.898  -1.282
  582   1HB   GLU  71          1HB       GLU  71 -14.401  -1.687  -0.737
  583   2HB   GLU  71          2HB       GLU  71 -15.176  -0.134  -0.421
  584   1HG   GLU  71          1HG       GLU  71 -14.995   0.530  -2.710
  585   2HG   GLU  71          2HG       GLU  71 -13.896  -0.800  -3.080
  586    H    ASP  72           H        ASP  72 -13.391   2.174   0.639
  587    HA   ASP  72           HA       ASP  72 -13.087   2.804   2.897
  588   1HB   ASP  72          1HB       ASP  72 -14.781   0.657   2.718
  589   2HB   ASP  72          2HB       ASP  72 -13.564   0.030   3.830
  590    H    LEU  73           H        LEU  73 -12.016   1.315   5.113
  591    HA   LEU  73           HA       LEU  73  -9.227   0.825   4.121
  592   1HB   LEU  73          1HB       LEU  73  -9.586   2.794   5.572
  593   2HB   LEU  73          2HB       LEU  73 -10.283   1.754   6.814
  594    HG   LEU  73           HG       LEU  73  -7.949   0.461   6.440
  595   1HD1  LEU  73          2HD1      LEU  73  -7.521   2.545   4.780
  596   2HD1  LEU  73          1HD1      LEU  73  -6.927   3.246   6.286
  597   3HD1  LEU  73          3HD1      LEU  73  -6.223   1.750   5.672
  598   1HD2  LEU  73          1HD2      LEU  73  -9.103   1.962   8.434
  599   2HD2  LEU  73          3HD2      LEU  73  -7.550   1.142   8.572
  600   3HD2  LEU  73          2HD2      LEU  73  -7.608   2.850   8.141
  601    H    THR  74           H        THR  74 -11.297  -0.156   6.935
  602    HA   THR  74           HA       THR  74  -9.778  -2.625   7.320
  603    HB   THR  74           HB       THR  74 -12.131  -3.013   8.666
  604    HG1  THR  74           HG1      THR  74 -13.012  -1.090   9.167
  605   1HG2  THR  74          2HG2      THR  74  -9.546  -2.446   9.316
  606   2HG2  THR  74          1HG2      THR  74 -10.359  -1.002   9.917
  607   3HG2  THR  74          3HG2      THR  74 -10.843  -2.593  10.502
  608    H    GLU  75           H        GLU  75 -10.035  -3.290   4.903
  609    HA   GLU  75           HA       GLU  75 -12.554  -4.891   4.610
  610   1HB   GLU  75          1HB       GLU  75 -11.092  -3.056   2.721
  611   2HB   GLU  75          2HB       GLU  75 -12.100  -4.358   2.090
  612   1HG   GLU  75          1HG       GLU  75 -13.740  -3.251   4.010
  613   2HG   GLU  75          2HG       GLU  75 -12.894  -1.834   3.387
  614    H    LEU  76           H        LEU  76  -9.259  -4.564   3.098
  615    HA   LEU  76           HA       LEU  76  -8.831  -7.466   3.585
  616   1HB   LEU  76          1HB       LEU  76  -8.323  -7.804   1.172
  617   2HB   LEU  76          2HB       LEU  76  -9.992  -7.303   1.422
  618    HG   LEU  76           HG       LEU  76  -7.886  -5.216   0.895
  619   1HD1  LEU  76          3HD1      LEU  76  -7.731  -7.052  -0.859
  620   2HD1  LEU  76          2HD1      LEU  76  -9.397  -6.668  -1.287
  621   3HD1  LEU  76          1HD1      LEU  76  -8.137  -5.450  -1.477
  622   1HD2  LEU  76          1HD2      LEU  76 -10.796  -5.397   1.037
  623   2HD2  LEU  76          3HD2      LEU  76  -9.757  -3.976   1.094
  624   3HD2  LEU  76          2HD2      LEU  76 -10.254  -4.640  -0.459
  625    H    GLU  77           H        GLU  77  -7.333  -5.888   5.056
  626    HA   GLU  77           HA       GLU  77  -4.698  -5.933   3.688
  627   1HB   GLU  77          1HB       GLU  77  -4.223  -3.642   4.412
  628   2HB   GLU  77          2HB       GLU  77  -5.652  -3.678   3.389
  629   1HG   GLU  77          1HG       GLU  77  -6.976  -3.856   5.614
  630   2HG   GLU  77          2HG       GLU  77  -5.484  -3.311   6.377
  631    H    GLY  78           H        GLY  78  -3.004  -6.532   5.129
  632   1HA   GLY  78          2HA       GLY  78  -2.146  -7.525   7.087
  633   2HA   GLY  78          1HA       GLY  78  -3.793  -7.589   7.716
  634    H    TRP  79           H        TRP  79  -4.678  -5.297   8.369
  635    HA   TRP  79           HA       TRP  79  -2.544  -3.443   9.273
  636   1HB   TRP  79          1HB       TRP  79  -4.384  -1.894   9.676
  637   2HB   TRP  79          2HB       TRP  79  -4.588  -2.624   8.090
  638    HD1  TRP  79           HD1      TRP  79  -6.661  -4.197   7.708
  639    HE1  TRP  79           HE1      TRP  79  -8.787  -4.663   9.085
  640    HE3  TRP  79           HE3      TRP  79  -5.303  -2.110  12.173
  641    HZ2  TRP  79           HZ2      TRP  79  -9.787  -4.206  11.719
  642    HZ3  TRP  79           HZ3      TRP  79  -6.868  -2.137  14.094
  643    HH2  TRP  79           HH2      TRP  79  -9.107  -3.181  13.871
  644    H    GLU  80           H        GLU  80  -5.038  -5.592  10.677
  645    HA   GLU  80           HA       GLU  80  -4.912  -4.801  13.392
  646   1HB   GLU  80          1HB       GLU  80  -6.393  -6.558  12.320
  647   2HB   GLU  80          2HB       GLU  80  -5.021  -7.664  12.391
  648   1HG   GLU  80          1HG       GLU  80  -4.968  -6.884  14.934
  649   2HG   GLU  80          2HG       GLU  80  -6.672  -6.546  14.621
  650    H    GLU  81           H        GLU  81  -2.469  -6.643  11.545
  651    HA   GLU  81           HA       GLU  81  -0.965  -7.210  14.059
  652   1HB   GLU  81          1HB       GLU  81  -1.339  -8.921  12.238
  653   2HB   GLU  81          2HB       GLU  81  -0.313  -7.943  11.188
  654   1HG   GLU  81          1HG       GLU  81   1.610  -8.427  12.381
  655   2HG   GLU  81          2HG       GLU  81   0.735  -8.678  13.891
  656    H    LEU  82           H        LEU  82  -0.655  -5.244  11.068
  657    HA   LEU  82           HA       LEU  82   2.082  -4.405  11.671
  658   1HB   LEU  82          1HB       LEU  82  -0.053  -3.250   9.841
  659   2HB   LEU  82          2HB       LEU  82   1.645  -2.781   9.825
  660    HG   LEU  82           HG       LEU  82   0.760  -5.650   9.475
  661   1HD1  LEU  82          2HD1      LEU  82   0.123  -3.651   7.691
  662   2HD1  LEU  82          1HD1      LEU  82   1.687  -4.195   7.083
  663   3HD1  LEU  82          3HD1      LEU  82   0.362  -5.345   7.261
  664   1HD2  LEU  82          1HD2      LEU  82   3.218  -4.626  10.042
  665   2HD2  LEU  82          3HD2      LEU  82   2.972  -6.100   9.105
  666   3HD2  LEU  82          2HD2      LEU  82   3.251  -4.567   8.279
  667    H    GLU  83           H        GLU  83   2.247  -1.700  11.587
  668    HA   GLU  83           HA       GLU  83   1.496  -0.843  14.225
  669   1HB   GLU  83          1HB       GLU  83   2.444   0.544  11.719
  670   2HB   GLU  83          2HB       GLU  83   2.033   1.483  13.155
  671   1HG   GLU  83          1HG       GLU  83   3.604   0.025  14.473
  672   2HG   GLU  83          2HG       GLU  83   4.105  -0.718  12.954
  673    H    ASP  84           H        ASP  84  -0.133   0.719  14.906
  674    HA   ASP  84           HA       ASP  84  -2.614   0.582  13.278
  675   1HB   ASP  84          1HB       ASP  84  -1.907   1.476  16.078
  676   2HB   ASP  84          2HB       ASP  84  -3.510   1.761  15.399
  677    H    ASN  85           H        ASN  85  -0.362   3.069  14.537
  678    HA   ASN  85           HA       ASN  85  -1.821   5.391  13.721
  679   1HB   ASN  85          1HB       ASN  85   0.443   5.052  15.053
  680   2HB   ASN  85          2HB       ASN  85   1.174   5.255  13.461
  681   1HD2  ASN  85          2HD2      ASN  85   1.417   7.418  12.711
  682   2HD2  ASN  85          1HD2      ASN  85   0.682   8.757  13.450
  683    H    GLU  86           H        GLU  86   0.546   3.426  11.869
  684    HA   GLU  86           HA       GLU  86   0.496   5.008   9.467
  685   1HB   GLU  86          1HB       GLU  86   0.967   2.055   9.990
  686   2HB   GLU  86          2HB       GLU  86   1.188   2.786   8.400
  687   1HG   GLU  86          1HG       GLU  86   2.617   4.533   9.870
  688   2HG   GLU  86          2HG       GLU  86   2.821   3.094  10.868
  689    H    LYS  87           H        LYS  87  -1.601   2.321  10.565
  690    HA   LYS  87           HA       LYS  87  -3.157   1.966   8.204
  691   1HB   LYS  87          1HB       LYS  87  -3.319   0.476  10.129
  692   2HB   LYS  87          2HB       LYS  87  -3.895   1.790  11.149
  693   1HG   LYS  87          1HG       LYS  87  -5.582   1.550   8.805
  694   2HG   LYS  87          2HG       LYS  87  -5.461  -0.008   9.621
  695   1HD   LYS  87          1HD       LYS  87  -5.844   2.332  11.402
  696   2HD   LYS  87          2HD       LYS  87  -7.213   1.941  10.363
  697   1HE   LYS  87          1HE       LYS  87  -7.309  -0.325  11.225
  698   2HE   LYS  87          2HE       LYS  87  -5.802  -0.088  12.131
  699   1HZ   LYS  87          1HZ       LYS  87  -8.282   1.512  12.487
  700   2HZ   LYS  87          3HZ       LYS  87  -7.763   0.280  13.531
  701   3HZ   LYS  87          2HZ       LYS  87  -6.839   1.695  13.366
  702    H    GLU  88           H        GLU  88  -3.484   4.408  10.802
  703    HA   GLU  88           HA       GLU  88  -5.979   5.553   9.974
  704   1HB   GLU  88          1HB       GLU  88  -4.302   5.986  12.028
  705   2HB   GLU  88          2HB       GLU  88  -3.780   7.318  10.996
  706   1HG   GLU  88          1HG       GLU  88  -6.684   6.809  11.678
  707   2HG   GLU  88          2HG       GLU  88  -5.651   7.887  12.617
  708    H    GLN  89           H        GLN  89  -2.623   6.286   8.912
  709    HA   GLN  89           HA       GLN  89  -3.277   8.499   7.197
  710   1HB   GLN  89          1HB       GLN  89  -1.039   6.530   7.461
  711   2HB   GLN  89          2HB       GLN  89  -1.116   7.474   5.973
  712   1HG   GLN  89          1HG       GLN  89  -1.385   8.834   8.644
  713   2HG   GLN  89          2HG       GLN  89   0.210   8.449   7.997
  714   1HE2  GLN  89          1HE2      GLN  89   0.877  10.617   7.411
  715   2HE2  GLN  89          2HE2      GLN  89   0.050  11.537   6.250
  716    H    ILE  90           H        ILE  90  -3.450   4.981   6.616
  717    HA   ILE  90           HA       ILE  90  -3.788   5.132   3.745
  718    HB   ILE  90           HB       ILE  90  -4.756   3.089   5.787
  719   1HG1  ILE  90          1HG1      ILE  90  -2.341   3.037   3.951
  720   2HG1  ILE  90          2HG1      ILE  90  -2.270   3.499   5.649
  721   1HG2  ILE  90          2HG2      ILE  90  -5.955   2.983   3.577
  722   2HG2  ILE  90          1HG2      ILE  90  -4.392   2.759   2.792
  723   3HG2  ILE  90          3HG2      ILE  90  -4.993   1.546   3.924
  724   1HD1  ILE  90          2HD1      ILE  90  -3.634   0.930   5.040
  725   2HD1  ILE  90          1HD1      ILE  90  -1.885   0.963   4.820
  726   3HD1  ILE  90          3HD1      ILE  90  -2.582   1.353   6.390
  727    H    THR  91           H        THR  91  -6.148   5.269   6.461
  728    HA   THR  91           HA       THR  91  -8.539   5.198   4.877
  729    HB   THR  91           HB       THR  91  -8.027   6.789   7.413
  730    HG1  THR  91           HG1      THR  91  -8.428   4.923   8.485
  731   1HG2  THR  91          2HG2      THR  91 -10.194   7.154   6.129
  732   2HG2  THR  91          1HG2      THR  91 -10.577   5.467   6.469
  733   3HG2  THR  91          3HG2      THR  91 -10.382   6.611   7.796
  734    H    GLN  92           H        GLN  92  -6.407   7.945   5.731
  735    HA   GLN  92           HA       GLN  92  -8.002  10.078   4.700
  736   1HB   GLN  92          1HB       GLN  92  -5.617   9.953   5.902
  737   2HB   GLN  92          2HB       GLN  92  -5.035  10.061   4.240
  738   1HG   GLN  92          1HG       GLN  92  -5.191  12.317   4.921
  739   2HG   GLN  92          2HG       GLN  92  -6.678  12.052   4.009
  740   1HE2  GLN  92          1HE2      GLN  92  -5.487  13.171   7.026
  741   2HE2  GLN  92          2HE2      GLN  92  -6.951  13.107   7.882
  742    H    HIS  93           H        HIS  93  -5.824   7.804   2.977
  743    HA   HIS  93           HA       HIS  93  -5.815   9.069   0.413
  744   1HB   HIS  93          1HB       HIS  93  -5.341   6.355   1.514
  745   2HB   HIS  93          2HB       HIS  93  -5.843   6.370  -0.174
  746    HD1  HIS  93           HD1      HIS  93  -4.287   7.593  -1.879
  747    HD2  HIS  93           HD2      HIS  93  -2.765   7.413   1.996
  748    HE1  HIS  93           HE1      HIS  93  -1.829   8.172  -2.048
  749    H    ILE  94           H        ILE  94  -8.076   6.516   1.626
  750    HA   ILE  94           HA       ILE  94  -9.778   6.605  -0.711
  751    HB   ILE  94           HB       ILE  94 -10.255   5.729   2.163
  752   1HG1  ILE  94          1HG1      ILE  94 -10.299   3.577   0.296
  753   2HG1  ILE  94          2HG1      ILE  94  -8.917   4.580  -0.135
  754   1HG2  ILE  94          1HG2      ILE  94 -12.409   6.292   1.053
  755   2HG2  ILE  94          3HG2      ILE  94 -11.992   5.209  -0.276
  756   3HG2  ILE  94          2HG2      ILE  94 -12.257   4.559   1.342
  757   1HD1  ILE  94          1HD1      ILE  94  -8.445   4.551   2.452
  758   2HD1  ILE  94          3HD1      ILE  94  -9.463   3.111   2.424
  759   3HD1  ILE  94          2HD1      ILE  94  -7.984   3.165   1.461
  760    H    ALA  95           H        ALA  95  -9.854   8.410   2.381
  761    HA   ALA  95           HA       ALA  95 -12.367   9.762   1.838
  762   1HB   ALA  95          1HB       ALA  95 -11.217  11.449   3.536
  763   2HB   ALA  95          2HB       ALA  95 -10.028  10.156   3.687
  764   3HB   ALA  95          3HB       ALA  95 -11.718   9.850   4.087
  765    H    ASP  96           H        ASP  96  -8.948  10.557   1.114
  766    HA   ASP  96           HA       ASP  96  -9.468  13.228   0.111
  767   1HB   ASP  96          1HB       ASP  96  -7.266  11.198  -0.103
  768   2HB   ASP  96          2HB       ASP  96  -7.233  12.585  -1.193
  769    H    LEU  97           H        LEU  97  -9.386  10.008  -1.487
  770    HA   LEU  97           HA       LEU  97  -9.830  11.113  -4.164
  771   1HB   LEU  97          1HB       LEU  97  -8.756   8.904  -3.689
  772   2HB   LEU  97          2HB       LEU  97 -10.304   8.308  -3.089
  773    HG   LEU  97           HG       LEU  97 -11.109   9.260  -5.478
  774   1HD1  LEU  97          3HD1      LEU  97  -8.161   8.831  -5.642
  775   2HD1  LEU  97          2HD1      LEU  97  -9.137   8.248  -6.992
  776   3HD1  LEU  97          1HD1      LEU  97  -9.185   9.953  -6.539
  777   1HD2  LEU  97          2HD2      LEU  97 -11.285   6.921  -4.469
  778   2HD2  LEU  97          1HD2      LEU  97 -11.136   6.982  -6.224
  779   3HD2  LEU  97          3HD2      LEU  97  -9.736   6.572  -5.233
  780    H    SER  98           H        SER  98 -11.970   9.861  -1.570
  781    HA   SER  98           HA       SER  98 -14.342  10.247  -3.341
  782   1HB   SER  98          1HB       SER  98 -13.959   9.086  -0.561
  783   2HB   SER  98          2HB       SER  98 -15.515   9.173  -1.383
  784    HG   SER  98           HG       SER  98 -14.751   7.219  -1.941
  785    H    SER  99           H        SER  99 -13.355  12.734  -2.985
  786    HA   SER  99           HA       SER  99 -15.134  13.920  -0.889
  787   1HB   SER  99          1HB       SER  99 -13.294  15.418  -0.281
  788   2HB   SER  99          2HB       SER  99 -12.752  13.748  -0.146
  789    HG   SER  99           HG       SER  99 -11.612  13.964  -1.996
  790    H    LYS 100           H        LYS 100 -15.669  13.682  -3.762
  791    HA   LYS 100           HA       LYS 100 -15.720  16.589  -4.455
  792   1HB   LYS 100          1HB       LYS 100 -13.831  15.071  -5.499
  793   2HB   LYS 100          2HB       LYS 100 -15.140  14.492  -6.531
  794   1HG   LYS 100          1HG       LYS 100 -15.589  17.138  -6.730
  795   2HG   LYS 100          2HG       LYS 100 -13.851  17.174  -6.431
  796   1HD   LYS 100          1HD       LYS 100 -14.869  15.207  -8.435
  797   2HD   LYS 100          2HD       LYS 100 -14.832  16.908  -8.901
  798   1HE   LYS 100          1HE       LYS 100 -12.402  16.939  -8.074
  799   2HE   LYS 100          2HE       LYS 100 -12.507  15.167  -8.042
  800   1HZ   LYS 100          3HZ       LYS 100 -13.361  15.280 -10.350
  801   2HZ   LYS 100          2HZ       LYS 100 -13.028  16.946 -10.365
  802   3HZ   LYS 100          1HZ       LYS 100 -11.761  15.825 -10.204
  803    H    ALA 101           H        ALA 101 -18.018  16.756  -4.186
  804    HA   ALA 101           HA       ALA 101 -20.297  16.424  -4.696
  805   1HB   ALA 101          3HB       ALA 101 -20.631  16.534  -6.975
  806   2HB   ALA 101          1HB       ALA 101 -19.515  15.208  -7.305
  807   3HB   ALA 101          2HB       ALA 101 -18.891  16.821  -6.959
  808    H    ALA 102           H        ALA 102 -20.395  14.596  -3.056
  809    HA   ALA 102           HA       ALA 102 -20.645  11.921  -4.398
  810   1HB   ALA 102          3HB       ALA 102 -18.787  12.175  -2.764
  811   2HB   ALA 102          2HB       ALA 102 -19.957  12.640  -1.529
  812   3HB   ALA 102          1HB       ALA 102 -19.988  11.011  -2.205
  813    H    GLY 103           H        GLY 103 -22.097  10.508  -2.569
  814   1HA   GLY 103          2HA       GLY 103 -24.550  10.325  -2.518
  815   2HA   GLY 103          1HA       GLY 103 -24.630  12.080  -2.355
  816    H    THR 104           H        THR 104 -25.945  11.742  -0.366
  817    HA   THR 104           HA       THR 104 -24.432  10.598   1.943
  818    HB   THR 104           HB       THR 104 -25.149  12.724   3.179
  819    HG1  THR 104           HG1      THR 104 -25.744  14.439   1.913
  820   1HG2  THR 104          2HG2      THR 104 -22.864  12.144   1.934
  821   2HG2  THR 104          1HG2      THR 104 -23.351  13.509   0.930
  822   3HG2  THR 104          3HG2      THR 104 -23.137  13.725   2.667
  823    HA   PRO 105           HA       PRO 105 -28.821   9.282   2.058
  824   1HB   PRO 105          1HB       PRO 105 -28.350   6.876   3.274
  825   2HB   PRO 105          2HB       PRO 105 -28.213   7.114   1.520
  826   1HG   PRO 105          1HG       PRO 105 -26.078   6.989   3.586
  827   2HG   PRO 105          2HG       PRO 105 -26.091   6.352   1.934
  828   1HD   PRO 105          1HD       PRO 105 -24.818   8.658   2.659
  829   2HD   PRO 105          2HD       PRO 105 -25.437   8.343   1.023
  830    H    LYS 106           H        LYS 106 -28.778  11.155   3.749
  831    HA   LYS 106           HA       LYS 106 -29.068   9.975   6.481
  832   1HB   LYS 106          1HB       LYS 106 -26.795  11.029   6.062
  833   2HB   LYS 106          2HB       LYS 106 -27.631  12.568   5.847
  834   1HG   LYS 106          1HG       LYS 106 -28.424  12.572   8.092
  835   2HG   LYS 106          2HG       LYS 106 -28.004  10.874   8.322
  836   1HD   LYS 106          1HD       LYS 106 -25.571  11.618   7.840
  837   2HD   LYS 106          2HD       LYS 106 -26.159  13.253   8.140
  838   1HE   LYS 106          1HE       LYS 106 -26.957  11.224  10.161
  839   2HE   LYS 106          2HE       LYS 106 -25.233  11.650  10.126
  840   1HZ   LYS 106          1HZ       LYS 106 -27.460  13.619  10.138
  841   2HZ   LYS 106          3HZ       LYS 106 -26.560  13.185  11.508
  842   3HZ   LYS 106          2HZ       LYS 106 -25.800  13.970  10.208
  843    H    LYS 107           H        LYS 107 -31.407  10.241   6.301
  844    HA   LYS 107           HA       LYS 107 -32.317  13.096   6.087
  845   1HB   LYS 107          1HB       LYS 107 -33.285  10.479   5.034
  846   2HB   LYS 107          2HB       LYS 107 -34.517  11.645   5.516
  847   1HG   LYS 107          1HG       LYS 107 -32.972  13.317   4.136
  848   2HG   LYS 107          2HG       LYS 107 -32.491  11.827   3.325
  849   1HD   LYS 107          1HD       LYS 107 -35.108  11.408   3.258
  850   2HD   LYS 107          2HD       LYS 107 -35.168  13.165   3.397
  851   1HE   LYS 107          1HE       LYS 107 -33.435  13.174   1.458
  852   2HE   LYS 107          2HE       LYS 107 -33.957  11.499   1.190
  853   1HZ   LYS 107          1HZ       LYS 107 -36.269  12.295   1.204
  854   2HZ   LYS 107          3HZ       LYS 107 -35.715  13.892   1.327
  855   3HZ   LYS 107          2HZ       LYS 107 -35.367  12.979  -0.063
  856    H    LYS 108           H        LYS 108 -33.785  13.833   7.725
  857    HA   LYS 108           HA       LYS 108 -34.253  11.905   9.980
  858   1HB   LYS 108          1HB       LYS 108 -33.290  14.699   9.751
  859   2HB   LYS 108          2HB       LYS 108 -34.432  14.408  11.063
  860   1HG   LYS 108          1HG       LYS 108 -32.160  12.490  10.661
  861   2HG   LYS 108          2HG       LYS 108 -31.848  14.032  11.457
  862   1HD   LYS 108          1HD       LYS 108 -33.121  13.499  13.299
  863   2HD   LYS 108          2HD       LYS 108 -34.226  12.483  12.373
  864   1HE   LYS 108          1HE       LYS 108 -32.804  10.623  12.463
  865   2HE   LYS 108          2HE       LYS 108 -31.360  11.620  12.732
  866   1HZ   LYS 108          2HZ       LYS 108 -33.627  11.456  14.643
  867   2HZ   LYS 108          1HZ       LYS 108 -32.222  10.510  14.776
  868   3HZ   LYS 108          3HZ       LYS 108 -32.119  12.199  14.895
  869    H    ALA 109           H        ALA 109 -36.433  11.486  10.384
  870    HA   ALA 109           HA       ALA 109 -38.435  13.472   9.349
  871   1HB   ALA 109          3HB       ALA 109 -39.825  11.208   9.352
  872   2HB   ALA 109          2HB       ALA 109 -38.724  11.577   8.024
  873   3HB   ALA 109          1HB       ALA 109 -38.219  10.480   9.310
  874    H    VAL 110           H        VAL 110 -40.575  13.363  10.632
  875    HA   VAL 110           HA       VAL 110 -39.992  12.844  13.532
  876    HB   VAL 110           HB       VAL 110 -41.848  14.831  12.170
  877   1HG1  VAL 110          2HG1      VAL 110 -42.511  13.946  14.480
  878   2HG1  VAL 110          1HG1      VAL 110 -41.050  14.725  15.087
  879   3HG1  VAL 110          3HG1      VAL 110 -42.322  15.694  14.345
  880   1HG2  VAL 110          2HG2      VAL 110 -39.384  15.285  11.942
  881   2HG2  VAL 110          1HG2      VAL 110 -40.239  16.517  12.870
  882   3HG2  VAL 110          3HG2      VAL 110 -39.269  15.302  13.701
  883    H    VAL 111           H        VAL 111 -41.267  11.230  14.461
  884    HA   VAL 111           HA       VAL 111 -43.782  10.455  13.012
  885    HB   VAL 111           HB       VAL 111 -41.882   8.846  14.759
  886   1HG1  VAL 111          3HG1      VAL 111 -44.239   8.066  14.853
  887   2HG1  VAL 111          2HG1      VAL 111 -44.260   7.961  13.092
  888   3HG1  VAL 111          1HG1      VAL 111 -43.200   6.906  14.025
  889   1HG2  VAL 111          1HG2      VAL 111 -42.340   8.889  11.757
  890   2HG2  VAL 111          3HG2      VAL 111 -40.880   9.408  12.600
  891   3HG2  VAL 111          2HG2      VAL 111 -41.340   7.706  12.601
  892    H    GLN 112           H        GLN 112 -45.629  11.021  14.169
  893    HA   GLN 112           HA       GLN 112 -45.403  11.174  17.160
  894   1HB   GLN 112          1HB       GLN 112 -47.003  12.708  15.095
  895   2HB   GLN 112          2HB       GLN 112 -47.349  12.807  16.822
  896   1HG   GLN 112          1HG       GLN 112 -44.549  13.253  15.817
  897   2HG   GLN 112          2HG       GLN 112 -45.729  14.563  15.763
  898   1HE2  GLN 112          1HE2      GLN 112 -43.267  13.547  17.689
  899   2HE2  GLN 112          2HE2      GLN 112 -43.884  13.974  19.211
  900    H    ALA 113           H        ALA 113 -46.697   9.694  18.271
  901    HA   ALA 113           HA       ALA 113 -48.931   8.400  16.737
  902   1HB   ALA 113          2HB       ALA 113 -46.991   6.960  17.284
  903   2HB   ALA 113          1HB       ALA 113 -47.182   7.360  18.991
  904   3HB   ALA 113          3HB       ALA 113 -48.431   6.437  18.156
  905    H    LYS 114           H        LYS 114 -50.996   8.487  17.697
  906    HA   LYS 114           HA       LYS 114 -51.142   9.630  20.472
  907   1HB   LYS 114          1HB       LYS 114 -52.864  10.015  18.004
  908   2HB   LYS 114          2HB       LYS 114 -53.312  10.610  19.603
  909   1HG   LYS 114          1HG       LYS 114 -51.291  11.978  19.702
  910   2HG   LYS 114          2HG       LYS 114 -50.746  11.329  18.155
  911   1HD   LYS 114          1HD       LYS 114 -52.378  12.478  16.944
  912   2HD   LYS 114          2HD       LYS 114 -53.441  12.643  18.342
  913   1HE   LYS 114          1HE       LYS 114 -52.584  14.808  18.233
  914   2HE   LYS 114          2HE       LYS 114 -51.362  14.058  19.279
  915   1HZ   LYS 114          3HZ       LYS 114 -50.145  13.428  17.229
  916   2HZ   LYS 114          2HZ       LYS 114 -51.245  14.356  16.325
  917   3HZ   LYS 114          1HZ       LYS 114 -50.234  15.105  17.467
  918    H    LEU 115           H        LEU 115 -52.195   8.276  21.942
  919    HA   LEU 115           HA       LEU 115 -53.881   6.067  20.807
  920   1HB   LEU 115          1HB       LEU 115 -51.582   6.042  22.419
  921   2HB   LEU 115          2HB       LEU 115 -52.903   5.729  23.543
  922    HG   LEU 115           HG       LEU 115 -53.674   4.083  21.579
  923   1HD1  LEU 115          2HD1      LEU 115 -51.566   4.893  20.289
  924   2HD1  LEU 115          1HD1      LEU 115 -50.674   3.849  21.395
  925   3HD1  LEU 115          3HD1      LEU 115 -51.901   3.162  20.330
  926   1HD2  LEU 115          2HD2      LEU 115 -51.798   3.749  23.885
  927   2HD2  LEU 115          1HD2      LEU 115 -53.402   3.058  23.636
  928   3HD2  LEU 115          3HD2      LEU 115 -52.010   2.380  22.793
  929    H    THR 116           H        THR 116 -55.876   5.560  21.993
  930    HA   THR 116           HA       THR 116 -56.796   7.795  23.776
  931    HB   THR 116           HB       THR 116 -58.422   5.958  21.991
  932    HG1  THR 116           HG1      THR 116 -57.262   7.147  20.602
  933   1HG2  THR 116          1HG2      THR 116 -58.994   8.338  23.717
  934   2HG2  THR 116          3HG2      THR 116 -59.943   8.106  22.249
  935   3HG2  THR 116          2HG2      THR 116 -59.935   6.862  23.500
  936    H    THR 117           H        THR 117 -57.433   7.175  25.860
  937    HA   THR 117           HA       THR 117 -57.820   4.236  26.349
  938    HB   THR 117           HB       THR 117 -56.980   6.193  28.462
  939    HG1  THR 117           HG1      THR 117 -54.931   6.209  27.737
  940   1HG2  THR 117          3HG2      THR 117 -56.703   3.274  27.861
  941   2HG2  THR 117          2HG2      THR 117 -55.482   4.049  28.871
  942   3HG2  THR 117          1HG2      THR 117 -57.175   4.067  29.364

  No H/Q in entry =         942
  Start of MODEL   25
    1    H1   MET   1           H        MET   1 -13.014 -16.877 -16.271
    2    H2   MET   1           HN2      MET   1 -14.214 -16.302 -15.214
    3    HA   MET   1           HA       MET   1 -13.271 -17.549 -13.382
    4   1HB   MET   1          1HB       MET   1 -11.810 -18.675 -15.728
    5   2HB   MET   1          2HB       MET   1 -10.923 -18.581 -14.206
    6   1HG   MET   1          1HG       MET   1 -12.813 -19.767 -13.080
    7   2HG   MET   1          2HG       MET   1 -13.593 -19.948 -14.651
    8   1HE   MET   1          2HE       MET   1 -13.201 -22.011 -12.774
    9   2HE   MET   1          1HE       MET   1 -13.417 -22.935 -14.258
   10   3HE   MET   1          3HE       MET   1 -12.072 -23.304 -13.171
   11    H    ALA   2           H        ALA   2 -12.959 -15.297 -12.735
   12    HA   ALA   2           HA       ALA   2 -10.203 -14.281 -13.293
   13   1HB   ALA   2          2HB       ALA   2 -11.931 -13.281 -14.834
   14   2HB   ALA   2          1HB       ALA   2 -12.750 -12.636 -13.413
   15   3HB   ALA   2          3HB       ALA   2 -11.123 -12.091 -13.815
   16    H    GLU   3           H        GLU   3  -9.239 -13.871 -11.299
   17    HA   GLU   3           HA       GLU   3 -10.981 -12.846  -9.087
   18   1HB   GLU   3          1HB       GLU   3  -9.192 -15.251  -9.244
   19   2HB   GLU   3          2HB       GLU   3  -9.355 -14.418  -7.698
   20   1HG   GLU   3          1HG       GLU   3 -11.099 -15.967  -7.580
   21   2HG   GLU   3          2HG       GLU   3 -11.929 -14.545  -8.216
   22    H    GLN   4           H        GLN   4  -9.906 -11.317  -7.708
   23    HA   GLN   4           HA       GLN   4  -7.018 -10.780  -8.289
   24   1HB   GLN   4          1HB       GLN   4  -9.344  -8.828  -8.261
   25   2HB   GLN   4          2HB       GLN   4  -7.649  -8.347  -8.348
   26   1HG   GLN   4          1HG       GLN   4  -8.002  -8.450 -10.601
   27   2HG   GLN   4          2HG       GLN   4  -7.738 -10.177 -10.360
   28   1HE2  GLN   4          1HE2      GLN   4  -9.498  -8.995 -12.448
   29   2HE2  GLN   4          2HE2      GLN   4 -11.065  -9.554 -12.113
   30    H    ARG   5           H        ARG   5  -5.852 -10.411  -6.376
   31    HA   ARG   5           HA       ARG   5  -7.459  -9.952  -3.880
   32   1HB   ARG   5          1HB       ARG   5  -5.349 -11.824  -4.685
   33   2HB   ARG   5          2HB       ARG   5  -4.973 -10.996  -3.175
   34   1HG   ARG   5          1HG       ARG   5  -6.705 -11.982  -2.044
   35   2HG   ARG   5          2HG       ARG   5  -7.753 -12.009  -3.463
   36   1HD   ARG   5          1HD       ARG   5  -5.326 -13.754  -3.536
   37   2HD   ARG   5          2HD       ARG   5  -6.677 -14.266  -2.506
   38    HE   ARG   5           HE       ARG   5  -6.781 -13.939  -5.447
   39   1HH1  ARG   5          1HH1      ARG   5  -7.724 -16.371  -3.903
   40   2HH1  ARG   5          2HH1      ARG   5  -9.444 -16.175  -3.968
   41   1HH2  ARG   5          1HH2      ARG   5  -9.293 -12.840  -4.908
   42   2HH2  ARG   5          2HH2      ARG   5 -10.332 -14.176  -4.537
   43    H    PHE   6           H        PHE   6  -6.562  -8.447  -2.325
   44    HA   PHE   6           HA       PHE   6  -4.145  -6.889  -3.134
   45   1HB   PHE   6          1HB       PHE   6  -6.971  -6.093  -3.331
   46   2HB   PHE   6          2HB       PHE   6  -5.999  -4.944  -2.419
   47    HD1  PHE   6           HD1      PHE   6  -7.032  -5.950  -5.626
   48    HD2  PHE   6           HD2      PHE   6  -3.666  -4.302  -3.525
   49    HE1  PHE   6           HE1      PHE   6  -6.173  -5.014  -7.742
   50    HE2  PHE   6           HE2      PHE   6  -2.804  -3.368  -5.646
   51    HZ   PHE   6           HZ       PHE   6  -4.054  -3.720  -7.762
   52    H    CYS   7           H        CYS   7  -3.007  -6.225  -1.258
   53    HA   CYS   7           HA       CYS   7  -4.496  -5.886   1.303
   54   1HB   CYS   7          1HB       CYS   7  -2.997  -7.538   2.436
   55   2HB   CYS   7          2HB       CYS   7  -3.982  -8.294   1.186
   56    HG   CYS   7           HG       CYS   7  -1.640  -9.147   0.637
   57    H    VAL   8           H        VAL   8  -3.089  -4.741   2.954
   58    HA   VAL   8           HA       VAL   8  -0.885  -3.245   1.595
   59    HB   VAL   8           HB       VAL   8  -1.267  -1.522   3.242
   60   1HG1  VAL   8          1HG1      VAL   8  -3.113  -2.247   1.374
   61   2HG1  VAL   8          3HG1      VAL   8  -4.104  -2.239   2.832
   62   3HG1  VAL   8          2HG1      VAL   8  -3.225  -0.787   2.357
   63   1HG2  VAL   8          3HG2      VAL   8  -2.501  -3.737   4.753
   64   2HG2  VAL   8          2HG2      VAL   8  -1.718  -2.272   5.339
   65   3HG2  VAL   8          1HG2      VAL   8  -3.404  -2.224   4.829
   66    H    ASP   9           H        ASP   9   1.248  -3.245   2.424
   67    HA   ASP   9           HA       ASP   9   1.740  -4.723   4.977
   68   1HB   ASP   9          1HB       ASP   9   1.882  -6.043   2.670
   69   2HB   ASP   9          2HB       ASP   9   3.449  -5.241   2.565
   70    H    TYR  10           H        TYR  10   3.688  -3.994   6.044
   71    HA   TYR  10           HA       TYR  10   4.744  -1.416   4.962
   72   1HB   TYR  10          1HB       TYR  10   4.273  -2.629   7.588
   73   2HB   TYR  10          2HB       TYR  10   5.879  -1.915   7.472
   74    HD1  TYR  10           HD1      TYR  10   2.807  -1.160   8.672
   75    HD2  TYR  10           HD2      TYR  10   5.616   0.396   5.809
   76    HE1  TYR  10           HE1      TYR  10   1.836   1.109   8.935
   77    HE2  TYR  10           HE2      TYR  10   4.639   2.657   6.077
   78    HH   TYR  10           HH       TYR  10   1.788   3.301   7.210
   79    H    ALA  11           H        ALA  11   7.050  -1.067   4.715
   80    HA   ALA  11           HA       ALA  11   8.518  -3.577   4.059
   81   1HB   ALA  11          2HB       ALA  11   8.336  -0.969   2.983
   82   2HB   ALA  11          1HB       ALA  11   9.982  -1.115   3.597
   83   3HB   ALA  11          3HB       ALA  11   9.374  -2.277   2.419
   84    H    LYS  12           H        LYS  12  10.543  -4.148   5.040
   85    HA   LYS  12           HA       LYS  12  11.216  -2.613   7.532
   86   1HB   LYS  12          1HB       LYS  12  11.289  -5.567   6.849
   87   2HB   LYS  12          2HB       LYS  12  11.976  -4.898   8.329
   88   1HG   LYS  12          1HG       LYS  12   9.193  -4.065   7.730
   89   2HG   LYS  12          2HG       LYS  12   9.405  -5.770   8.129
   90   1HD   LYS  12          1HD       LYS  12  10.706  -5.053  10.165
   91   2HD   LYS  12          2HD       LYS  12  10.249  -3.388   9.802
   92   1HE   LYS  12          1HE       LYS  12   8.601  -4.143  11.359
   93   2HE   LYS  12          2HE       LYS  12   7.806  -4.279   9.778
   94   1HZ   LYS  12          1HZ       LYS  12   9.373  -6.480  11.003
   95   2HZ   LYS  12          3HZ       LYS  12   7.694  -6.332  11.191
   96   3HZ   LYS  12          2HZ       LYS  12   8.358  -6.563   9.644
   97    H    ARG  13           H        ARG  13  12.720  -4.986   5.235
   98    HA   ARG  13           HA       ARG  13  15.126  -3.210   5.121
   99   1HB   ARG  13          1HB       ARG  13  14.992  -5.371   6.749
  100   2HB   ARG  13          2HB       ARG  13  15.527  -6.155   5.263
  101   1HG   ARG  13          1HG       ARG  13  17.182  -4.018   5.256
  102   2HG   ARG  13          2HG       ARG  13  16.956  -4.208   6.995
  103   1HD   ARG  13          1HD       ARG  13  17.810  -6.437   5.109
  104   2HD   ARG  13          2HD       ARG  13  18.894  -5.545   6.194
  105    HE   ARG  13           HE       ARG  13  16.674  -7.328   7.092
  106   1HH1  ARG  13          1HH1      ARG  13  16.522  -6.259   9.418
  107   2HH1  ARG  13          2HH1      ARG  13  18.015  -6.421  10.281
  108   1HH2  ARG  13          1HH2      ARG  13  19.877  -7.163   7.452
  109   2HH2  ARG  13          2HH2      ARG  13  19.915  -6.934   9.168
  110    H    GLY  14           H        GLY  14  15.868  -3.007   2.985
  111   1HA   GLY  14          2HA       GLY  14  14.940  -5.076   1.029
  112   2HA   GLY  14          1HA       GLY  14  16.469  -4.209   0.880
  113    H    THR  15           H        THR  15  15.519  -3.643  -1.343
  114    HA   THR  15           HA       THR  15  13.496  -1.442  -1.158
  115    HB   THR  15           HB       THR  15  16.056  -1.396  -2.780
  116    HG1  THR  15           HG1      THR  15  16.913  -0.193  -1.156
  117   1HG2  THR  15          1HG2      THR  15  13.965   0.677  -2.080
  118   2HG2  THR  15          3HG2      THR  15  15.521   1.070  -2.811
  119   3HG2  THR  15          2HG2      THR  15  14.365   0.065  -3.684
  120    H    ALA  16           H        ALA  16  12.069  -1.346  -2.981
  121    HA   ALA  16           HA       ALA  16  12.657  -3.177  -5.263
  122   1HB   ALA  16          3HB       ALA  16   9.986  -3.080  -3.848
  123   2HB   ALA  16          2HB       ALA  16  10.560  -4.290  -4.995
  124   3HB   ALA  16          1HB       ALA  16  11.251  -4.213  -3.375
  125    H    GLY  17           H        GLY  17  11.810  -2.449  -7.262
  126   1HA   GLY  17          2HA       GLY  17  11.098  -0.792  -8.761
  127   2HA   GLY  17          1HA       GLY  17  11.068   0.343  -7.411
  128    H    CYS  18           H        CYS  18   9.031   1.214  -7.279
  129    HA   CYS  18           HA       CYS  18   6.706  -0.388  -6.660
  130   1HB   CYS  18          1HB       CYS  18   6.894   1.921  -5.969
  131   2HB   CYS  18          2HB       CYS  18   7.135   2.461  -7.622
  132    H    LYS  19           H        LYS  19   5.300  -1.485  -8.049
  133    HA   LYS  19           HA       LYS  19   5.852  -1.742 -10.868
  134   1HB   LYS  19          1HB       LYS  19   4.361  -3.127  -9.091
  135   2HB   LYS  19          2HB       LYS  19   3.074  -2.197  -9.859
  136   1HG   LYS  19          1HG       LYS  19   5.075  -3.484 -11.654
  137   2HG   LYS  19          2HG       LYS  19   3.913  -4.542 -10.853
  138   1HD   LYS  19          1HD       LYS  19   2.225  -2.613 -11.670
  139   2HD   LYS  19          2HD       LYS  19   3.458  -2.450 -12.923
  140   1HE   LYS  19          1HE       LYS  19   3.187  -5.175 -12.825
  141   2HE   LYS  19          2HE       LYS  19   1.530  -4.646 -12.470
  142   1HZ   LYS  19          2HZ       LYS  19   1.728  -3.080 -14.354
  143   2HZ   LYS  19          1HZ       LYS  19   3.229  -3.771 -14.746
  144   3HZ   LYS  19          3HZ       LYS  19   1.817  -4.705 -14.838
  145    H    LYS  20           H        LYS  20   4.785  -0.742 -12.715
  146    HA   LYS  20           HA       LYS  20   3.805   1.091 -13.853
  147   1HB   LYS  20          1HB       LYS  20   2.000   0.509 -11.498
  148   2HB   LYS  20          2HB       LYS  20   1.612   1.818 -12.619
  149   1HG   LYS  20          1HG       LYS  20   1.546   0.297 -14.491
  150   2HG   LYS  20          2HG       LYS  20   2.175  -1.024 -13.503
  151   1HD   LYS  20          1HD       LYS  20   0.170  -1.216 -12.271
  152   2HD   LYS  20          2HD       LYS  20  -0.393   0.378 -12.772
  153   1HE   LYS  20          1HE       LYS  20  -0.947  -0.367 -14.950
  154   2HE   LYS  20          2HE       LYS  20   0.052  -1.827 -14.795
  155   1HZ   LYS  20          3HZ       LYS  20  -1.402  -2.497 -12.922
  156   2HZ   LYS  20          2HZ       LYS  20  -2.422  -1.187 -13.280
  157   3HZ   LYS  20          1HZ       LYS  20  -2.215  -2.440 -14.409
  158    H    CYS  21           H        CYS  21   6.040   1.810 -12.240
  159    HA   CYS  21           HA       CYS  21   5.445   4.640 -11.665
  160   1HB   CYS  21          1HB       CYS  21   4.571   3.530  -9.694
  161   2HB   CYS  21          2HB       CYS  21   6.022   2.555  -9.540
  162    H    LYS  22           H        LYS  22   7.403   5.883 -11.661
  163    HA   LYS  22           HA       LYS  22   9.902   4.347 -12.265
  164   1HB   LYS  22          1HB       LYS  22   8.685   6.862 -13.095
  165   2HB   LYS  22          2HB       LYS  22  10.319   7.142 -12.500
  166   1HG   LYS  22          1HG       LYS  22  10.432   6.668 -14.879
  167   2HG   LYS  22          2HG       LYS  22  11.125   5.305 -14.000
  168   1HD   LYS  22          1HD       LYS  22   8.558   4.493 -14.094
  169   2HD   LYS  22          2HD       LYS  22   8.601   5.463 -15.568
  170   1HE   LYS  22          1HE       LYS  22  10.908   4.119 -15.911
  171   2HE   LYS  22          2HE       LYS  22  10.031   2.920 -14.940
  172   1HZ   LYS  22          3HZ       LYS  22   8.105   3.262 -16.428
  173   2HZ   LYS  22          2HZ       LYS  22   9.067   4.256 -17.415
  174   3HZ   LYS  22          1HZ       LYS  22   9.448   2.610 -17.232
  175    H    GLU  23           H        GLU  23   9.348   3.971  -9.662
  176    HA   GLU  23           HA       GLU  23  11.258   5.761  -8.242
  177   1HB   GLU  23          1HB       GLU  23   8.592   6.213  -8.167
  178   2HB   GLU  23          2HB       GLU  23   8.724   5.043  -6.859
  179   1HG   GLU  23          1HG       GLU  23   9.903   6.471  -5.516
  180   2HG   GLU  23          2HG       GLU  23  10.771   7.190  -6.873
  181    H    LYS  24           H        LYS  24  11.161   4.715  -5.722
  182    HA   LYS  24           HA       LYS  24  11.355   1.729  -6.004
  183   1HB   LYS  24          1HB       LYS  24  13.367   3.779  -5.064
  184   2HB   LYS  24          2HB       LYS  24  13.455   2.107  -4.510
  185   1HG   LYS  24          1HG       LYS  24  14.065   1.310  -6.574
  186   2HG   LYS  24          2HG       LYS  24  13.112   2.518  -7.436
  187   1HD   LYS  24          1HD       LYS  24  15.556   3.332  -5.875
  188   2HD   LYS  24          2HD       LYS  24  15.708   2.706  -7.518
  189   1HE   LYS  24          1HE       LYS  24  13.699   4.510  -7.881
  190   2HE   LYS  24          2HE       LYS  24  14.625   5.306  -6.594
  191   1HZ   LYS  24          3HZ       LYS  24  15.878   4.112  -9.004
  192   2HZ   LYS  24          2HZ       LYS  24  15.453   5.753  -8.899
  193   3HZ   LYS  24          1HZ       LYS  24  16.614   5.104  -7.842
  194    H    ILE  25           H        ILE  25  11.189   0.631  -3.885
  195    HA   ILE  25           HA       ILE  25   9.630   2.274  -1.918
  196    HB   ILE  25           HB       ILE  25   9.764  -0.728  -2.378
  197   1HG1  ILE  25          1HG1      ILE  25   7.560   1.222  -3.122
  198   2HG1  ILE  25          2HG1      ILE  25   8.767   0.635  -4.265
  199   1HG2  ILE  25          2HG2      ILE  25   9.017   0.473  -0.095
  200   2HG2  ILE  25          1HG2      ILE  25   7.502   0.619  -0.987
  201   3HG2  ILE  25          3HG2      ILE  25   8.212  -0.971  -0.705
  202   1HD1  ILE  25          2HD1      ILE  25   8.064  -1.706  -3.736
  203   2HD1  ILE  25          1HD1      ILE  25   6.781  -1.054  -2.718
  204   3HD1  ILE  25          3HD1      ILE  25   6.770  -0.746  -4.454
  205    H    VAL  26           H        VAL  26  10.796   2.829  -0.079
  206    HA   VAL  26           HA       VAL  26  12.954   0.937   0.823
  207    HB   VAL  26           HB       VAL  26  14.095   2.957   1.665
  208   1HG1  VAL  26          3HG1      VAL  26  14.461   2.171  -0.673
  209   2HG1  VAL  26          2HG1      VAL  26  13.206   3.287  -1.215
  210   3HG1  VAL  26          1HG1      VAL  26  14.691   3.910  -0.497
  211   1HG2  VAL  26          1HG2      VAL  26  11.620   4.132   1.688
  212   2HG2  VAL  26          3HG2      VAL  26  13.136   5.028   1.758
  213   3HG2  VAL  26          2HG2      VAL  26  12.303   4.822   0.218
  214    H    LYS  27           H        LYS  27  13.369   1.048   3.228
  215    HA   LYS  27           HA       LYS  27  11.149   0.355   4.804
  216   1HB   LYS  27          1HB       LYS  27  13.592   0.143   5.389
  217   2HB   LYS  27          2HB       LYS  27  13.595   1.860   5.793
  218   1HG   LYS  27          1HG       LYS  27  11.522   1.192   7.291
  219   2HG   LYS  27          2HG       LYS  27  12.244  -0.415   7.203
  220   1HD   LYS  27          1HD       LYS  27  14.131   0.214   8.380
  221   2HD   LYS  27          2HD       LYS  27  14.038   1.890   7.838
  222   1HE   LYS  27          1HE       LYS  27  11.935   2.112   9.274
  223   2HE   LYS  27          2HE       LYS  27  12.371   0.544   9.983
  224   1HZ   LYS  27          1HZ       LYS  27  14.570   1.428  10.484
  225   2HZ   LYS  27          3HZ       LYS  27  14.136   2.933   9.835
  226   3HZ   LYS  27          2HZ       LYS  27  13.366   2.361  11.238
  227    H    GLY  28           H        GLY  28   9.626   1.485   6.109
  228   1HA   GLY  28          2HA       GLY  28   9.847   4.442   6.244
  229   2HA   GLY  28          1HA       GLY  28   8.770   3.448   7.219
  230    H    VAL  29           H        VAL  29   8.312   2.168   4.186
  231    HA   VAL  29           HA       VAL  29   6.119   4.115   3.595
  232    HB   VAL  29           HB       VAL  29   8.129   4.221   2.066
  233   1HG1  VAL  29          3HG1      VAL  29   8.104   1.471   2.199
  234   2HG1  VAL  29          2HG1      VAL  29   7.349   1.761   0.637
  235   3HG1  VAL  29          1HG1      VAL  29   8.953   2.408   0.974
  236   1HG2  VAL  29          3HG2      VAL  29   5.429   3.386   0.993
  237   2HG2  VAL  29          2HG2      VAL  29   6.073   5.019   1.168
  238   3HG2  VAL  29          1HG2      VAL  29   6.730   3.939  -0.064
  239    H    CYS  30           H        CYS  30   4.078   3.148   3.382
  240    HA   CYS  30           HA       CYS  30   3.883   0.237   3.850
  241   1HB   CYS  30          1HB       CYS  30   2.331   1.905   4.870
  242   2HB   CYS  30          2HB       CYS  30   1.745   2.321   3.260
  243    HG   CYS  30           HG       CYS  30   0.137   0.494   4.219
  244    H    ARG  31           H        ARG  31   3.352  -1.334   2.271
  245    HA   ARG  31           HA       ARG  31   3.015  -0.312  -0.542
  246   1HB   ARG  31          1HB       ARG  31   4.411  -2.820   0.450
  247   2HB   ARG  31          2HB       ARG  31   4.380  -2.234  -1.210
  248   1HG   ARG  31          1HG       ARG  31   6.094  -0.819  -0.833
  249   2HG   ARG  31          2HG       ARG  31   5.331  -0.175   0.617
  250   1HD   ARG  31          1HD       ARG  31   7.474  -1.237   1.208
  251   2HD   ARG  31          2HD       ARG  31   6.139  -2.186   1.885
  252    HE   ARG  31           HE       ARG  31   7.250  -2.932  -0.791
  253   1HH1  ARG  31          1HH1      ARG  31   5.191  -4.643   0.533
  254   2HH1  ARG  31          2HH1      ARG  31   6.158  -5.866   1.287
  255   1HH2  ARG  31          1HH2      ARG  31   9.107  -4.059   1.045
  256   2HH2  ARG  31          2HH2      ARG  31   8.373  -5.535   1.577
  257    H    ILE  32           H        ILE  32   1.393  -1.374  -1.808
  258    HA   ILE  32           HA       ILE  32  -0.351  -3.246  -0.281
  259    HB   ILE  32           HB       ILE  32  -0.882  -2.043  -3.016
  260   1HG1  ILE  32          1HG1      ILE  32  -1.663  -0.887  -0.310
  261   2HG1  ILE  32          2HG1      ILE  32  -0.379  -0.237  -1.327
  262   1HG2  ILE  32          3HG2      ILE  32  -2.244  -3.982  -2.057
  263   2HG2  ILE  32          2HG2      ILE  32  -2.816  -2.844  -0.837
  264   3HG2  ILE  32          1HG2      ILE  32  -3.157  -2.553  -2.543
  265   1HD1  ILE  32          2HD1      ILE  32  -3.140  -0.625  -2.456
  266   2HD1  ILE  32          1HD1      ILE  32  -2.772   0.806  -1.492
  267   3HD1  ILE  32          3HD1      ILE  32  -1.874   0.487  -2.975
  268    H    GLY  33           H        GLY  33  -0.310  -5.444  -0.742
  269   1HA   GLY  33          2HA       GLY  33   0.909  -7.308  -1.711
  270   2HA   GLY  33          1HA       GLY  33   1.285  -6.296  -3.107
  271    H    LYS  34           H        LYS  34   0.149  -6.972  -4.906
  272    HA   LYS  34           HA       LYS  34  -2.735  -7.692  -4.519
  273   1HB   LYS  34          1HB       LYS  34  -2.132  -5.792  -6.017
  274   2HB   LYS  34          2HB       LYS  34  -1.168  -6.892  -6.999
  275   1HG   LYS  34          1HG       LYS  34  -3.320  -8.297  -7.218
  276   2HG   LYS  34          2HG       LYS  34  -4.162  -6.866  -6.621
  277   1HD   LYS  34          1HD       LYS  34  -3.147  -5.531  -8.456
  278   2HD   LYS  34          2HD       LYS  34  -2.384  -6.997  -9.075
  279   1HE   LYS  34          1HE       LYS  34  -4.802  -7.981  -9.094
  280   2HE   LYS  34          2HE       LYS  34  -5.314  -6.283  -9.021
  281   1HZ   LYS  34          2HZ       LYS  34  -3.856  -5.806 -10.899
  282   2HZ   LYS  34          1HZ       LYS  34  -3.415  -7.445 -10.991
  283   3HZ   LYS  34          3HZ       LYS  34  -5.012  -6.979 -11.317
  284    H    VAL  35           H        VAL  35  -3.183  -9.906  -4.643
  285    HA   VAL  35           HA       VAL  35  -1.143 -11.661  -5.960
  286    HB   VAL  35           HB       VAL  35  -3.494 -12.289  -4.136
  287   1HG1  VAL  35          2HG1      VAL  35  -2.765 -14.150  -5.658
  288   2HG1  VAL  35          1HG1      VAL  35  -1.152 -14.031  -4.956
  289   3HG1  VAL  35          3HG1      VAL  35  -2.518 -14.505  -3.947
  290   1HG2  VAL  35          1HG2      VAL  35  -0.593 -11.676  -3.673
  291   2HG2  VAL  35          3HG2      VAL  35  -2.002 -11.183  -2.732
  292   3HG2  VAL  35          2HG2      VAL  35  -1.397 -12.836  -2.614
  293    H    VAL  36           H        VAL  36  -1.593 -12.149  -8.108
  294    HA   VAL  36           HA       VAL  36  -4.475 -12.509  -8.872
  295    HB   VAL  36           HB       VAL  36  -2.091 -11.516 -10.474
  296   1HG1  VAL  36          3HG1      VAL  36  -4.971 -12.069 -11.179
  297   2HG1  VAL  36          2HG1      VAL  36  -4.036 -10.869 -12.071
  298   3HG1  VAL  36          1HG1      VAL  36  -3.513 -12.553 -12.046
  299   1HG2  VAL  36          1HG2      VAL  36  -4.488 -10.125  -9.246
  300   2HG2  VAL  36          3HG2      VAL  36  -2.784  -9.817  -8.913
  301   3HG2  VAL  36          2HG2      VAL  36  -3.472  -9.379 -10.478
  302    HA   PRO  37           HA       PRO  37  -2.669 -16.609  -9.622
  303   1HB   PRO  37          1HB       PRO  37  -5.037 -17.936  -9.950
  304   2HB   PRO  37          2HB       PRO  37  -4.365 -17.543  -8.355
  305   1HG   PRO  37          1HG       PRO  37  -6.533 -16.198  -9.879
  306   2HG   PRO  37          2HG       PRO  37  -6.386 -16.487  -8.138
  307   1HD   PRO  37          1HD       PRO  37  -5.875 -14.080  -9.342
  308   2HD   PRO  37          2HD       PRO  37  -5.156 -14.595  -7.800
  309    H    ASN  38           H        ASN  38  -1.986 -17.306 -11.667
  310    HA   ASN  38           HA       ASN  38  -3.563 -16.359 -14.032
  311   1HB   ASN  38          1HB       ASN  38  -0.712 -17.361 -13.731
  312   2HB   ASN  38          2HB       ASN  38  -1.417 -16.746 -15.227
  313   1HD2  ASN  38          2HD2      ASN  38   0.779 -15.658 -13.206
  314   2HD2  ASN  38          1HD2      ASN  38   0.303 -14.042 -12.998
  315    HA   PRO  39           HA       PRO  39  -4.629 -20.742 -14.315
  316   1HB   PRO  39          1HB       PRO  39  -6.435 -20.510 -16.355
  317   2HB   PRO  39          2HB       PRO  39  -6.831 -20.125 -14.668
  318   1HG   PRO  39          1HG       PRO  39  -6.195 -18.304 -16.926
  319   2HG   PRO  39          2HG       PRO  39  -7.344 -18.099 -15.596
  320   1HD   PRO  39          1HD       PRO  39  -4.875 -16.903 -15.705
  321   2HD   PRO  39          2HD       PRO  39  -5.767 -17.228 -14.203
  322    H    PHE  40           H        PHE  40  -2.221 -20.688 -15.253
  323    HA   PHE  40           HA       PHE  40  -2.376 -21.659 -18.065
  324   1HB   PHE  40          1HB       PHE  40  -1.914 -19.232 -18.133
  325   2HB   PHE  40          2HB       PHE  40  -0.541 -19.459 -17.051
  326    HD1  PHE  40           HD1      PHE  40  -1.878 -20.256 -20.427
  327    HD2  PHE  40           HD2      PHE  40   1.561 -20.266 -17.854
  328    HE1  PHE  40           HE1      PHE  40  -0.426 -20.772 -22.370
  329    HE2  PHE  40           HE2      PHE  40   3.013 -20.782 -19.795
  330    HZ   PHE  40           HZ       PHE  40   2.021 -21.035 -22.055
  331    H    SER  41           H        SER  41   0.104 -20.870 -15.536
  332    HA   SER  41           HA       SER  41   1.309 -23.569 -16.050
  333   1HB   SER  41          1HB       SER  41   2.405 -20.961 -14.956
  334   2HB   SER  41          2HB       SER  41   3.330 -22.459 -14.997
  335    HG   SER  41           HG       SER  41   3.206 -22.456 -17.211
  336    H    GLU  42           H        GLU  42   2.077 -24.781 -14.115
  337    HA   GLU  42           HA       GLU  42   0.275 -24.338 -11.778
  338   1HB   GLU  42          1HB       GLU  42   0.811 -26.566 -13.117
  339   2HB   GLU  42          2HB       GLU  42   2.208 -26.623 -12.042
  340   1HG   GLU  42          1HG       GLU  42   0.408 -26.130 -10.175
  341   2HG   GLU  42          2HG       GLU  42  -0.708 -26.798 -11.366
  342    H    SER  43           H        SER  43   3.785 -24.551 -12.536
  343    HA   SER  43           HA       SER  43   4.797 -24.401  -9.869
  344   1HB   SER  43          1HB       SER  43   6.672 -23.035 -11.242
  345   2HB   SER  43          2HB       SER  43   6.475 -24.776 -11.415
  346    HG   SER  43           HG       SER  43   6.425 -23.942 -13.453
  347    H    GLY  44           H        GLY  44   3.757 -21.752 -12.071
  348   1HA   GLY  44          2HA       GLY  44   3.873 -19.393 -11.590
  349   2HA   GLY  44          1HA       GLY  44   4.300 -19.778  -9.920
  350    H    GLY  45           H        GLY  45   2.537 -20.533  -8.479
  351   1HA   GLY  45          2HA       GLY  45   0.348 -20.436  -7.652
  352   2HA   GLY  45          1HA       GLY  45  -0.185 -20.742  -9.305
  353    H    ASP  46           H        ASP  46   1.009 -18.079  -7.182
  354    HA   ASP  46           HA       ASP  46  -0.526 -16.164  -8.907
  355   1HB   ASP  46          1HB       ASP  46  -1.364 -15.158  -6.788
  356   2HB   ASP  46          2HB       ASP  46  -1.865 -16.840  -6.956
  357    H    MET  47           H        MET  47   0.334 -13.982  -8.905
  358    HA   MET  47           HA       MET  47   3.129 -13.797  -7.819
  359   1HB   MET  47          1HB       MET  47   2.259 -13.595 -10.376
  360   2HB   MET  47          2HB       MET  47   2.095 -11.910  -9.879
  361   1HG   MET  47          1HG       MET  47   4.466 -12.008  -9.032
  362   2HG   MET  47          2HG       MET  47   4.600 -13.609  -9.760
  363   1HE   MET  47          3HE       MET  47   6.272 -13.462 -11.343
  364   2HE   MET  47          2HE       MET  47   4.916 -14.085 -12.280
  365   3HE   MET  47          1HE       MET  47   5.988 -12.880 -12.990
  366    H    LYS  48           H        LYS  48   3.665 -11.977  -6.507
  367    HA   LYS  48           HA       LYS  48   1.376 -10.157  -5.822
  368   1HB   LYS  48          1HB       LYS  48   2.213 -11.899  -4.144
  369   2HB   LYS  48          2HB       LYS  48   3.705 -10.961  -4.065
  370   1HG   LYS  48          1HG       LYS  48   1.952  -8.959  -3.713
  371   2HG   LYS  48          2HG       LYS  48   0.983 -10.281  -3.060
  372   1HD   LYS  48          1HD       LYS  48   3.849 -10.022  -2.211
  373   2HD   LYS  48          2HD       LYS  48   2.640  -8.960  -1.487
  374   1HE   LYS  48          1HE       LYS  48   2.501 -10.768  -0.025
  375   2HE   LYS  48          2HE       LYS  48   1.312 -11.283  -1.239
  376   1HZ   LYS  48          3HZ       LYS  48   4.208 -11.903  -1.424
  377   2HZ   LYS  48          2HZ       LYS  48   3.075 -12.965  -0.736
  378   3HZ   LYS  48          1HZ       LYS  48   2.956 -12.536  -2.375
  379    H    GLU  49           H        GLU  49   1.776  -8.003  -6.366
  380    HA   GLU  49           HA       GLU  49   4.643  -7.175  -6.711
  381   1HB   GLU  49          1HB       GLU  49   2.036  -6.198  -7.924
  382   2HB   GLU  49          2HB       GLU  49   3.601  -5.438  -8.215
  383   1HG   GLU  49          1HG       GLU  49   3.302  -8.390  -8.666
  384   2HG   GLU  49          2HG       GLU  49   2.702  -7.268  -9.887
  385    H    TRP  50           H        TRP  50   5.312  -5.186  -5.680
  386    HA   TRP  50           HA       TRP  50   3.479  -4.286  -3.496
  387   1HB   TRP  50          1HB       TRP  50   6.444  -4.003  -4.050
  388   2HB   TRP  50          2HB       TRP  50   5.646  -3.169  -2.715
  389    HD1  TRP  50           HD1      TRP  50   7.652  -6.015  -3.111
  390    HE1  TRP  50           HE1      TRP  50   7.094  -7.903  -1.452
  391    HE3  TRP  50           HE3      TRP  50   3.013  -4.502  -1.568
  392    HZ2  TRP  50           HZ2      TRP  50   4.968  -8.673   0.298
  393    HZ3  TRP  50           HZ3      TRP  50   1.753  -5.832   0.096
  394    HH2  TRP  50           HH2      TRP  50   2.721  -7.914   1.029
  395    H    TYR  51           H        TYR  51   2.431  -2.317  -3.664
  396    HA   TYR  51           HA       TYR  51   3.356  -0.426  -5.803
  397   1HB   TYR  51          1HB       TYR  51   0.676  -0.948  -4.482
  398   2HB   TYR  51          2HB       TYR  51   0.963   0.387  -5.595
  399    HD1  TYR  51           HD1      TYR  51   1.191   0.030  -7.967
  400    HD2  TYR  51           HD2      TYR  51   0.844  -3.291  -5.264
  401    HE1  TYR  51           HE1      TYR  51   0.787  -1.490  -9.881
  402    HE2  TYR  51           HE2      TYR  51   0.448  -4.816  -7.174
  403    HH   TYR  51           HH       TYR  51   1.227  -4.365 -10.072
  404    H    HIS  52           H        HIS  52   2.721   1.953  -5.207
  405    HA   HIS  52           HA       HIS  52   3.795   2.537  -2.483
  406   1HB   HIS  52          1HB       HIS  52   3.426   3.940  -5.080
  407   2HB   HIS  52          2HB       HIS  52   3.316   4.956  -3.649
  408    HD2  HIS  52           HD2      HIS  52   5.747   3.857  -1.821
  409    HE1  HIS  52           HE1      HIS  52   8.199   4.073  -5.270
  410    HE2  HIS  52           HE2      HIS  52   8.161   3.913  -2.760
  411    H    ILE  53           H        ILE  53   2.471   4.795  -1.669
  412    HA   ILE  53           HA       ILE  53  -0.271   3.776  -1.153
  413    HB   ILE  53           HB       ILE  53   1.306   6.166  -0.128
  414   1HG1  ILE  53          1HG1      ILE  53   2.138   3.933   0.566
  415   2HG1  ILE  53          2HG1      ILE  53   1.473   4.828   1.931
  416   1HG2  ILE  53          1HG2      ILE  53  -1.478   5.877  -0.106
  417   2HG2  ILE  53          3HG2      ILE  53  -0.982   5.319   1.489
  418   3HG2  ILE  53          2HG2      ILE  53  -0.529   6.928   0.944
  419   1HD1  ILE  53          1HD1      ILE  53  -0.716   3.433   0.842
  420   2HD1  ILE  53          3HD1      ILE  53   0.620   2.279   0.829
  421   3HD1  ILE  53          2HD1      ILE  53   0.137   3.055   2.338
  422    H    LYS  54           H        LYS  54   1.297   6.567  -2.795
  423    HA   LYS  54           HA       LYS  54  -1.359   7.611  -3.602
  424   1HB   LYS  54          1HB       LYS  54   1.025   8.797  -3.033
  425   2HB   LYS  54          2HB       LYS  54   1.134   8.705  -4.791
  426   1HG   LYS  54          1HG       LYS  54  -0.642  10.140  -5.116
  427   2HG   LYS  54          2HG       LYS  54  -1.440   9.660  -3.618
  428   1HD   LYS  54          1HD       LYS  54   0.752  10.779  -2.556
  429   2HD   LYS  54          2HD       LYS  54   0.694  11.696  -4.062
  430   1HE   LYS  54          1HE       LYS  54  -0.698  13.024  -2.753
  431   2HE   LYS  54          2HE       LYS  54  -1.905  11.883  -3.379
  432   1HZ   LYS  54          2HZ       LYS  54  -1.442  10.447  -1.460
  433   2HZ   LYS  54          1HZ       LYS  54  -0.388  11.623  -0.835
  434   3HZ   LYS  54          3HZ       LYS  54  -2.044  11.962  -0.983
  435    H    CYS  55           H        CYS  55   1.294   5.730  -5.050
  436    HA   CYS  55           HA       CYS  55   0.499   6.081  -7.805
  437   1HB   CYS  55          1HB       CYS  55   1.898   3.761  -6.428
  438   2HB   CYS  55          2HB       CYS  55   1.853   4.017  -8.170
  439    H    MET  56           H        MET  56  -0.214   3.394  -5.518
  440    HA   MET  56           HA       MET  56  -1.994   2.025  -7.342
  441   1HB   MET  56          1HB       MET  56  -0.853   1.099  -5.257
  442   2HB   MET  56          2HB       MET  56  -2.077   1.947  -4.312
  443   1HG   MET  56          1HG       MET  56  -2.843  -0.323  -4.635
  444   2HG   MET  56          2HG       MET  56  -3.837   0.726  -5.644
  445   1HE   MET  56          3HE       MET  56  -4.599   0.024  -7.461
  446   2HE   MET  56          2HE       MET  56  -3.446   0.878  -8.486
  447   3HE   MET  56          1HE       MET  56  -3.836  -0.806  -8.824
  448    H    PHE  57           H        PHE  57  -2.599   4.452  -4.770
  449    HA   PHE  57           HA       PHE  57  -5.501   4.329  -5.115
  450   1HB   PHE  57          1HB       PHE  57  -3.533   6.001  -3.617
  451   2HB   PHE  57          2HB       PHE  57  -5.109   6.725  -3.932
  452    HD1  PHE  57           HD1      PHE  57  -3.279   4.331  -1.935
  453    HD2  PHE  57           HD2      PHE  57  -7.209   5.432  -3.253
  454    HE1  PHE  57           HE1      PHE  57  -4.248   3.011  -0.095
  455    HE2  PHE  57           HE2      PHE  57  -8.192   4.096  -1.413
  456    HZ   PHE  57           HZ       PHE  57  -6.715   2.884   0.166
  457    H    GLU  58           H        GLU  58  -2.878   6.214  -6.631
  458    HA   GLU  58           HA       GLU  58  -4.610   8.177  -7.887
  459   1HB   GLU  58          1HB       GLU  58  -2.148   8.434  -7.622
  460   2HB   GLU  58          2HB       GLU  58  -1.900   7.107  -8.757
  461   1HG   GLU  58          1HG       GLU  58  -3.535   8.666 -10.243
  462   2HG   GLU  58          2HG       GLU  58  -2.750   9.909  -9.270
  463    H    LYS  59           H        LYS  59  -3.469   4.921  -8.865
  464    HA   LYS  59           HA       LYS  59  -4.414   4.986 -11.578
  465   1HB   LYS  59          1HB       LYS  59  -3.005   3.214 -10.247
  466   2HB   LYS  59          2HB       LYS  59  -4.576   2.521  -9.844
  467   1HG   LYS  59          1HG       LYS  59  -4.110   3.210 -12.703
  468   2HG   LYS  59          2HG       LYS  59  -3.225   1.825 -12.064
  469   1HD   LYS  59          1HD       LYS  59  -6.118   2.001 -11.379
  470   2HD   LYS  59          2HD       LYS  59  -5.715   1.595 -13.048
  471   1HE   LYS  59          1HE       LYS  59  -4.904  -0.468 -12.477
  472   2HE   LYS  59          2HE       LYS  59  -4.152   0.138 -10.987
  473   1HZ   LYS  59          3HZ       LYS  59  -7.088  -0.084 -11.357
  474   2HZ   LYS  59          2HZ       LYS  59  -6.152  -1.305 -10.637
  475   3HZ   LYS  59          1HZ       LYS  59  -6.250   0.231  -9.917
  476    H    LEU  60           H        LEU  60  -6.119   4.161  -8.533
  477    HA   LEU  60           HA       LEU  60  -8.592   3.290  -9.705
  478   1HB   LEU  60          1HB       LEU  60  -7.702   4.424  -7.078
  479   2HB   LEU  60          2HB       LEU  60  -9.436   4.413  -7.402
  480    HG   LEU  60           HG       LEU  60  -9.264   1.977  -7.961
  481   1HD1  LEU  60          2HD1      LEU  60  -6.850   2.003  -8.551
  482   2HD1  LEU  60          1HD1      LEU  60  -6.456   2.295  -6.857
  483   3HD1  LEU  60          3HD1      LEU  60  -7.215   0.778  -7.336
  484   1HD2  LEU  60          3HD2      LEU  60  -8.588   3.109  -5.270
  485   2HD2  LEU  60          2HD2      LEU  60 -10.042   2.258  -5.791
  486   3HD2  LEU  60          1HD2      LEU  60  -8.559   1.358  -5.476
  487    H    GLU  61           H        GLU  61  -7.484   6.588  -8.783
  488    HA   GLU  61           HA       GLU  61  -9.884   7.997  -9.475
  489   1HB   GLU  61          1HB       GLU  61  -6.967   8.640  -9.273
  490   2HB   GLU  61          2HB       GLU  61  -7.999   9.813 -10.091
  491   1HG   GLU  61          1HG       GLU  61  -9.531   9.295  -7.918
  492   2HG   GLU  61          2HG       GLU  61  -7.930   9.027  -7.229
  493    H    ARG  62           H        ARG  62  -7.208   6.791 -11.516
  494    HA   ARG  62           HA       ARG  62  -8.588   7.877 -13.939
  495   1HB   ARG  62          1HB       ARG  62  -6.124   8.299 -13.411
  496   2HB   ARG  62          2HB       ARG  62  -5.856   6.578 -13.698
  497   1HG   ARG  62          1HG       ARG  62  -7.267   7.209 -15.929
  498   2HG   ARG  62          2HG       ARG  62  -6.465   8.751 -15.631
  499   1HD   ARG  62          1HD       ARG  62  -4.823   6.243 -15.469
  500   2HD   ARG  62          2HD       ARG  62  -5.238   6.895 -17.067
  501    HE   ARG  62           HE       ARG  62  -4.236   9.065 -16.315
  502   1HH1  ARG  62          1HH1      ARG  62  -4.070   8.586 -13.399
  503   2HH1  ARG  62          2HH1      ARG  62  -2.413   8.132 -13.177
  504   1HH2  ARG  62          1HH2      ARG  62  -1.879   7.441 -16.533
  505   2HH2  ARG  62          2HH2      ARG  62  -1.173   7.483 -14.952
  506    H    ALA  63           H        ALA  63  -9.550   5.416 -12.407
  507    HA   ALA  63           HA       ALA  63  -8.928   3.261 -14.388
  508   1HB   ALA  63          2HB       ALA  63  -9.303   1.802 -12.643
  509   2HB   ALA  63          1HB       ALA  63  -8.936   3.232 -11.679
  510   3HB   ALA  63          3HB       ALA  63 -10.613   2.777 -11.980
  511    H    ARG  64           H        ARG  64 -10.945   1.838 -14.941
  512    HA   ARG  64           HA       ARG  64 -12.929   3.445 -16.256
  513   1HB   ARG  64          1HB       ARG  64 -12.677   0.539 -15.497
  514   2HB   ARG  64          2HB       ARG  64 -14.182   1.124 -16.207
  515   1HG   ARG  64          1HG       ARG  64 -11.608   1.884 -17.528
  516   2HG   ARG  64          2HG       ARG  64 -12.205   0.239 -17.747
  517   1HD   ARG  64          1HD       ARG  64 -14.236   2.382 -18.080
  518   2HD   ARG  64          2HD       ARG  64 -12.986   2.294 -19.337
  519    HE   ARG  64           HE       ARG  64 -13.563  -0.166 -19.522
  520   1HH1  ARG  64          1HH1      ARG  64 -15.782   1.184 -20.807
  521   2HH1  ARG  64          2HH1      ARG  64 -17.172   0.627 -19.937
  522   1HH2  ARG  64          1HH2      ARG  64 -15.345  -0.510 -17.218
  523   2HH2  ARG  64          2HH2      ARG  64 -16.925  -0.332 -17.906
  524    H    ALA  65           H        ALA  65 -15.239   3.707 -15.726
  525    HA   ALA  65           HA       ALA  65 -15.735   4.432 -12.975
  526   1HB   ALA  65          2HB       ALA  65 -17.441   4.045 -15.433
  527   2HB   ALA  65          1HB       ALA  65 -18.188   4.427 -13.881
  528   3HB   ALA  65          3HB       ALA  65 -17.030   5.545 -14.602
  529    H    THR  66           H        THR  66 -16.440   1.422 -14.795
  530    HA   THR  66           HA       THR  66 -17.858   0.321 -12.407
  531    HB   THR  66           HB       THR  66 -18.335  -1.560 -14.017
  532    HG1  THR  66           HG1      THR  66 -17.647  -1.347 -16.103
  533   1HG2  THR  66          2HG2      THR  66 -19.688   0.646 -13.770
  534   2HG2  THR  66          1HG2      THR  66 -18.992   1.066 -15.335
  535   3HG2  THR  66          3HG2      THR  66 -20.001  -0.372 -15.175
  536    H    THR  67           H        THR  67 -15.314   0.641 -11.579
  537    HA   THR  67           HA       THR  67 -13.960  -2.002 -12.031
  538    HB   THR  67           HB       THR  67 -12.688   0.526 -10.978
  539    HG1  THR  67           HG1      THR  67 -12.389   1.212 -13.015
  540   1HG2  THR  67          3HG2      THR  67 -11.686  -1.900 -12.489
  541   2HG2  THR  67          2HG2      THR  67 -10.692  -0.500 -12.087
  542   3HG2  THR  67          1HG2      THR  67 -11.365  -1.503 -10.802
  543    H    LYS  68           H        LYS  68 -12.941  -2.970 -10.068
  544    HA   LYS  68           HA       LYS  68 -14.006  -1.899  -7.480
  545   1HB   LYS  68          1HB       LYS  68 -15.151  -3.959  -8.803
  546   2HB   LYS  68          2HB       LYS  68 -13.907  -4.844  -7.921
  547   1HG   LYS  68          1HG       LYS  68 -14.765  -3.387  -5.884
  548   2HG   LYS  68          2HG       LYS  68 -16.231  -3.281  -6.859
  549   1HD   LYS  68          1HD       LYS  68 -15.977  -5.865  -7.095
  550   2HD   LYS  68          2HD       LYS  68 -14.921  -5.725  -5.690
  551   1HE   LYS  68          1HE       LYS  68 -16.898  -4.324  -4.669
  552   2HE   LYS  68          2HE       LYS  68 -17.871  -5.161  -5.895
  553   1HZ   LYS  68          3HZ       LYS  68 -16.834  -7.262  -5.138
  554   2HZ   LYS  68          2HZ       LYS  68 -16.102  -6.412  -3.860
  555   3HZ   LYS  68          1HZ       LYS  68 -17.795  -6.528  -3.948
  556    H    LYS  69           H        LYS  69 -11.936  -1.251  -6.665
  557    HA   LYS  69           HA       LYS  69 -10.004  -3.487  -6.209
  558   1HB   LYS  69          1HB       LYS  69  -9.696  -1.638  -8.189
  559   2HB   LYS  69          2HB       LYS  69  -8.890  -0.815  -6.854
  560   1HG   LYS  69          1HG       LYS  69  -7.192  -2.347  -6.750
  561   2HG   LYS  69          2HG       LYS  69  -8.244  -3.695  -7.189
  562   1HD   LYS  69          1HD       LYS  69  -7.781  -1.637  -9.286
  563   2HD   LYS  69          2HD       LYS  69  -6.413  -2.677  -8.886
  564   1HE   LYS  69          1HE       LYS  69  -7.407  -4.539  -9.782
  565   2HE   LYS  69          2HE       LYS  69  -9.022  -4.064  -9.221
  566   1HZ   LYS  69          3HZ       LYS  69  -9.050  -2.317 -10.895
  567   2HZ   LYS  69          2HZ       LYS  69  -7.515  -2.791 -11.447
  568   3HZ   LYS  69          1HZ       LYS  69  -8.844  -3.834 -11.626
  569    H    ILE  70           H        ILE  70 -10.070  -3.581  -3.937
  570    HA   ILE  70           HA       ILE  70  -9.913  -2.865  -1.700
  571    HB   ILE  70           HB       ILE  70  -8.381  -0.643  -3.098
  572   1HG1  ILE  70          1HG1      ILE  70  -7.406  -3.253  -1.890
  573   2HG1  ILE  70          2HG1      ILE  70  -7.627  -2.976  -3.618
  574   1HG2  ILE  70          1HG2      ILE  70  -8.296  -1.646  -0.233
  575   2HG2  ILE  70          3HG2      ILE  70  -7.194  -0.454  -0.924
  576   3HG2  ILE  70          2HG2      ILE  70  -8.910  -0.080  -0.764
  577   1HD1  ILE  70          3HD1      ILE  70  -6.000  -0.961  -2.156
  578   2HD1  ILE  70          2HD1      ILE  70  -5.273  -2.554  -2.367
  579   3HD1  ILE  70          1HD1      ILE  70  -5.782  -1.623  -3.776
  580    H    GLU  71           H        GLU  71 -12.076  -2.305  -1.122
  581    HA   GLU  71           HA       GLU  71 -12.895   0.534  -1.654
  582   1HB   GLU  71          1HB       GLU  71 -14.289  -1.295  -2.624
  583   2HB   GLU  71          2HB       GLU  71 -14.547  -1.932  -0.999
  584   1HG   GLU  71          1HG       GLU  71 -16.458  -0.606  -1.362
  585   2HG   GLU  71          2HG       GLU  71 -15.398   0.460  -0.438
  586    H    ASP  72           H        ASP  72 -13.226   1.860   0.174
  587    HA   ASP  72           HA       ASP  72 -13.202   2.495   2.447
  588   1HB   ASP  72          1HB       ASP  72 -15.197   0.679   1.987
  589   2HB   ASP  72          2HB       ASP  72 -14.312  -0.123   3.286
  590    H    LEU  73           H        LEU  73 -12.775   1.033   4.823
  591    HA   LEU  73           HA       LEU  73 -10.040  -0.111   4.343
  592   1HB   LEU  73          1HB       LEU  73 -10.744   2.100   5.743
  593   2HB   LEU  73          2HB       LEU  73 -10.882   0.888   7.016
  594    HG   LEU  73           HG       LEU  73  -8.489   0.222   5.740
  595   1HD1  LEU  73          1HD1      LEU  73  -9.027   3.142   5.560
  596   2HD1  LEU  73          3HD1      LEU  73  -7.423   2.668   6.122
  597   3HD1  LEU  73          2HD1      LEU  73  -8.004   2.120   4.550
  598   1HD2  LEU  73          3HD2      LEU  73  -9.318   0.623   8.270
  599   2HD2  LEU  73          2HD2      LEU  73  -7.609   0.527   7.845
  600   3HD2  LEU  73          1HD2      LEU  73  -8.379   2.100   8.054
  601    H    THR  74           H        THR  74  -9.486  -1.518   6.546
  602    HA   THR  74           HA       THR  74  -9.852  -3.630   7.517
  603    HB   THR  74           HB       THR  74 -12.386  -3.529   8.498
  604    HG1  THR  74           HG1      THR  74 -13.033  -1.451   8.681
  605   1HG2  THR  74          1HG2      THR  74  -9.758  -2.443   9.327
  606   2HG2  THR  74          3HG2      THR  74 -11.152  -1.830  10.214
  607   3HG2  THR  74          2HG2      THR  74 -10.830  -3.563  10.167
  608    H    GLU  75           H        GLU  75 -10.384  -3.605   4.623
  609    HA   GLU  75           HA       GLU  75 -12.687  -5.523   4.447
  610   1HB   GLU  75          1HB       GLU  75 -11.475  -3.442   2.671
  611   2HB   GLU  75          2HB       GLU  75 -12.206  -4.850   1.898
  612   1HG   GLU  75          1HG       GLU  75 -13.656  -3.275   4.029
  613   2HG   GLU  75          2HG       GLU  75 -13.752  -2.841   2.321
  614    H    LEU  76           H        LEU  76  -9.513  -4.930   2.790
  615    HA   LEU  76           HA       LEU  76  -8.870  -7.823   3.147
  616   1HB   LEU  76          1HB       LEU  76  -8.318  -7.949   0.716
  617   2HB   LEU  76          2HB       LEU  76 -10.023  -7.591   0.978
  618    HG   LEU  76           HG       LEU  76  -8.116  -5.290   0.684
  619   1HD1  LEU  76          3HD1      LEU  76  -7.926  -7.198  -1.201
  620   2HD1  LEU  76          2HD1      LEU  76  -9.356  -6.364  -1.802
  621   3HD1  LEU  76          1HD1      LEU  76  -7.847  -5.480  -1.589
  622   1HD2  LEU  76          2HD2      LEU  76 -10.986  -5.790   0.642
  623   2HD2  LEU  76          1HD2      LEU  76 -10.112  -4.270   0.829
  624   3HD2  LEU  76          3HD2      LEU  76 -10.461  -4.892  -0.781
  625    H    GLU  77           H        GLU  77  -7.516  -6.164   4.728
  626    HA   GLU  77           HA       GLU  77  -4.886  -5.919   3.371
  627   1HB   GLU  77          1HB       GLU  77  -4.649  -3.616   4.157
  628   2HB   GLU  77          2HB       GLU  77  -6.076  -3.770   3.144
  629   1HG   GLU  77          1HG       GLU  77  -7.385  -4.113   5.334
  630   2HG   GLU  77          2HG       GLU  77  -5.936  -3.531   6.153
  631    H    GLY  78           H        GLY  78  -3.127  -6.353   4.784
  632   1HA   GLY  78          2HA       GLY  78  -2.143  -7.289   6.715
  633   2HA   GLY  78          1HA       GLY  78  -3.768  -7.544   7.360
  634    H    TRP  79           H        TRP  79  -4.898  -5.401   8.061
  635    HA   TRP  79           HA       TRP  79  -3.018  -3.269   8.892
  636   1HB   TRP  79          1HB       TRP  79  -5.045  -2.011   9.418
  637   2HB   TRP  79          2HB       TRP  79  -5.191  -2.729   7.820
  638    HD1  TRP  79           HD1      TRP  79  -7.038  -4.548   7.446
  639    HE1  TRP  79           HE1      TRP  79  -9.023  -5.363   8.872
  640    HE3  TRP  79           HE3      TRP  79  -5.816  -2.455  11.945
  641    HZ2  TRP  79           HZ2      TRP  79  -9.973  -5.151  11.555
  642    HZ3  TRP  79           HZ3      TRP  79  -7.285  -2.775  13.915
  643    HH2  TRP  79           HH2      TRP  79  -9.360  -4.119  13.722
  644    H    GLU  80           H        GLU  80  -4.713  -5.989  10.397
  645    HA   GLU  80           HA       GLU  80  -4.875  -5.156  13.095
  646   1HB   GLU  80          1HB       GLU  80  -5.636  -7.347  12.178
  647   2HB   GLU  80          2HB       GLU  80  -3.952  -7.858  12.049
  648   1HG   GLU  80          1HG       GLU  80  -4.896  -6.832  14.693
  649   2HG   GLU  80          2HG       GLU  80  -5.417  -8.445  14.200
  650    H    GLU  81           H        GLU  81  -1.942  -6.071  11.253
  651    HA   GLU  81           HA       GLU  81  -0.248  -6.033  13.678
  652   1HB   GLU  81          1HB       GLU  81   0.010  -7.413  11.461
  653   2HB   GLU  81          2HB       GLU  81   0.747  -5.939  10.830
  654   1HG   GLU  81          1HG       GLU  81   2.325  -5.954  12.772
  655   2HG   GLU  81          2HG       GLU  81   1.645  -7.505  13.267
  656    H    LEU  82           H        LEU  82  -0.900  -3.878  10.880
  657    HA   LEU  82           HA       LEU  82   1.090  -1.908  11.267
  658   1HB   LEU  82          1HB       LEU  82  -1.414  -2.148   9.868
  659   2HB   LEU  82          2HB       LEU  82  -1.402  -0.587  10.681
  660    HG   LEU  82           HG       LEU  82   1.082  -0.522   9.714
  661   1HD1  LEU  82          2HD1      LEU  82  -0.449  -2.271   7.765
  662   2HD1  LEU  82          1HD1      LEU  82   1.121  -1.530   7.451
  663   3HD1  LEU  82          3HD1      LEU  82   0.961  -2.760   8.705
  664   1HD2  LEU  82          3HD2      LEU  82  -0.764   1.095   9.275
  665   2HD2  LEU  82          2HD2      LEU  82   0.194   0.774   7.829
  666   3HD2  LEU  82          1HD2      LEU  82  -1.385   0.014   8.027
  667    H    GLU  83           H        GLU  83   0.420   0.489  12.107
  668    HA   GLU  83           HA       GLU  83  -0.509   0.104  14.934
  669   1HB   GLU  83          1HB       GLU  83   1.436   1.863  13.500
  670   2HB   GLU  83          2HB       GLU  83   0.652   2.524  14.935
  671   1HG   GLU  83          1HG       GLU  83   1.389   0.591  16.256
  672   2HG   GLU  83          2HG       GLU  83   2.136  -0.118  14.824
  673    H    ASP  84           H        ASP  84  -1.873   1.886  15.868
  674    HA   ASP  84           HA       ASP  84  -4.151   2.524  14.264
  675   1HB   ASP  84          1HB       ASP  84  -3.697   2.578  16.870
  676   2HB   ASP  84          2HB       ASP  84  -3.319   4.273  16.561
  677    H    ASN  85           H        ASN  85  -1.237   4.483  14.976
  678    HA   ASN  85           HA       ASN  85  -2.184   6.880  13.653
  679   1HB   ASN  85          1HB       ASN  85   0.563   5.791  14.327
  680   2HB   ASN  85          2HB       ASN  85   0.344   7.366  13.563
  681   1HD2  ASN  85          2HD2      ASN  85  -0.660   9.099  14.858
  682   2HD2  ASN  85          1HD2      ASN  85  -0.866   8.928  16.535
  683    H    GLU  86           H        GLU  86  -0.240   4.102  12.499
  684    HA   GLU  86           HA       GLU  86   0.151   5.142   9.820
  685   1HB   GLU  86          1HB       GLU  86   0.206   2.372  11.045
  686   2HB   GLU  86          2HB       GLU  86   0.551   2.640   9.336
  687   1HG   GLU  86          1HG       GLU  86   2.542   3.720   9.764
  688   2HG   GLU  86          2HG       GLU  86   1.983   4.362  11.308
  689    H    LYS  87           H        LYS  87  -2.377   3.073  11.289
  690    HA   LYS  87           HA       LYS  87  -3.799   2.463   8.867
  691   1HB   LYS  87          1HB       LYS  87  -4.162   1.382  11.093
  692   2HB   LYS  87          2HB       LYS  87  -4.897   2.877  11.671
  693   1HG   LYS  87          1HG       LYS  87  -6.708   2.696  10.110
  694   2HG   LYS  87          2HG       LYS  87  -5.905   1.392   9.233
  695   1HD   LYS  87          1HD       LYS  87  -7.511   0.291  10.584
  696   2HD   LYS  87          2HD       LYS  87  -5.992   0.088  11.456
  697   1HE   LYS  87          1HE       LYS  87  -7.235   0.894  13.221
  698   2HE   LYS  87          2HE       LYS  87  -6.845   2.466  12.495
  699   1HZ   LYS  87          1HZ       LYS  87  -9.204   0.805  11.784
  700   2HZ   LYS  87          3HZ       LYS  87  -9.252   2.162  12.799
  701   3HZ   LYS  87          2HZ       LYS  87  -8.832   2.342  11.162
  702    H    GLU  88           H        GLU  88  -4.022   5.268  11.089
  703    HA   GLU  88           HA       GLU  88  -6.322   6.518   9.924
  704   1HB   GLU  88          1HB       GLU  88  -4.777   7.083  12.021
  705   2HB   GLU  88          2HB       GLU  88  -3.992   8.163  10.866
  706   1HG   GLU  88          1HG       GLU  88  -6.102   9.278  10.397
  707   2HG   GLU  88          2HG       GLU  88  -6.973   8.131  11.414
  708    H    GLN  89           H        GLN  89  -2.861   6.689   8.971
  709    HA   GLN  89           HA       GLN  89  -3.192   8.713   6.942
  710   1HB   GLN  89          1HB       GLN  89  -1.179   6.602   7.619
  711   2HB   GLN  89          2HB       GLN  89  -1.083   7.330   6.014
  712   1HG   GLN  89          1HG       GLN  89  -0.561   9.424   6.840
  713   2HG   GLN  89          2HG       GLN  89  -1.415   9.154   8.359
  714   1HE2  GLN  89          1HE2      GLN  89   1.664   9.656   7.328
  715   2HE2  GLN  89          2HE2      GLN  89   2.509   8.668   8.418
  716    H    ILE  90           H        ILE  90  -3.476   5.146   6.801
  717    HA   ILE  90           HA       ILE  90  -3.852   5.012   3.923
  718    HB   ILE  90           HB       ILE  90  -4.807   3.156   6.141
  719   1HG1  ILE  90          1HG1      ILE  90  -2.432   2.508   4.478
  720   2HG1  ILE  90          2HG1      ILE  90  -2.223   3.842   5.611
  721   1HG2  ILE  90          3HG2      ILE  90  -5.869   2.862   3.855
  722   2HG2  ILE  90          2HG2      ILE  90  -4.257   2.513   3.232
  723   3HG2  ILE  90          1HG2      ILE  90  -4.981   1.457   4.444
  724   1HD1  ILE  90          2HD1      ILE  90  -3.591   1.436   6.685
  725   2HD1  ILE  90          1HD1      ILE  90  -1.879   1.247   6.307
  726   3HD1  ILE  90          3HD1      ILE  90  -2.398   2.489   7.446
  727    H    THR  91           H        THR  91  -6.150   5.290   6.678
  728    HA   THR  91           HA       THR  91  -8.565   5.101   5.132
  729    HB   THR  91           HB       THR  91  -9.543   6.399   7.086
  730    HG1  THR  91           HG1      THR  91  -7.907   7.687   7.708
  731   1HG2  THR  91          2HG2      THR  91  -7.733   4.025   7.557
  732   2HG2  THR  91          1HG2      THR  91  -8.811   4.656   8.802
  733   3HG2  THR  91          3HG2      THR  91  -9.477   4.024   7.297
  734    H    GLN  92           H        GLN  92  -6.462   7.907   5.869
  735    HA   GLN  92           HA       GLN  92  -8.140   9.973   4.818
  736   1HB   GLN  92          1HB       GLN  92  -5.769   9.978   6.015
  737   2HB   GLN  92          2HB       GLN  92  -5.167   9.998   4.357
  738   1HG   GLN  92          1HG       GLN  92  -6.202  12.062   3.876
  739   2HG   GLN  92          2HG       GLN  92  -7.301  11.932   5.249
  740   1HE2  GLN  92          1HE2      GLN  92  -6.478  12.537   7.389
  741   2HE2  GLN  92          2HE2      GLN  92  -4.971  13.297   7.572
  742    H    HIS  93           H        HIS  93  -5.844   7.781   3.133
  743    HA   HIS  93           HA       HIS  93  -6.019   8.990   0.533
  744   1HB   HIS  93          1HB       HIS  93  -5.245   6.344   1.670
  745   2HB   HIS  93          2HB       HIS  93  -5.680   6.343  -0.038
  746    HD1  HIS  93           HD1      HIS  93  -3.931   7.148  -1.641
  747    HD2  HIS  93           HD2      HIS  93  -3.095   8.306   2.270
  748    HE1  HIS  93           HE1      HIS  93  -1.631   8.207  -1.684
  749    H    ILE  94           H        ILE  94  -7.904   6.198   1.854
  750    HA   ILE  94           HA       ILE  94  -9.676   6.016  -0.417
  751    HB   ILE  94           HB       ILE  94 -10.053   5.226   2.496
  752   1HG1  ILE  94          1HG1      ILE  94  -9.548   3.209   0.381
  753   2HG1  ILE  94          2HG1      ILE  94  -8.202   4.297   0.711
  754   1HG2  ILE  94          2HG2      ILE  94 -11.606   4.491  -0.002
  755   2HG2  ILE  94          1HG2      ILE  94 -11.717   3.589   1.509
  756   3HG2  ILE  94          3HG2      ILE  94 -12.230   5.276   1.449
  757   1HD1  ILE  94          3HD1      ILE  94  -9.687   2.881   2.925
  758   2HD1  ILE  94          2HD1      ILE  94  -8.301   2.155   2.107
  759   3HD1  ILE  94          1HD1      ILE  94  -8.108   3.665   2.996
  760    H    ALA  95           H        ALA  95  -9.889   7.879   2.635
  761    HA   ALA  95           HA       ALA  95 -12.557   8.906   2.156
  762   1HB   ALA  95          2HB       ALA  95 -10.432  10.455   3.630
  763   2HB   ALA  95          1HB       ALA  95 -12.137  10.258   4.038
  764   3HB   ALA  95          3HB       ALA  95 -11.008   8.927   4.296
  765    H    ASP  96           H        ASP  96  -9.290  10.134   1.325
  766    HA   ASP  96           HA       ASP  96 -10.291  12.590   0.090
  767   1HB   ASP  96          1HB       ASP  96  -7.933  12.150   0.947
  768   2HB   ASP  96          2HB       ASP  96  -7.688  11.117  -0.462
  769    H    LEU  97           H        LEU  97  -9.332   9.353  -1.142
  770    HA   LEU  97           HA       LEU  97  -9.765   9.905  -3.939
  771   1HB   LEU  97          1HB       LEU  97  -8.747   7.836  -2.580
  772   2HB   LEU  97          2HB       LEU  97 -10.384   7.211  -2.774
  773    HG   LEU  97           HG       LEU  97 -10.037   7.961  -5.285
  774   1HD1  LEU  97          2HD1      LEU  97  -7.224   7.624  -4.211
  775   2HD1  LEU  97          1HD1      LEU  97  -7.626   7.539  -5.926
  776   3HD1  LEU  97          3HD1      LEU  97  -7.891   9.035  -5.031
  777   1HD2  LEU  97          1HD2      LEU  97  -9.123   5.508  -3.826
  778   2HD2  LEU  97          3HD2      LEU  97 -10.429   5.690  -4.997
  779   3HD2  LEU  97          2HD2      LEU  97  -8.754   5.644  -5.545
  780    H    SER  98           H        SER  98 -12.024   8.941  -1.322
  781    HA   SER  98           HA       SER  98 -14.262   8.797  -3.295
  782   1HB   SER  98          1HB       SER  98 -14.126   7.004  -1.671
  783   2HB   SER  98          2HB       SER  98 -13.974   8.150  -0.340
  784    HG   SER  98           HG       SER  98 -16.089   7.617  -0.366
  785    H    SER  99           H        SER  99 -13.366  11.414  -3.190
  786    HA   SER  99           HA       SER  99 -15.482  12.762  -1.549
  787   1HB   SER  99          1HB       SER  99 -13.440  13.125  -0.381
  788   2HB   SER  99          2HB       SER  99 -12.534  13.347  -1.873
  789    HG   SER  99           HG       SER  99 -12.952  15.351  -0.949
  790    H    LYS 100           H        LYS 100 -16.876  13.720  -3.047
  791    HA   LYS 100           HA       LYS 100 -15.656  14.834  -5.553
  792   1HB   LYS 100          1HB       LYS 100 -17.685  12.934  -5.115
  793   2HB   LYS 100          2HB       LYS 100 -18.545  14.405  -5.568
  794   1HG   LYS 100          1HG       LYS 100 -18.095  13.759  -7.700
  795   2HG   LYS 100          2HG       LYS 100 -16.486  14.407  -7.382
  796   1HD   LYS 100          1HD       LYS 100 -17.129  11.575  -6.605
  797   2HD   LYS 100          2HD       LYS 100 -16.727  11.953  -8.280
  798   1HE   LYS 100          1HE       LYS 100 -14.934  13.079  -6.168
  799   2HE   LYS 100          2HE       LYS 100 -14.813  11.342  -6.511
  800   1HZ   LYS 100          2HZ       LYS 100 -14.763  13.503  -8.553
  801   2HZ   LYS 100          1HZ       LYS 100 -13.402  12.645  -8.006
  802   3HZ   LYS 100          3HZ       LYS 100 -14.626  11.838  -8.860
  803    H    ALA 101           H        ALA 101 -18.675  15.352  -3.614
  804    HA   ALA 101           HA       ALA 101 -18.203  18.302  -3.916
  805   1HB   ALA 101          1HB       ALA 101 -20.140  17.679  -5.138
  806   2HB   ALA 101          3HB       ALA 101 -20.661  16.545  -3.892
  807   3HB   ALA 101          2HB       ALA 101 -20.777  18.282  -3.608
  808    H    ALA 102           H        ALA 102 -18.161  19.522  -1.991
  809    HA   ALA 102           HA       ALA 102 -19.003  18.130   0.530
  810   1HB   ALA 102          3HB       ALA 102 -16.503  19.738  -0.083
  811   2HB   ALA 102          1HB       ALA 102 -16.585  18.023   0.317
  812   3HB   ALA 102          2HB       ALA 102 -16.968  19.234   1.541
  813    H    GLY 103           H        GLY 103 -20.654  19.369   1.440
  814   1HA   GLY 103          2HA       GLY 103 -21.898  21.253   2.068
  815   2HA   GLY 103          1HA       GLY 103 -21.268  22.035   0.617
  816    H    THR 104           H        THR 104 -20.998  24.064   1.848
  817    HA   THR 104           HA       THR 104 -18.617  23.975   3.673
  818    HB   THR 104           HB       THR 104 -18.468  26.428   2.791
  819    HG1  THR 104           HG1      THR 104 -20.439  26.570   1.801
  820   1HG2  THR 104          3HG2      THR 104 -17.003  24.448   2.164
  821   2HG2  THR 104          2HG2      THR 104 -18.059  24.215   0.771
  822   3HG2  THR 104          1HG2      THR 104 -17.134  25.708   0.937
  823    HA   PRO 105           HA       PRO 105 -21.481  25.636   6.659
  824   1HB   PRO 105          1HB       PRO 105 -19.692  26.431   8.566
  825   2HB   PRO 105          2HB       PRO 105 -20.131  24.732   8.306
  826   1HG   PRO 105          1HG       PRO 105 -17.707  26.214   7.440
  827   2HG   PRO 105          2HG       PRO 105 -17.872  24.542   7.997
  828   1HD   PRO 105          1HD       PRO 105 -17.616  25.269   5.366
  829   2HD   PRO 105          2HD       PRO 105 -18.390  23.767   5.917
  830    H    LYS 106           H        LYS 106 -22.178  27.780   7.412
  831    HA   LYS 106           HA       LYS 106 -20.578  30.065   6.300
  832   1HB   LYS 106          1HB       LYS 106 -22.590  29.414   4.954
  833   2HB   LYS 106          2HB       LYS 106 -23.593  29.721   6.372
  834   1HG   LYS 106          1HG       LYS 106 -22.930  32.055   6.406
  835   2HG   LYS 106          2HG       LYS 106 -21.771  31.785   5.105
  836   1HD   LYS 106          1HD       LYS 106 -24.569  30.961   4.545
  837   2HD   LYS 106          2HD       LYS 106 -24.284  32.696   4.671
  838   1HE   LYS 106          1HE       LYS 106 -23.668  32.522   2.470
  839   2HE   LYS 106          2HE       LYS 106 -22.147  31.880   3.121
  840   1HZ   LYS 106          3HZ       LYS 106 -24.548  30.207   2.629
  841   2HZ   LYS 106          2HZ       LYS 106 -23.293  30.383   1.499
  842   3HZ   LYS 106          1HZ       LYS 106 -22.983  29.676   3.013
  843    H    LYS 107           H        LYS 107 -19.713  30.368   8.544
  844    HA   LYS 107           HA       LYS 107 -19.769  31.297  10.711
  845   1HB   LYS 107          1HB       LYS 107 -22.087  32.671   9.316
  846   2HB   LYS 107          2HB       LYS 107 -21.444  33.189  10.873
  847   1HG   LYS 107          1HG       LYS 107 -20.031  34.479   9.651
  848   2HG   LYS 107          2HG       LYS 107 -19.151  32.979   9.359
  849   1HD   LYS 107          1HD       LYS 107 -19.491  33.640   7.173
  850   2HD   LYS 107          2HD       LYS 107 -20.977  32.723   7.425
  851   1HE   LYS 107          1HE       LYS 107 -22.277  34.677   7.721
  852   2HE   LYS 107          2HE       LYS 107 -20.849  35.682   8.044
  853   1HZ   LYS 107          1HZ       LYS 107 -20.078  35.106   5.765
  854   2HZ   LYS 107          3HZ       LYS 107 -21.585  34.383   5.475
  855   3HZ   LYS 107          2HZ       LYS 107 -21.490  36.050   5.791
  856    H    LYS 108           H        LYS 108 -20.708  28.808  11.029
  857    HA   LYS 108           HA       LYS 108 -23.352  29.072  12.429
  858   1HB   LYS 108          1HB       LYS 108 -21.977  26.888  10.868
  859   2HB   LYS 108          2HB       LYS 108 -23.255  26.491  12.017
  860   1HG   LYS 108          1HG       LYS 108 -24.558  28.416  10.766
  861   2HG   LYS 108          2HG       LYS 108 -23.423  28.058   9.465
  862   1HD   LYS 108          1HD       LYS 108 -24.190  25.845   9.236
  863   2HD   LYS 108          2HD       LYS 108 -24.934  25.840  10.836
  864   1HE   LYS 108          1HE       LYS 108 -25.931  27.810   8.796
  865   2HE   LYS 108          2HE       LYS 108 -26.463  26.119   8.699
  866   1HZ   LYS 108          1HZ       LYS 108 -26.548  27.785  11.159
  867   2HZ   LYS 108          3HZ       LYS 108 -27.888  27.460  10.172
  868   3HZ   LYS 108          2HZ       LYS 108 -27.118  26.192  11.000
  869    H    ALA 109           H        ALA 109 -23.393  26.989  14.129
  870    HA   ALA 109           HA       ALA 109 -20.869  27.226  15.740
  871   1HB   ALA 109          1HB       ALA 109 -23.196  28.314  16.404
  872   2HB   ALA 109          3HB       ALA 109 -23.571  26.672  16.924
  873   3HB   ALA 109          2HB       ALA 109 -22.201  27.530  17.631
  874    H    VAL 110           H        VAL 110 -19.847  25.212  15.366
  875    HA   VAL 110           HA       VAL 110 -21.524  22.769  15.862
  876    HB   VAL 110           HB       VAL 110 -19.268  23.192  13.867
  877   1HG1  VAL 110          3HG1      VAL 110 -19.873  20.839  15.042
  878   2HG1  VAL 110          2HG1      VAL 110 -21.080  20.832  13.757
  879   3HG1  VAL 110          1HG1      VAL 110 -19.367  20.955  13.357
  880   1HG2  VAL 110          1HG2      VAL 110 -22.271  23.164  13.649
  881   2HG2  VAL 110          3HG2      VAL 110 -21.118  24.280  12.918
  882   3HG2  VAL 110          2HG2      VAL 110 -21.285  22.643  12.283
  883    H    VAL 111           H        VAL 111 -20.766  21.812  17.759
  884    HA   VAL 111           HA       VAL 111 -17.809  21.924  18.276
  885    HB   VAL 111           HB       VAL 111 -20.149  22.022  20.215
  886   1HG1  VAL 111          2HG1      VAL 111 -18.054  20.876  21.045
  887   2HG1  VAL 111          1HG1      VAL 111 -17.191  22.389  20.768
  888   3HG1  VAL 111          3HG1      VAL 111 -18.497  22.324  21.951
  889   1HG2  VAL 111          3HG2      VAL 111 -19.781  24.104  18.876
  890   2HG2  VAL 111          2HG2      VAL 111 -19.464  24.338  20.596
  891   3HG2  VAL 111          1HG2      VAL 111 -18.120  24.154  19.468
  892    H    GLN 112           H        GLN 112 -16.852  19.901  18.713
  893    HA   GLN 112           HA       GLN 112 -18.717  17.580  19.115
  894   1HB   GLN 112          1HB       GLN 112 -16.292  17.991  17.361
  895   2HB   GLN 112          2HB       GLN 112 -16.830  16.370  17.805
  896   1HG   GLN 112          1HG       GLN 112 -19.165  17.149  16.990
  897   2HG   GLN 112          2HG       GLN 112 -18.291  18.458  16.193
  898   1HE2  GLN 112          1HE2      GLN 112 -17.977  17.894  14.002
  899   2HE2  GLN 112          2HE2      GLN 112 -17.534  16.345  13.468
  900    H    ALA 113           H        ALA 113 -18.371  16.883  21.241
  901    HA   ALA 113           HA       ALA 113 -15.531  16.834  22.223
  902   1HB   ALA 113          3HB       ALA 113 -16.846  18.480  23.405
  903   2HB   ALA 113          1HB       ALA 113 -16.668  17.094  24.482
  904   3HB   ALA 113          2HB       ALA 113 -18.179  17.344  23.609
  905    H    LYS 114           H        LYS 114 -15.024  14.618  21.792
  906    HA   LYS 114           HA       LYS 114 -16.829  12.616  23.118
  907   1HB   LYS 114          1HB       LYS 114 -16.208  11.092  21.261
  908   2HB   LYS 114          2HB       LYS 114 -16.985  12.554  20.659
  909   1HG   LYS 114          1HG       LYS 114 -14.072  12.837  20.892
  910   2HG   LYS 114          2HG       LYS 114 -14.545  11.542  19.792
  911   1HD   LYS 114          1HD       LYS 114 -16.081  13.147  18.638
  912   2HD   LYS 114          2HD       LYS 114 -15.456  14.432  19.673
  913   1HE   LYS 114          1HE       LYS 114 -13.463  12.759  18.189
  914   2HE   LYS 114          2HE       LYS 114 -14.372  13.981  17.279
  915   1HZ   LYS 114          3HZ       LYS 114 -13.802  15.604  19.001
  916   2HZ   LYS 114          2HZ       LYS 114 -12.863  14.435  19.800
  917   3HZ   LYS 114          1HZ       LYS 114 -12.413  14.980  18.255
  918    H    LEU 115           H        LEU 115 -15.716  10.823  24.172
  919    HA   LEU 115           HA       LEU 115 -12.753  11.215  24.476
  920   1HB   LEU 115          1HB       LEU 115 -15.009  10.994  26.402
  921   2HB   LEU 115          2HB       LEU 115 -13.533  10.130  26.838
  922    HG   LEU 115           HG       LEU 115 -13.306  12.951  25.857
  923   1HD1  LEU 115          1HD1      LEU 115 -14.101  12.135  28.668
  924   2HD1  LEU 115          3HD1      LEU 115 -13.596  13.755  28.190
  925   3HD1  LEU 115          2HD1      LEU 115 -15.086  13.069  27.542
  926   1HD2  LEU 115          1HD2      LEU 115 -11.459  11.147  26.572
  927   2HD2  LEU 115          3HD2      LEU 115 -11.247  12.867  26.902
  928   3HD2  LEU 115          2HD2      LEU 115 -11.821  11.789  28.174
  929    H    THR 116           H        THR 116 -11.515   9.223  24.697
  930    HA   THR 116           HA       THR 116 -13.053   6.739  24.003
  931    HB   THR 116           HB       THR 116 -10.895   6.106  22.861
  932    HG1  THR 116           HG1      THR 116  -9.440   7.370  23.919
  933   1HG2  THR 116          2HG2      THR 116 -12.819   7.228  21.687
  934   2HG2  THR 116          1HG2      THR 116 -12.002   8.769  21.942
  935   3HG2  THR 116          3HG2      THR 116 -11.249   7.527  20.942
  936    H    THR 117           H        THR 117 -12.761   4.980  25.413
  937    HA   THR 117           HA       THR 117 -10.637   5.276  27.516
  938    HB   THR 117           HB       THR 117 -12.256   3.960  28.908
  939    HG1  THR 117           HG1      THR 117 -13.427   2.895  27.394
  940   1HG2  THR 117          3HG2      THR 117 -13.381   6.469  27.631
  941   2HG2  THR 117          2HG2      THR 117 -13.894   5.789  29.175
  942   3HG2  THR 117          1HG2      THR 117 -12.258   6.421  28.991

  No H/Q in entry =         942
  Start of MODEL   26
    1    H1   MET   1           H        MET   1 -15.183  -8.970 -12.172
    2    H2   MET   1           HN2      MET   1 -15.479  -9.421 -10.563
    3    HA   MET   1           HA       MET   1 -16.500 -11.446 -11.197
    4   1HB   MET   1          1HB       MET   1 -16.958 -11.844 -13.620
    5   2HB   MET   1          2HB       MET   1 -17.820 -10.436 -13.002
    6   1HG   MET   1          1HG       MET   1 -15.104  -9.955 -14.136
    7   2HG   MET   1          2HG       MET   1 -16.382 -10.360 -15.279
    8   1HE   MET   1          3HE       MET   1 -14.566  -8.076 -15.009
    9   2HE   MET   1          2HE       MET   1 -15.412  -6.532 -15.066
   10   3HE   MET   1          1HE       MET   1 -14.801  -7.137 -13.528
   11    H    ALA   2           H        ALA   2 -13.842 -10.853 -10.515
   12    HA   ALA   2           HA       ALA   2 -12.340 -12.648 -12.382
   13   1HB   ALA   2          2HB       ALA   2 -11.498  -9.968 -11.233
   14   2HB   ALA   2          1HB       ALA   2 -10.410 -11.059 -12.091
   15   3HB   ALA   2          3HB       ALA   2 -11.783 -10.341 -12.933
   16    H    GLU   3           H        GLU   3 -10.026 -13.071 -11.142
   17    HA   GLU   3           HA       GLU   3 -10.699 -13.658  -8.273
   18   1HB   GLU   3          1HB       GLU   3  -9.202 -15.256 -10.376
   19   2HB   GLU   3          2HB       GLU   3  -9.264 -15.704  -8.671
   20   1HG   GLU   3          1HG       GLU   3 -11.861 -15.130 -10.016
   21   2HG   GLU   3          2HG       GLU   3 -11.047 -16.634 -10.448
   22    H    GLN   4           H        GLN   4  -9.558 -11.480  -7.887
   23    HA   GLN   4           HA       GLN   4  -6.577 -11.840  -7.961
   24   1HB   GLN   4          1HB       GLN   4  -8.282  -9.354  -8.330
   25   2HB   GLN   4          2HB       GLN   4  -6.519  -9.367  -8.296
   26   1HG   GLN   4          1HG       GLN   4  -6.351 -10.465 -10.344
   27   2HG   GLN   4          2HG       GLN   4  -7.957 -11.184 -10.205
   28   1HE2  GLN   4          1HE2      GLN   4  -6.373  -8.930 -12.036
   29   2HE2  GLN   4          2HE2      GLN   4  -7.652  -7.856 -12.338
   30    H    ARG   5           H        ARG   5  -5.436 -10.751  -6.121
   31    HA   ARG   5           HA       ARG   5  -7.235 -10.294  -3.757
   32   1HB   ARG   5          1HB       ARG   5  -5.452 -12.370  -4.202
   33   2HB   ARG   5          2HB       ARG   5  -4.497 -11.241  -3.242
   34   1HG   ARG   5          1HG       ARG   5  -6.832 -11.162  -1.865
   35   2HG   ARG   5          2HG       ARG   5  -6.895 -12.814  -2.477
   36   1HD   ARG   5          1HD       ARG   5  -5.203 -13.501  -1.108
   37   2HD   ARG   5          2HD       ARG   5  -4.255 -12.030  -1.397
   38    HE   ARG   5           HE       ARG   5  -5.693 -10.869   0.245
   39   1HH1  ARG   5          1HH1      ARG   5  -4.638 -12.523   2.201
   40   2HH1  ARG   5          2HH1      ARG   5  -5.948 -13.492   2.789
   41   1HH2  ARG   5          1HH2      ARG   5  -7.981 -12.881   0.047
   42   2HH2  ARG   5          2HH2      ARG   5  -7.841 -13.694   1.570
   43    H    PHE   6           H        PHE   6  -6.394  -8.738  -2.173
   44    HA   PHE   6           HA       PHE   6  -4.086  -7.048  -3.043
   45   1HB   PHE   6          1HB       PHE   6  -6.930  -6.460  -3.292
   46   2HB   PHE   6          2HB       PHE   6  -6.145  -5.283  -2.245
   47    HD1  PHE   6           HD1      PHE   6  -6.827  -6.201  -5.591
   48    HD2  PHE   6           HD2      PHE   6  -3.871  -4.279  -3.134
   49    HE1  PHE   6           HE1      PHE   6  -5.938  -5.028  -7.579
   50    HE2  PHE   6           HE2      PHE   6  -2.984  -3.108  -5.125
   51    HZ   PHE   6           HZ       PHE   6  -4.014  -3.479  -7.351
   52    H    CYS   7           H        CYS   7  -2.940  -6.295  -1.189
   53    HA   CYS   7           HA       CYS   7  -4.397  -6.054   1.401
   54   1HB   CYS   7          1HB       CYS   7  -2.793  -7.626   2.501
   55   2HB   CYS   7          2HB       CYS   7  -3.757  -8.429   1.264
   56    HG   CYS   7           HG       CYS   7  -1.175  -7.471   0.039
   57    H    VAL   8           H        VAL   8  -2.959  -4.927   3.071
   58    HA   VAL   8           HA       VAL   8  -0.931  -3.227   1.680
   59    HB   VAL   8           HB       VAL   8  -1.327  -1.614   3.431
   60   1HG1  VAL   8          1HG1      VAL   8  -3.856  -2.918   2.413
   61   2HG1  VAL   8          3HG1      VAL   8  -3.871  -1.417   3.338
   62   3HG1  VAL   8          2HG1      VAL   8  -3.035  -1.489   1.788
   63   1HG2  VAL   8          3HG2      VAL   8  -2.381  -3.972   4.892
   64   2HG2  VAL   8          2HG2      VAL   8  -1.560  -2.540   5.506
   65   3HG2  VAL   8          1HG2      VAL   8  -3.280  -2.473   5.129
   66    H    ASP   9           H        ASP   9   1.231  -3.685   2.037
   67    HA   ASP   9           HA       ASP   9   1.937  -5.088   4.600
   68   1HB   ASP   9          1HB       ASP   9   2.641  -5.482   1.727
   69   2HB   ASP   9          2HB       ASP   9   3.926  -5.762   2.903
   70    H    TYR  10           H        TYR  10   4.020  -4.475   5.538
   71    HA   TYR  10           HA       TYR  10   4.865  -1.705   4.746
   72   1HB   TYR  10          1HB       TYR  10   4.301  -3.096   7.220
   73   2HB   TYR  10          2HB       TYR  10   5.962  -2.510   7.249
   74    HD1  TYR  10           HD1      TYR  10   5.963  -0.029   5.824
   75    HD2  TYR  10           HD2      TYR  10   2.910  -1.636   8.391
   76    HE1  TYR  10           HE1      TYR  10   5.150   2.265   6.290
   77    HE2  TYR  10           HE2      TYR  10   2.101   0.663   8.849
   78    HH   TYR  10           HH       TYR  10   2.386   3.069   7.266
   79    H    ALA  11           H        ALA  11   7.143  -1.252   4.482
   80    HA   ALA  11           HA       ALA  11   8.826  -3.703   4.066
   81   1HB   ALA  11          2HB       ALA  11   8.108  -1.754   2.307
   82   2HB   ALA  11          3HB       ALA  11   9.613  -2.665   2.176
   83   3HB   ALA  11          1HB       ALA  11   9.609  -1.072   2.932
   84    H    LYS  12           H        LYS  12  10.540  -3.952   5.505
   85    HA   LYS  12           HA       LYS  12  11.437  -1.518   7.019
   86   1HB   LYS  12          1HB       LYS  12  10.241  -3.361   8.254
   87   2HB   LYS  12          2HB       LYS  12  11.557  -4.447   7.803
   88   1HG   LYS  12          1HG       LYS  12  13.059  -2.519   8.834
   89   2HG   LYS  12          2HG       LYS  12  11.575  -2.136   9.709
   90   1HD   LYS  12          1HD       LYS  12  12.367  -5.004   9.621
   91   2HD   LYS  12          2HD       LYS  12  13.358  -3.938  10.617
   92   1HE   LYS  12          1HE       LYS  12  11.535  -3.341  12.006
   93   2HE   LYS  12          2HE       LYS  12  10.339  -3.910  10.822
   94   1HZ   LYS  12          3HZ       LYS  12  12.329  -5.625  12.217
   95   2HZ   LYS  12          2HZ       LYS  12  10.675  -5.538  12.598
   96   3HZ   LYS  12          1HZ       LYS  12  11.173  -6.155  11.095
   97    H    ARG  13           H        ARG  13  12.690  -4.758   5.969
   98    HA   ARG  13           HA       ARG  13  15.343  -3.429   5.502
   99   1HB   ARG  13          1HB       ARG  13  14.956  -5.207   7.353
  100   2HB   ARG  13          2HB       ARG  13  14.855  -6.363   6.025
  101   1HG   ARG  13          1HG       ARG  13  17.096  -5.171   5.256
  102   2HG   ARG  13          2HG       ARG  13  17.202  -4.764   6.969
  103   1HD   ARG  13          1HD       ARG  13  16.797  -7.243   7.457
  104   2HD   ARG  13          2HD       ARG  13  17.080  -7.525   5.727
  105    HE   ARG  13           HE       ARG  13  19.081  -6.220   7.536
  106   1HH1  ARG  13          1HH1      ARG  13  20.024  -5.567   5.005
  107   2HH1  ARG  13          2HH1      ARG  13  20.830  -6.977   4.403
  108   1HH2  ARG  13          1HH2      ARG  13  19.321  -9.130   6.665
  109   2HH2  ARG  13          2HH2      ARG  13  20.432  -8.994   5.343
  110    H    GLY  14           H        GLY  14  14.944  -2.952   3.221
  111   1HA   GLY  14          2HA       GLY  14  14.286  -5.286   1.494
  112   2HA   GLY  14          1HA       GLY  14  15.787  -4.410   1.194
  113    H    THR  15           H        THR  15  15.493  -3.074  -0.578
  114    HA   THR  15           HA       THR  15  12.942  -1.489  -0.700
  115    HB   THR  15           HB       THR  15  14.379   0.188  -1.857
  116    HG1  THR  15           HG1      THR  15  15.952  -1.026  -2.756
  117   1HG2  THR  15          2HG2      THR  15  14.229  -0.294   0.806
  118   2HG2  THR  15          1HG2      THR  15  15.970  -0.432   0.566
  119   3HG2  THR  15          3HG2      THR  15  15.133   1.054   0.117
  120    H    ALA  16           H        ALA  16  11.862  -1.393  -2.756
  121    HA   ALA  16           HA       ALA  16  13.127  -2.784  -5.056
  122   1HB   ALA  16          1HB       ALA  16  10.763  -4.002  -5.176
  123   2HB   ALA  16          2HB       ALA  16  10.750  -3.671  -3.444
  124   3HB   ALA  16          3HB       ALA  16  12.041  -4.645  -4.146
  125    H    GLY  17           H        GLY  17  12.324  -2.062  -7.092
  126   1HA   GLY  17          2HA       GLY  17  11.177  -0.659  -8.581
  127   2HA   GLY  17          1HA       GLY  17  11.166   0.513  -7.262
  128    H    CYS  18           H        CYS  18   9.039   1.220  -7.062
  129    HA   CYS  18           HA       CYS  18   7.030  -0.673  -6.187
  130   1HB   CYS  18          1HB       CYS  18   5.563   1.278  -6.095
  131   2HB   CYS  18          2HB       CYS  18   7.147   1.689  -5.457
  132    H    LYS  19           H        LYS  19   5.945  -2.078  -7.468
  133    HA   LYS  19           HA       LYS  19   5.903  -1.925 -10.354
  134   1HB   LYS  19          1HB       LYS  19   4.578  -3.557  -8.224
  135   2HB   LYS  19          2HB       LYS  19   3.870  -3.609  -9.838
  136   1HG   LYS  19          1HG       LYS  19   6.838  -3.900  -9.587
  137   2HG   LYS  19          2HG       LYS  19   5.824  -5.278  -9.155
  138   1HD   LYS  19          1HD       LYS  19   4.642  -4.589 -11.477
  139   2HD   LYS  19          2HD       LYS  19   6.277  -4.020 -11.813
  140   1HE   LYS  19          1HE       LYS  19   7.213  -6.195 -11.493
  141   2HE   LYS  19          2HE       LYS  19   5.724  -6.801 -10.739
  142   1HZ   LYS  19          2HZ       LYS  19   5.918  -5.769 -13.520
  143   2HZ   LYS  19          1HZ       LYS  19   5.894  -7.417 -13.105
  144   3HZ   LYS  19          3HZ       LYS  19   4.541  -6.443 -12.787
  145    H    LYS  20           H        LYS  20   3.966  -1.504 -11.748
  146    HA   LYS  20           HA       LYS  20   2.078  -0.242 -12.374
  147   1HB   LYS  20          1HB       LYS  20   1.441  -1.549 -10.031
  148   2HB   LYS  20          2HB       LYS  20   1.119   0.132  -9.602
  149   1HG   LYS  20          1HG       LYS  20  -0.918  -0.723 -10.529
  150   2HG   LYS  20          2HG       LYS  20  -0.206   0.310 -11.770
  151   1HD   LYS  20          1HD       LYS  20  -0.783  -1.629 -12.968
  152   2HD   LYS  20          2HD       LYS  20   0.926  -1.878 -12.614
  153   1HE   LYS  20          1HE       LYS  20  -0.155  -2.975 -10.381
  154   2HE   LYS  20          2HE       LYS  20  -1.443  -3.321 -11.551
  155   1HZ   LYS  20          3HZ       LYS  20   0.246  -4.168 -13.080
  156   2HZ   LYS  20          2HZ       LYS  20   1.452  -3.898 -11.914
  157   3HZ   LYS  20          1HZ       LYS  20   0.235  -5.050 -11.632
  158    H    CYS  21           H        CYS  21   4.692   1.106 -11.121
  159    HA   CYS  21           HA       CYS  21   3.875   3.794 -11.605
  160   1HB   CYS  21          1HB       CYS  21   4.105   4.645  -9.246
  161   2HB   CYS  21          2HB       CYS  21   2.665   3.690  -9.546
  162    H    LYS  22           H        LYS  22   5.703   5.184 -11.799
  163    HA   LYS  22           HA       LYS  22   8.304   3.793 -11.817
  164   1HB   LYS  22          1HB       LYS  22   7.208   6.429 -12.731
  165   2HB   LYS  22          2HB       LYS  22   8.955   6.256 -12.572
  166   1HG   LYS  22          1HG       LYS  22   8.652   5.538 -14.761
  167   2HG   LYS  22          2HG       LYS  22   8.540   4.005 -13.896
  168   1HD   LYS  22          1HD       LYS  22   6.008   5.535 -14.169
  169   2HD   LYS  22          2HD       LYS  22   6.660   4.845 -15.655
  170   1HE   LYS  22          1HE       LYS  22   6.633   3.061 -13.262
  171   2HE   LYS  22          2HE       LYS  22   5.069   3.416 -14.022
  172   1HZ   LYS  22          2HZ       LYS  22   6.132   2.918 -16.192
  173   2HZ   LYS  22          1HZ       LYS  22   7.511   2.379 -15.358
  174   3HZ   LYS  22          3HZ       LYS  22   6.034   1.569 -15.165
  175    H    GLU  23           H        GLU  23   8.632   3.468  -9.470
  176    HA   GLU  23           HA       GLU  23  10.140   5.666  -8.276
  177   1HB   GLU  23          1HB       GLU  23   7.458   5.827  -7.896
  178   2HB   GLU  23          2HB       GLU  23   7.905   4.838  -6.517
  179   1HG   GLU  23          1HG       GLU  23   8.982   6.517  -5.467
  180   2HG   GLU  23          2HG       GLU  23   9.698   7.123  -6.962
  181    H    LYS  24           H        LYS  24  10.516   4.861  -5.709
  182    HA   LYS  24           HA       LYS  24  11.102   1.903  -5.832
  183   1HB   LYS  24          1HB       LYS  24  12.979   3.728  -6.226
  184   2HB   LYS  24          2HB       LYS  24  12.895   3.900  -4.472
  185   1HG   LYS  24          1HG       LYS  24  13.463   1.609  -4.120
  186   2HG   LYS  24          2HG       LYS  24  13.208   1.212  -5.820
  187   1HD   LYS  24          1HD       LYS  24  15.249   3.287  -5.084
  188   2HD   LYS  24          2HD       LYS  24  15.655   1.578  -4.927
  189   1HE   LYS  24          1HE       LYS  24  14.422   2.617  -7.480
  190   2HE   LYS  24          2HE       LYS  24  16.172   2.728  -7.205
  191   1HZ   LYS  24          1HZ       LYS  24  16.104   0.339  -6.572
  192   2HZ   LYS  24          3HZ       LYS  24  14.494   0.281  -7.100
  193   3HZ   LYS  24          2HZ       LYS  24  15.736   0.624  -8.206
  194    H    ILE  25           H        ILE  25  11.171   0.876  -3.690
  195    HA   ILE  25           HA       ILE  25   9.595   2.406  -1.644
  196    HB   ILE  25           HB       ILE  25   9.976  -0.579  -2.077
  197   1HG1  ILE  25          1HG1      ILE  25   7.515   1.110  -2.602
  198   2HG1  ILE  25          2HG1      ILE  25   8.683   0.702  -3.860
  199   1HG2  ILE  25          3HG2      ILE  25   9.404   0.409   0.279
  200   2HG2  ILE  25          2HG2      ILE  25   7.818   0.712  -0.429
  201   3HG2  ILE  25          1HG2      ILE  25   8.444  -0.934  -0.341
  202   1HD1  ILE  25          3HD1      ILE  25   8.329  -1.754  -3.066
  203   2HD1  ILE  25          2HD1      ILE  25   6.857  -1.131  -2.320
  204   3HD1  ILE  25          1HD1      ILE  25   7.082  -1.006  -4.064
  205    H    VAL  26           H        VAL  26  10.634   2.898   0.293
  206    HA   VAL  26           HA       VAL  26  13.137   1.372   0.953
  207    HB   VAL  26           HB       VAL  26  14.016   3.531   1.798
  208   1HG1  VAL  26          3HG1      VAL  26  14.184   2.758  -0.659
  209   2HG1  VAL  26          2HG1      VAL  26  12.965   3.988  -0.994
  210   3HG1  VAL  26          1HG1      VAL  26  14.526   4.454  -0.319
  211   1HG2  VAL  26          2HG2      VAL  26  11.658   4.441   2.272
  212   2HG2  VAL  26          1HG2      VAL  26  12.812   5.579   1.577
  213   3HG2  VAL  26          3HG2      VAL  26  11.582   4.834   0.554
  214    H    LYS  27           H        LYS  27  13.614   1.294   3.308
  215    HA   LYS  27           HA       LYS  27  11.549   0.374   4.951
  216   1HB   LYS  27          1HB       LYS  27  13.067   0.871   6.847
  217   2HB   LYS  27          2HB       LYS  27  13.958   0.219   5.472
  218   1HG   LYS  27          1HG       LYS  27  14.581   2.520   4.795
  219   2HG   LYS  27          2HG       LYS  27  13.716   3.156   6.194
  220   1HD   LYS  27          1HD       LYS  27  15.872   3.032   7.048
  221   2HD   LYS  27          2HD       LYS  27  15.246   1.451   7.516
  222   1HE   LYS  27          1HE       LYS  27  17.222   0.788   6.485
  223   2HE   LYS  27          2HE       LYS  27  16.159   0.812   5.064
  224   1HZ   LYS  27          3HZ       LYS  27  17.735   3.138   6.031
  225   2HZ   LYS  27          2HZ       LYS  27  18.202   2.134   4.743
  226   3HZ   LYS  27          1HZ       LYS  27  16.790   3.074   4.624
  227    H    GLY  28           H        GLY  28   9.866   1.293   6.158
  228   1HA   GLY  28          2HA       GLY  28   9.948   4.227   6.649
  229   2HA   GLY  28          1HA       GLY  28   8.922   3.080   7.502
  230    H    VAL  29           H        VAL  29   8.443   2.015   4.438
  231    HA   VAL  29           HA       VAL  29   6.270   4.011   3.939
  232    HB   VAL  29           HB       VAL  29   8.296   4.083   2.403
  233   1HG1  VAL  29          2HG1      VAL  29   8.638   1.581   2.358
  234   2HG1  VAL  29          1HG1      VAL  29   7.190   1.458   1.364
  235   3HG1  VAL  29          3HG1      VAL  29   8.599   2.327   0.764
  236   1HG2  VAL  29          3HG2      VAL  29   5.588   3.383   1.238
  237   2HG2  VAL  29          2HG2      VAL  29   6.173   4.992   1.661
  238   3HG2  VAL  29          1HG2      VAL  29   6.904   4.111   0.318
  239    H    CYS  30           H        CYS  30   4.203   3.110   3.632
  240    HA   CYS  30           HA       CYS  30   3.989   0.149   3.897
  241   1HB   CYS  30          1HB       CYS  30   2.637   1.722   5.302
  242   2HB   CYS  30          2HB       CYS  30   1.857   2.315   3.836
  243    HG   CYS  30           HG       CYS  30   0.347   0.363   3.929
  244    H    ARG  31           H        ARG  31   3.524  -1.158   2.117
  245    HA   ARG  31           HA       ARG  31   2.530   0.226  -0.359
  246   1HB   ARG  31          1HB       ARG  31   3.985  -1.351  -1.604
  247   2HB   ARG  31          2HB       ARG  31   4.921  -0.370  -0.479
  248   1HG   ARG  31          1HG       ARG  31   3.930  -2.840   0.750
  249   2HG   ARG  31          2HG       ARG  31   4.962  -3.150  -0.645
  250   1HD   ARG  31          1HD       ARG  31   6.688  -1.618   0.347
  251   2HD   ARG  31          2HD       ARG  31   5.670  -1.484   1.796
  252    HE   ARG  31           HE       ARG  31   6.186  -3.746   2.329
  253   1HH1  ARG  31          1HH1      ARG  31   8.600  -2.756   0.458
  254   2HH1  ARG  31          2HH1      ARG  31   8.897  -4.245  -0.374
  255   1HH2  ARG  31          1HH2      ARG  31   5.954  -5.735   0.691
  256   2HH2  ARG  31          2HH2      ARG  31   7.399  -5.931  -0.243
  257    H    ILE  32           H        ILE  32   1.042  -1.018  -1.682
  258    HA   ILE  32           HA       ILE  32  -0.272  -3.238  -0.174
  259    HB   ILE  32           HB       ILE  32  -1.305  -1.796  -2.636
  260   1HG1  ILE  32          1HG1      ILE  32  -1.834  -1.058   0.265
  261   2HG1  ILE  32          2HG1      ILE  32  -0.761  -0.154  -0.802
  262   1HG2  ILE  32          1HG2      ILE  32  -2.338  -3.966  -1.832
  263   2HG2  ILE  32          3HG2      ILE  32  -2.797  -3.112  -0.358
  264   3HG2  ILE  32          2HG2      ILE  32  -3.444  -2.595  -1.915
  265   1HD1  ILE  32          1HD1      ILE  32  -3.485  -0.711  -1.850
  266   2HD1  ILE  32          3HD1      ILE  32  -3.382   0.443  -0.519
  267   3HD1  ILE  32          2HD1      ILE  32  -2.490   0.736  -2.012
  268    H    GLY  33           H        GLY  33  -0.051  -5.347  -0.928
  269   1HA   GLY  33          2HA       GLY  33   1.270  -6.872  -2.307
  270   2HA   GLY  33          1HA       GLY  33   1.210  -5.683  -3.606
  271    H    LYS  34           H        LYS  34  -0.011  -6.588  -5.259
  272    HA   LYS  34           HA       LYS  34  -2.720  -7.592  -4.508
  273   1HB   LYS  34          1HB       LYS  34  -2.613  -5.765  -6.124
  274   2HB   LYS  34          2HB       LYS  34  -1.507  -6.683  -7.143
  275   1HG   LYS  34          1HG       LYS  34  -3.312  -8.437  -7.364
  276   2HG   LYS  34          2HG       LYS  34  -4.403  -7.332  -6.528
  277   1HD   LYS  34          1HD       LYS  34  -4.817  -6.869  -8.797
  278   2HD   LYS  34          2HD       LYS  34  -3.677  -5.606  -8.333
  279   1HE   LYS  34          1HE       LYS  34  -1.933  -7.557  -9.083
  280   2HE   LYS  34          2HE       LYS  34  -3.291  -7.901 -10.174
  281   1HZ   LYS  34          2HZ       LYS  34  -3.380  -5.485 -10.657
  282   2HZ   LYS  34          1HZ       LYS  34  -1.944  -5.284  -9.770
  283   3HZ   LYS  34          3HZ       LYS  34  -1.941  -6.221 -11.183
  284    H    VAL  35           H        VAL  35  -2.931  -9.864  -4.462
  285    HA   VAL  35           HA       VAL  35  -0.879 -11.466  -5.945
  286    HB   VAL  35           HB       VAL  35  -2.861 -12.229  -3.770
  287   1HG1  VAL  35          3HG1      VAL  35  -0.632 -13.711  -5.169
  288   2HG1  VAL  35          2HG1      VAL  35  -1.199 -14.188  -3.570
  289   3HG1  VAL  35          1HG1      VAL  35  -2.307 -14.216  -4.941
  290   1HG2  VAL  35          3HG2      VAL  35  -0.995 -10.568  -3.188
  291   2HG2  VAL  35          2HG2      VAL  35  -1.044 -12.046  -2.228
  292   3HG2  VAL  35          1HG2      VAL  35   0.136 -11.878  -3.527
  293    H    VAL  36           H        VAL  36  -1.598 -11.995  -8.019
  294    HA   VAL  36           HA       VAL  36  -4.445 -12.915  -8.290
  295    HB   VAL  36           HB       VAL  36  -2.605 -11.532 -10.275
  296   1HG1  VAL  36          2HG1      VAL  36  -5.479 -12.473 -10.456
  297   2HG1  VAL  36          1HG1      VAL  36  -4.765 -11.326 -11.589
  298   3HG1  VAL  36          3HG1      VAL  36  -4.124 -12.966 -11.471
  299   1HG2  VAL  36          3HG2      VAL  36  -4.830 -10.588  -8.476
  300   2HG2  VAL  36          2HG2      VAL  36  -3.256  -9.849  -8.771
  301   3HG2  VAL  36          1HG2      VAL  36  -4.515  -9.760 -10.002
  302    HA   PRO  37           HA       PRO  37  -2.021 -16.603  -9.360
  303   1HB   PRO  37          1HB       PRO  37  -4.114 -18.365  -9.351
  304   2HB   PRO  37          2HB       PRO  37  -3.299 -17.828  -7.869
  305   1HG   PRO  37          1HG       PRO  37  -5.884 -16.935  -9.038
  306   2HG   PRO  37          2HG       PRO  37  -5.434 -17.179  -7.343
  307   1HD   PRO  37          1HD       PRO  37  -5.568 -14.727  -8.543
  308   2HD   PRO  37          2HD       PRO  37  -4.527 -15.092  -7.150
  309    H    ASN  38           H        ASN  38  -1.492 -17.038 -11.514
  310    HA   ASN  38           HA       ASN  38  -3.615 -16.589 -13.582
  311   1HB   ASN  38          1HB       ASN  38  -0.585 -16.729 -13.745
  312   2HB   ASN  38          2HB       ASN  38  -1.656 -16.358 -15.096
  313   1HD2  ASN  38          2HD2      ASN  38  -3.180 -14.361 -14.678
  314   2HD2  ASN  38          1HD2      ASN  38  -2.508 -13.079 -13.792
  315    HA   PRO  39           HA       PRO  39  -3.348 -21.097 -13.875
  316   1HB   PRO  39          1HB       PRO  39  -5.563 -21.454 -15.433
  317   2HB   PRO  39          2HB       PRO  39  -5.653 -21.191 -13.681
  318   1HG   PRO  39          1HG       PRO  39  -6.190 -19.311 -15.905
  319   2HG   PRO  39          2HG       PRO  39  -6.943 -19.421 -14.308
  320   1HD   PRO  39          1HD       PRO  39  -5.020 -17.567 -15.049
  321   2HD   PRO  39          2HD       PRO  39  -5.432 -18.010 -13.379
  322    H    PHE  40           H        PHE  40  -1.350 -20.651 -15.290
  323    HA   PHE  40           HA       PHE  40  -1.930 -21.420 -18.099
  324   1HB   PHE  40          1HB       PHE  40  -2.053 -18.947 -17.991
  325   2HB   PHE  40          2HB       PHE  40  -0.432 -18.902 -17.296
  326    HD1  PHE  40           HD1      PHE  40  -2.384 -19.181 -20.342
  327    HD2  PHE  40           HD2      PHE  40   1.514 -19.785 -18.641
  328    HE1  PHE  40           HE1      PHE  40  -1.400 -19.243 -22.617
  329    HE2  PHE  40           HE2      PHE  40   2.498 -19.847 -20.915
  330    HZ   PHE  40           HZ       PHE  40   1.042 -19.576 -22.905
  331    H    SER  41           H        SER  41   0.817 -20.204 -16.065
  332    HA   SER  41           HA       SER  41   2.530 -22.349 -17.252
  333   1HB   SER  41          1HB       SER  41   4.295 -20.904 -16.835
  334   2HB   SER  41          2HB       SER  41   2.990 -19.727 -16.954
  335    HG   SER  41           HG       SER  41   4.006 -19.294 -15.058
  336    H    GLU  42           H        GLU  42   3.891 -23.680 -15.776
  337    HA   GLU  42           HA       GLU  42   2.442 -24.290 -13.235
  338   1HB   GLU  42          1HB       GLU  42   4.650 -25.740 -14.741
  339   2HB   GLU  42          2HB       GLU  42   3.791 -26.374 -13.337
  340   1HG   GLU  42          1HG       GLU  42   1.883 -26.812 -14.529
  341   2HG   GLU  42          2HG       GLU  42   2.106 -25.425 -15.596
  342    H    SER  43           H        SER  43   5.757 -23.470 -14.386
  343    HA   SER  43           HA       SER  43   7.116 -23.624 -11.883
  344   1HB   SER  43          1HB       SER  43   7.568 -21.559 -14.064
  345   2HB   SER  43          2HB       SER  43   8.762 -22.164 -12.920
  346    HG   SER  43           HG       SER  43   8.917 -23.215 -14.941
  347    H    GLY  44           H        GLY  44   5.188 -20.915 -13.256
  348   1HA   GLY  44          2HA       GLY  44   4.862 -18.755 -12.238
  349   2HA   GLY  44          1HA       GLY  44   5.637 -19.355 -10.770
  350    H    GLY  45           H        GLY  45   3.749 -18.567  -9.515
  351   1HA   GLY  45          2HA       GLY  45   1.973 -20.057  -8.369
  352   2HA   GLY  45          1HA       GLY  45   1.263 -20.161  -9.981
  353    H    ASP  46           H        ASP  46   2.270 -17.720  -7.517
  354    HA   ASP  46           HA       ASP  46  -0.080 -16.069  -8.397
  355   1HB   ASP  46          1HB       ASP  46   0.800 -17.139  -5.874
  356   2HB   ASP  46          2HB       ASP  46   0.867 -15.380  -5.784
  357    H    MET  47           H        MET  47   0.258 -13.771  -8.621
  358    HA   MET  47           HA       MET  47   3.147 -12.954  -8.692
  359   1HB   MET  47          1HB       MET  47   0.746 -12.487 -10.413
  360   2HB   MET  47          2HB       MET  47   1.945 -11.197 -10.316
  361   1HG   MET  47          1HG       MET  47   3.711 -12.737 -11.006
  362   2HG   MET  47          2HG       MET  47   2.572 -14.083 -11.007
  363   1HE   MET  47          1HE       MET  47   4.353 -13.599 -13.324
  364   2HE   MET  47          3HE       MET  47   3.807 -12.575 -14.660
  365   3HE   MET  47          2HE       MET  47   4.456 -11.845 -13.194
  366    H    LYS  48           H        LYS  48   3.654 -11.511  -7.043
  367    HA   LYS  48           HA       LYS  48   1.461  -9.720  -6.032
  368   1HB   LYS  48          1HB       LYS  48   2.699 -11.608  -4.639
  369   2HB   LYS  48          2HB       LYS  48   3.963 -10.384  -4.509
  370   1HG   LYS  48          1HG       LYS  48   2.223  -8.770  -3.682
  371   2HG   LYS  48          2HG       LYS  48   1.070 -10.104  -3.653
  372   1HD   LYS  48          1HD       LYS  48   3.716 -10.167  -2.182
  373   2HD   LYS  48          2HD       LYS  48   2.206  -9.642  -1.437
  374   1HE   LYS  48          1HE       LYS  48   1.197 -11.807  -1.747
  375   2HE   LYS  48          2HE       LYS  48   2.538 -12.345  -2.779
  376   1HZ   LYS  48          1HZ       LYS  48   4.038 -11.859  -0.868
  377   2HZ   LYS  48          3HZ       LYS  48   2.664 -11.624   0.099
  378   3HZ   LYS  48          2HZ       LYS  48   2.965 -13.147  -0.593
  379    H    GLU  49           H        GLU  49   1.808  -7.523  -6.399
  380    HA   GLU  49           HA       GLU  49   4.594  -6.669  -7.121
  381   1HB   GLU  49          1HB       GLU  49   1.834  -6.057  -8.084
  382   2HB   GLU  49          2HB       GLU  49   3.001  -4.738  -8.117
  383   1HG   GLU  49          1HG       GLU  49   3.584  -5.622 -10.137
  384   2HG   GLU  49          2HG       GLU  49   4.502  -6.767  -9.160
  385    H    TRP  50           H        TRP  50   5.550  -5.298  -5.599
  386    HA   TRP  50           HA       TRP  50   3.854  -4.161  -3.437
  387   1HB   TRP  50          1HB       TRP  50   6.839  -4.113  -3.991
  388   2HB   TRP  50          2HB       TRP  50   6.091  -3.438  -2.547
  389    HD1  TRP  50           HD1      TRP  50   7.970  -6.249  -3.330
  390    HE1  TRP  50           HE1      TRP  50   7.344  -8.327  -1.964
  391    HE3  TRP  50           HE3      TRP  50   3.363  -4.821  -1.631
  392    HZ2  TRP  50           HZ2      TRP  50   5.158  -9.278  -0.356
  393    HZ3  TRP  50           HZ3      TRP  50   2.029  -6.330  -0.186
  394    HH2  TRP  50           HH2      TRP  50   2.925  -8.556   0.453
  395    H    TYR  51           H        TYR  51   3.077  -2.038  -3.537
  396    HA   TYR  51           HA       TYR  51   4.741  -0.057  -4.945
  397   1HB   TYR  51          1HB       TYR  51   2.435   0.720  -6.033
  398   2HB   TYR  51          2HB       TYR  51   3.501  -0.434  -6.803
  399    HD1  TYR  51           HD1      TYR  51   2.770  -2.609  -7.328
  400    HD2  TYR  51           HD2      TYR  51   0.479  -0.179  -4.624
  401    HE1  TYR  51           HE1      TYR  51   0.923  -4.258  -7.412
  402    HE2  TYR  51           HE2      TYR  51  -1.366  -1.843  -4.707
  403    HH   TYR  51           HH       TYR  51  -1.778  -3.985  -6.980
  404    H    HIS  52           H        HIS  52   3.746   2.210  -4.721
  405    HA   HIS  52           HA       HIS  52   3.270   2.666  -1.878
  406   1HB   HIS  52          1HB       HIS  52   3.124   4.533  -4.273
  407   2HB   HIS  52          2HB       HIS  52   3.248   5.038  -2.586
  408    HD2  HIS  52           HD2      HIS  52   5.753   4.118  -1.308
  409    HE1  HIS  52           HE1      HIS  52   7.818   3.761  -4.978
  410    HE2  HIS  52           HE2      HIS  52   8.037   3.817  -2.481
  411    H    ILE  53           H        ILE  53   1.411   4.434  -1.378
  412    HA   ILE  53           HA       ILE  53  -1.141   3.104  -2.128
  413    HB   ILE  53           HB       ILE  53  -0.687   5.507  -0.320
  414   1HG1  ILE  53          1HG1      ILE  53   0.725   3.635   0.476
  415   2HG1  ILE  53          2HG1      ILE  53  -0.629   3.903   1.568
  416   1HG2  ILE  53          3HG2      ILE  53  -3.016   4.963  -1.096
  417   2HG2  ILE  53          2HG2      ILE  53  -2.856   3.389  -0.320
  418   3HG2  ILE  53          1HG2      ILE  53  -2.813   4.856   0.653
  419   1HD1  ILE  53          2HD1      ILE  53  -0.643   1.845  -0.651
  420   2HD1  ILE  53          1HD1      ILE  53  -0.230   1.482   1.026
  421   3HD1  ILE  53          3HD1      ILE  53  -1.850   2.049   0.619
  422    H    LYS  54           H        LYS  54   0.321   6.401  -2.247
  423    HA   LYS  54           HA       LYS  54  -1.796   7.633  -3.751
  424   1HB   LYS  54          1HB       LYS  54   0.189   8.732  -2.556
  425   2HB   LYS  54          2HB       LYS  54   1.159   8.287  -3.959
  426   1HG   LYS  54          1HG       LYS  54  -0.654   9.471  -5.361
  427   2HG   LYS  54          2HG       LYS  54  -1.192  10.175  -3.836
  428   1HD   LYS  54          1HD       LYS  54   1.660  10.342  -4.847
  429   2HD   LYS  54          2HD       LYS  54   0.455  11.605  -5.105
  430   1HE   LYS  54          1HE       LYS  54   0.171  11.276  -2.433
  431   2HE   LYS  54          2HE       LYS  54   1.887  10.852  -2.609
  432   1HZ   LYS  54          2HZ       LYS  54   0.600  13.266  -3.775
  433   2HZ   LYS  54          1HZ       LYS  54   1.554  13.262  -2.369
  434   3HZ   LYS  54          3HZ       LYS  54   2.248  12.862  -3.864
  435    H    CYS  55           H        CYS  55   1.101   5.808  -4.806
  436    HA   CYS  55           HA       CYS  55   0.810   6.269  -7.631
  437   1HB   CYS  55          1HB       CYS  55   1.980   4.041  -5.952
  438   2HB   CYS  55          2HB       CYS  55   1.977   3.939  -7.706
  439    H    MET  56           H        MET  56  -0.378   3.571  -5.576
  440    HA   MET  56           HA       MET  56  -1.897   2.315  -7.713
  441   1HB   MET  56          1HB       MET  56  -1.116   1.181  -5.614
  442   2HB   MET  56          2HB       MET  56  -2.285   2.138  -4.704
  443   1HG   MET  56          1HG       MET  56  -3.300  -0.006  -5.160
  444   2HG   MET  56          2HG       MET  56  -4.092   1.189  -6.187
  445   1HE   MET  56          3HE       MET  56  -4.893  -1.198  -7.294
  446   2HE   MET  56          2HE       MET  56  -4.879   0.278  -8.255
  447   3HE   MET  56          1HE       MET  56  -4.297  -1.227  -8.959
  448    H    PHE  57           H        PHE  57  -2.822   4.513  -5.024
  449    HA   PHE  57           HA       PHE  57  -5.618   4.630  -5.745
  450   1HB   PHE  57          1HB       PHE  57  -3.732   6.217  -4.057
  451   2HB   PHE  57          2HB       PHE  57  -5.235   7.007  -4.529
  452    HD1  PHE  57           HD1      PHE  57  -3.823   4.001  -2.843
  453    HD2  PHE  57           HD2      PHE  57  -7.335   6.360  -3.584
  454    HE1  PHE  57           HE1      PHE  57  -5.051   2.714  -1.118
  455    HE2  PHE  57           HE2      PHE  57  -8.563   5.073  -1.859
  456    HZ   PHE  57           HZ       PHE  57  -7.421   3.250  -0.626
  457    H    GLU  58           H        GLU  58  -2.751   6.368  -6.975
  458    HA   GLU  58           HA       GLU  58  -4.123   8.486  -8.346
  459   1HB   GLU  58          1HB       GLU  58  -1.505   7.050  -8.632
  460   2HB   GLU  58          2HB       GLU  58  -2.012   8.118  -9.940
  461   1HG   GLU  58          1HG       GLU  58  -2.088   9.047  -7.074
  462   2HG   GLU  58          2HG       GLU  58  -0.600   9.140  -8.017
  463    H    LYS  59           H        LYS  59  -3.397   5.117  -9.344
  464    HA   LYS  59           HA       LYS  59  -4.418   5.396 -12.044
  465   1HB   LYS  59          1HB       LYS  59  -3.041   3.482 -10.768
  466   2HB   LYS  59          2HB       LYS  59  -4.655   2.806 -10.553
  467   1HG   LYS  59          1HG       LYS  59  -3.896   1.879 -12.599
  468   2HG   LYS  59          2HG       LYS  59  -4.964   3.198 -13.081
  469   1HD   LYS  59          1HD       LYS  59  -2.829   4.658 -13.102
  470   2HD   LYS  59          2HD       LYS  59  -1.948   3.130 -13.094
  471   1HE   LYS  59          1HE       LYS  59  -3.708   2.587 -15.070
  472   2HE   LYS  59          2HE       LYS  59  -3.587   4.348 -15.261
  473   1HZ   LYS  59          3HZ       LYS  59  -1.147   4.104 -15.138
  474   2HZ   LYS  59          2HZ       LYS  59  -1.334   2.415 -15.137
  475   3HZ   LYS  59          1HZ       LYS  59  -1.814   3.325 -16.489
  476    H    LEU  60           H        LEU  60  -5.966   4.451  -8.952
  477    HA   LEU  60           HA       LEU  60  -8.544   3.753 -10.016
  478   1HB   LEU  60          1HB       LEU  60  -7.459   4.710  -7.384
  479   2HB   LEU  60          2HB       LEU  60  -9.208   4.716  -7.604
  480    HG   LEU  60           HG       LEU  60  -9.086   2.316  -8.295
  481   1HD1  LEU  60          2HD1      LEU  60  -6.193   2.608  -7.425
  482   2HD1  LEU  60          1HD1      LEU  60  -6.988   1.087  -7.832
  483   3HD1  LEU  60          3HD1      LEU  60  -6.748   2.317  -9.073
  484   1HD2  LEU  60          1HD2      LEU  60  -8.287   3.345  -5.613
  485   2HD2  LEU  60          3HD2      LEU  60  -9.696   2.389  -6.075
  486   3HD2  LEU  60          2HD2      LEU  60  -8.126   1.608  -5.881
  487    H    GLU  61           H        GLU  61  -7.213   6.926  -8.964
  488    HA   GLU  61           HA       GLU  61  -9.588   8.482  -9.375
  489   1HB   GLU  61          1HB       GLU  61  -7.322   9.145  -8.328
  490   2HB   GLU  61          2HB       GLU  61  -6.773   9.424  -9.982
  491   1HG   GLU  61          1HG       GLU  61  -8.361  11.150 -10.337
  492   2HG   GLU  61          2HG       GLU  61  -9.308  10.680  -8.924
  493    H    ARG  62           H        ARG  62  -7.123   7.323 -11.690
  494    HA   ARG  62           HA       ARG  62  -8.623   8.658 -13.912
  495   1HB   ARG  62          1HB       ARG  62  -5.829   7.563 -13.540
  496   2HB   ARG  62          2HB       ARG  62  -6.461   7.921 -15.148
  497   1HG   ARG  62          1HG       ARG  62  -5.597   9.996 -14.705
  498   2HG   ARG  62          2HG       ARG  62  -7.141  10.212 -13.881
  499   1HD   ARG  62          1HD       ARG  62  -6.188  10.113 -11.789
  500   2HD   ARG  62          2HD       ARG  62  -4.959   8.937 -12.295
  501    HE   ARG  62           HE       ARG  62  -4.848  11.852 -12.978
  502   1HH1  ARG  62          1HH1      ARG  62  -2.772  12.333 -11.758
  503   2HH1  ARG  62          2HH1      ARG  62  -1.435  11.332 -12.221
  504   1HH2  ARG  62          1HH2      ARG  62  -3.405   9.009 -13.877
  505   2HH2  ARG  62          2HH2      ARG  62  -1.794   9.451 -13.420
  506    H    ALA  63           H        ALA  63  -9.527   6.073 -12.525
  507    HA   ALA  63           HA       ALA  63  -9.220   4.192 -14.842
  508   1HB   ALA  63          2HB       ALA  63  -9.706   2.454 -13.148
  509   2HB   ALA  63          3HB       ALA  63  -9.916   3.707 -11.925
  510   3HB   ALA  63          1HB       ALA  63  -8.332   3.444 -12.654
  511    H    ARG  64           H        ARG  64 -11.257   2.794 -15.202
  512    HA   ARG  64           HA       ARG  64 -13.571   4.472 -15.614
  513   1HB   ARG  64          1HB       ARG  64 -12.934   1.546 -15.783
  514   2HB   ARG  64          2HB       ARG  64 -14.632   2.024 -15.815
  515   1HG   ARG  64          1HG       ARG  64 -12.563   3.304 -17.611
  516   2HG   ARG  64          2HG       ARG  64 -13.468   1.867 -18.089
  517   1HD   ARG  64          1HD       ARG  64 -15.436   3.031 -18.350
  518   2HD   ARG  64          2HD       ARG  64 -15.070   4.142 -17.016
  519    HE   ARG  64           HE       ARG  64 -13.362   5.193 -18.573
  520   1HH1  ARG  64          1HH1      ARG  64 -15.423   6.516 -19.722
  521   2HH1  ARG  64          2HH1      ARG  64 -15.672   5.851 -21.302
  522   1HH2  ARG  64          1HH2      ARG  64 -13.914   2.935 -20.642
  523   2HH2  ARG  64          2HH2      ARG  64 -14.817   3.824 -21.823
  524    H    ALA  65           H        ALA  65 -15.701   4.320 -14.532
  525    HA   ALA  65           HA       ALA  65 -15.423   3.975 -11.603
  526   1HB   ALA  65          3HB       ALA  65 -17.632   4.927 -13.447
  527   2HB   ALA  65          2HB       ALA  65 -17.840   4.809 -11.699
  528   3HB   ALA  65          1HB       ALA  65 -16.630   5.904 -12.371
  529    H    THR  66           H        THR  66 -17.097   2.321 -14.309
  530    HA   THR  66           HA       THR  66 -18.875   0.640 -12.902
  531    HB   THR  66           HB       THR  66 -18.113  -1.045 -14.815
  532    HG1  THR  66           HG1      THR  66 -16.228  -0.134 -15.419
  533   1HG2  THR  66          1HG2      THR  66 -20.172   0.439 -14.705
  534   2HG2  THR  66          3HG2      THR  66 -19.240   1.656 -15.577
  535   3HG2  THR  66          2HG2      THR  66 -19.576   0.098 -16.329
  536    H    THR  67           H        THR  67 -15.321   0.250 -13.248
  537    HA   THR  67           HA       THR  67 -15.487  -2.186 -11.505
  538    HB   THR  67           HB       THR  67 -13.019  -2.325 -12.378
  539    HG1  THR  67           HG1      THR  67 -12.598  -1.119 -14.138
  540   1HG2  THR  67          2HG2      THR  67 -15.553  -2.787 -13.918
  541   2HG2  THR  67          1HG2      THR  67 -13.998  -3.121 -14.681
  542   3HG2  THR  67          3HG2      THR  67 -14.454  -3.967 -13.202
  543    H    LYS  68           H        LYS  68 -15.053  -1.759  -9.339
  544    HA   LYS  68           HA       LYS  68 -13.190   0.514  -8.718
  545   1HB   LYS  68          1HB       LYS  68 -15.547  -0.706  -7.249
  546   2HB   LYS  68          2HB       LYS  68 -14.486   0.511  -6.538
  547   1HG   LYS  68          1HG       LYS  68 -15.040   2.077  -8.351
  548   2HG   LYS  68          2HG       LYS  68 -16.075   0.860  -9.099
  549   1HD   LYS  68          1HD       LYS  68 -17.167   0.838  -6.658
  550   2HD   LYS  68          2HD       LYS  68 -16.532   2.483  -6.635
  551   1HE   LYS  68          1HE       LYS  68 -17.896   3.179  -8.405
  552   2HE   LYS  68          2HE       LYS  68 -18.090   1.528  -9.031
  553   1HZ   LYS  68          1HZ       LYS  68 -19.072   2.380  -6.365
  554   2HZ   LYS  68          3HZ       LYS  68 -20.045   2.404  -7.753
  555   3HZ   LYS  68          2HZ       LYS  68 -19.417   0.932  -7.182
  556    H    LYS  69           H        LYS  69 -11.460   0.086  -7.241
  557    HA   LYS  69           HA       LYS  69 -11.192  -2.773  -6.361
  558   1HB   LYS  69          1HB       LYS  69  -9.688  -1.413  -8.205
  559   2HB   LYS  69          2HB       LYS  69  -8.769  -1.111  -6.730
  560   1HG   LYS  69          1HG       LYS  69  -7.830  -3.131  -7.301
  561   2HG   LYS  69          2HG       LYS  69  -9.219  -3.738  -6.398
  562   1HD   LYS  69          1HD       LYS  69 -10.374  -3.458  -8.815
  563   2HD   LYS  69          2HD       LYS  69  -8.713  -3.753  -9.330
  564   1HE   LYS  69          1HE       LYS  69  -8.728  -5.927  -8.582
  565   2HE   LYS  69          2HE       LYS  69  -9.764  -5.545  -7.193
  566   1HZ   LYS  69          3HZ       LYS  69 -10.710  -5.444 -10.003
  567   2HZ   LYS  69          2HZ       LYS  69 -10.888  -6.817  -9.019
  568   3HZ   LYS  69          1HZ       LYS  69 -11.649  -5.359  -8.594
  569    H    ILE  70           H        ILE  70 -10.630  -3.079  -4.160
  570    HA   ILE  70           HA       ILE  70 -10.348  -2.505  -1.894
  571    HB   ILE  70           HB       ILE  70  -8.739  -0.321  -3.263
  572   1HG1  ILE  70          1HG1      ILE  70  -7.916  -3.026  -2.154
  573   2HG1  ILE  70          2HG1      ILE  70  -8.135  -2.666  -3.865
  574   1HG2  ILE  70          1HG2      ILE  70  -9.291   0.060  -0.807
  575   2HG2  ILE  70          3HG2      ILE  70  -8.400  -1.422  -0.458
  576   3HG2  ILE  70          2HG2      ILE  70  -7.569  -0.042  -1.178
  577   1HD1  ILE  70          3HD1      ILE  70  -6.341  -0.839  -2.346
  578   2HD1  ILE  70          2HD1      ILE  70  -5.743  -2.471  -2.642
  579   3HD1  ILE  70          1HD1      ILE  70  -6.200  -1.440  -3.998
  580    H    GLU  71           H        GLU  71 -12.472  -1.881  -1.228
  581    HA   GLU  71           HA       GLU  71 -13.174   1.018  -1.575
  582   1HB   GLU  71          1HB       GLU  71 -14.714  -0.710  -2.510
  583   2HB   GLU  71          2HB       GLU  71 -14.891  -1.396  -0.895
  584   1HG   GLU  71          1HG       GLU  71 -15.484   1.162  -0.322
  585   2HG   GLU  71          2HG       GLU  71 -15.997   1.134  -2.010
  586    H    ASP  72           H        ASP  72 -13.319   2.291   0.311
  587    HA   ASP  72           HA       ASP  72 -13.119   2.844   2.596
  588   1HB   ASP  72          1HB       ASP  72 -15.064   0.763   2.217
  589   2HB   ASP  72          2HB       ASP  72 -14.228   0.458   3.740
  590    H    LEU  73           H        LEU  73 -12.575   1.288   4.882
  591    HA   LEU  73           HA       LEU  73  -9.946   0.031   4.156
  592   1HB   LEU  73          1HB       LEU  73 -10.420   2.264   5.621
  593   2HB   LEU  73          2HB       LEU  73 -10.485   1.047   6.897
  594    HG   LEU  73           HG       LEU  73  -8.262   0.261   5.453
  595   1HD1  LEU  73          2HD1      LEU  73  -8.676   3.201   5.173
  596   2HD1  LEU  73          1HD1      LEU  73  -7.044   2.644   5.541
  597   3HD1  LEU  73          3HD1      LEU  73  -7.865   2.070   4.089
  598   1HD2  LEU  73          3HD2      LEU  73  -8.436   2.138   7.832
  599   2HD2  LEU  73          2HD2      LEU  73  -8.402   0.376   7.892
  600   3HD2  LEU  73          1HD2      LEU  73  -6.981   1.268   7.347
  601    H    THR  74           H        THR  74  -9.315  -1.343   6.428
  602    HA   THR  74           HA       THR  74  -9.702  -3.435   7.436
  603    HB   THR  74           HB       THR  74 -12.171  -3.318   8.499
  604    HG1  THR  74           HG1      THR  74 -12.964  -1.571   7.494
  605   1HG2  THR  74          3HG2      THR  74  -9.558  -2.114   9.180
  606   2HG2  THR  74          2HG2      THR  74 -10.936  -1.459  10.062
  607   3HG2  THR  74          1HG2      THR  74 -10.588  -3.186  10.131
  608    H    GLU  75           H        GLU  75 -10.281  -3.430   4.547
  609    HA   GLU  75           HA       GLU  75 -12.630  -5.294   4.425
  610   1HB   GLU  75          1HB       GLU  75 -12.459  -3.098   3.064
  611   2HB   GLU  75          2HB       GLU  75 -11.239  -3.936   2.108
  612   1HG   GLU  75          1HG       GLU  75 -12.763  -5.437   1.221
  613   2HG   GLU  75          2HG       GLU  75 -13.837  -5.329   2.616
  614    H    LEU  76           H        LEU  76  -9.408  -4.851   2.802
  615    HA   LEU  76           HA       LEU  76  -8.887  -7.757   3.217
  616   1HB   LEU  76          1HB       LEU  76  -8.356  -7.992   0.796
  617   2HB   LEU  76          2HB       LEU  76 -10.040  -7.536   1.043
  618    HG   LEU  76           HG       LEU  76  -7.994  -5.368   0.646
  619   1HD1  LEU  76          1HD1      LEU  76  -7.761  -7.193  -1.162
  620   2HD1  LEU  76          3HD1      LEU  76  -9.370  -6.700  -1.683
  621   3HD1  LEU  76          2HD1      LEU  76  -8.041  -5.542  -1.713
  622   1HD2  LEU  76          1HD2      LEU  76 -10.790  -5.506   0.951
  623   2HD2  LEU  76          3HD2      LEU  76  -9.828  -4.094   0.526
  624   3HD2  LEU  76          2HD2      LEU  76 -10.516  -5.106  -0.743
  625    H    GLU  77           H        GLU  77  -7.470  -6.111   4.747
  626    HA   GLU  77           HA       GLU  77  -4.835  -5.996   3.380
  627   1HB   GLU  77          1HB       GLU  77  -4.515  -3.692   4.119
  628   2HB   GLU  77          2HB       GLU  77  -5.964  -3.811   3.136
  629   1HG   GLU  77          1HG       GLU  77  -7.263  -4.055   5.328
  630   2HG   GLU  77          2HG       GLU  77  -5.778  -3.567   6.144
  631    H    GLY  78           H        GLY  78  -3.097  -6.502   4.799
  632   1HA   GLY  78          2HA       GLY  78  -2.146  -7.438   6.741
  633   2HA   GLY  78          1HA       GLY  78  -3.780  -7.646   7.376
  634    H    TRP  79           H        TRP  79  -4.856  -5.470   8.070
  635    HA   TRP  79           HA       TRP  79  -2.917  -3.396   8.907
  636   1HB   TRP  79          1HB       TRP  79  -4.907  -2.076   9.436
  637   2HB   TRP  79          2HB       TRP  79  -5.058  -2.775   7.830
  638    HD1  TRP  79           HD1      TRP  79  -6.957  -4.526   7.418
  639    HE1  TRP  79           HE1      TRP  79  -8.988  -5.284   8.809
  640    HE3  TRP  79           HE3      TRP  79  -5.726  -2.515  11.951
  641    HZ2  TRP  79           HZ2      TRP  79  -9.967  -5.061  11.478
  642    HZ3  TRP  79           HZ3      TRP  79  -7.235  -2.799  13.897
  643    HH2  TRP  79           HH2      TRP  79  -9.353  -4.068  13.661
  644    H    GLU  80           H        GLU  80  -4.693  -6.069  10.401
  645    HA   GLU  80           HA       GLU  80  -4.820  -5.229  13.106
  646   1HB   GLU  80          1HB       GLU  80  -5.675  -7.387  12.195
  647   2HB   GLU  80          2HB       GLU  80  -4.015  -7.963  12.041
  648   1HG   GLU  80          1HG       GLU  80  -3.806  -7.406  14.564
  649   2HG   GLU  80          2HG       GLU  80  -5.569  -7.368  14.555
  650    H    GLU  81           H        GLU  81  -1.956  -6.335  11.248
  651    HA   GLU  81           HA       GLU  81  -0.226  -6.281  13.649
  652   1HB   GLU  81          1HB       GLU  81   0.090  -6.853  10.709
  653   2HB   GLU  81          2HB       GLU  81   1.528  -6.544  11.683
  654   1HG   GLU  81          1HG       GLU  81  -0.577  -8.583  12.444
  655   2HG   GLU  81          2HG       GLU  81   0.868  -8.986  11.514
  656    H    LEU  82           H        LEU  82  -0.809  -4.236  10.753
  657    HA   LEU  82           HA       LEU  82   1.261  -2.333  11.022
  658   1HB   LEU  82          1HB       LEU  82  -1.225  -2.556   9.630
  659   2HB   LEU  82          2HB       LEU  82  -1.240  -0.987  10.427
  660    HG   LEU  82           HG       LEU  82   1.293  -1.001   9.463
  661   1HD1  LEU  82          1HD1      LEU  82   0.895  -3.205   8.347
  662   2HD1  LEU  82          3HD1      LEU  82  -0.373  -2.448   7.383
  663   3HD1  LEU  82          2HD1      LEU  82   1.300  -1.920   7.209
  664   1HD2  LEU  82          2HD2      LEU  82  -0.411   0.770   9.162
  665   2HD2  LEU  82          1HD2      LEU  82   0.420   0.427   7.645
  666   3HD2  LEU  82          3HD2      LEU  82  -1.202  -0.207   7.925
  667    H    GLU  83           H        GLU  83   0.741   0.114  11.789
  668    HA   GLU  83           HA       GLU  83  -0.128  -0.113  14.647
  669   1HB   GLU  83          1HB       GLU  83   1.519   1.916  13.101
  670   2HB   GLU  83          2HB       GLU  83   1.116   2.081  14.811
  671   1HG   GLU  83          1HG       GLU  83   2.113  -0.325  15.023
  672   2HG   GLU  83          2HG       GLU  83   2.884   0.043  13.479
  673    H    ASP  84           H        ASP  84  -1.464   1.701  15.549
  674    HA   ASP  84           HA       ASP  84  -3.790   2.275  13.971
  675   1HB   ASP  84          1HB       ASP  84  -3.534   2.312  16.509
  676   2HB   ASP  84          2HB       ASP  84  -2.774   3.894  16.325
  677    H    ASN  85           H        ASN  85  -0.922   4.306  14.689
  678    HA   ASN  85           HA       ASN  85  -1.853   6.661  13.314
  679   1HB   ASN  85          1HB       ASN  85   0.954   5.598  13.800
  680   2HB   ASN  85          2HB       ASN  85   0.596   7.237  13.253
  681   1HD2  ASN  85          2HD2      ASN  85   1.346   8.299  15.234
  682   2HD2  ASN  85          1HD2      ASN  85   0.525   8.106  16.708
  683    H    GLU  86           H        GLU  86   0.032   3.841  12.161
  684    HA   GLU  86           HA       GLU  86   0.378   4.850   9.457
  685   1HB   GLU  86          1HB       GLU  86   0.356   2.028  10.589
  686   2HB   GLU  86          2HB       GLU  86   0.904   2.441   8.964
  687   1HG   GLU  86          1HG       GLU  86   2.730   3.725   9.794
  688   2HG   GLU  86          2HG       GLU  86   2.070   3.746  11.429
  689    H    LYS  87           H        LYS  87  -2.096   2.774  11.004
  690    HA   LYS  87           HA       LYS  87  -3.588   2.159   8.626
  691   1HB   LYS  87          1HB       LYS  87  -3.799   1.191  11.005
  692   2HB   LYS  87          2HB       LYS  87  -4.778   2.611  11.375
  693   1HG   LYS  87          1HG       LYS  87  -6.299   2.026   9.499
  694   2HG   LYS  87          2HG       LYS  87  -5.345   0.572   9.203
  695   1HD   LYS  87          1HD       LYS  87  -6.064  -0.465  11.150
  696   2HD   LYS  87          2HD       LYS  87  -6.385   1.064  11.969
  697   1HE   LYS  87          1HE       LYS  87  -8.234   1.358  10.117
  698   2HE   LYS  87          2HE       LYS  87  -8.099  -0.407   9.982
  699   1HZ   LYS  87          3HZ       LYS  87  -8.319  -0.541  12.410
  700   2HZ   LYS  87          2HZ       LYS  87  -8.563   1.139  12.480
  701   3HZ   LYS  87          1HZ       LYS  87  -9.693   0.146  11.691
  702    H    GLU  88           H        GLU  88  -3.758   4.961  10.857
  703    HA   GLU  88           HA       GLU  88  -6.100   6.199   9.764
  704   1HB   GLU  88          1HB       GLU  88  -3.662   7.096  11.257
  705   2HB   GLU  88          2HB       GLU  88  -4.675   8.343  10.525
  706   1HG   GLU  88          1HG       GLU  88  -5.862   6.146  12.221
  707   2HG   GLU  88          2HG       GLU  88  -5.243   7.633  12.942
  708    H    GLN  89           H        GLN  89  -2.669   6.404   8.719
  709    HA   GLN  89           HA       GLN  89  -3.025   8.424   6.712
  710   1HB   GLN  89          1HB       GLN  89  -1.061   6.240   7.281
  711   2HB   GLN  89          2HB       GLN  89  -1.013   6.970   5.675
  712   1HG   GLN  89          1HG       GLN  89  -1.131   9.229   7.063
  713   2HG   GLN  89          2HG       GLN  89  -0.455   8.216   8.339
  714   1HE2  GLN  89          1HE2      GLN  89   1.701   9.220   8.234
  715   2HE2  GLN  89          2HE2      GLN  89   2.711   8.985   6.891
  716    H    ILE  90           H        ILE  90  -3.565   4.892   6.573
  717    HA   ILE  90           HA       ILE  90  -3.998   4.808   3.694
  718    HB   ILE  90           HB       ILE  90  -4.978   2.974   5.919
  719   1HG1  ILE  90          1HG1      ILE  90  -2.523   3.167   5.882
  720   2HG1  ILE  90          2HG1      ILE  90  -3.014   1.584   5.290
  721   1HG2  ILE  90          1HG2      ILE  90  -6.095   2.848   3.582
  722   2HG2  ILE  90          3HG2      ILE  90  -4.548   2.208   3.032
  723   3HG2  ILE  90          2HG2      ILE  90  -5.465   1.354   4.272
  724   1HD1  ILE  90          3HD1      ILE  90  -2.834   2.478   2.944
  725   2HD1  ILE  90          2HD1      ILE  90  -2.163   3.964   3.616
  726   3HD1  ILE  90          1HD1      ILE  90  -1.298   2.440   3.810
  727    H    THR  91           H        THR  91  -6.189   5.254   6.513
  728    HA   THR  91           HA       THR  91  -8.656   5.190   5.032
  729    HB   THR  91           HB       THR  91  -9.561   6.435   6.984
  730    HG1  THR  91           HG1      THR  91  -8.186   7.286   8.473
  731   1HG2  THR  91          2HG2      THR  91  -8.792   3.936   7.029
  732   2HG2  THR  91          1HG2      THR  91  -7.510   4.533   8.084
  733   3HG2  THR  91          3HG2      THR  91  -9.200   4.733   8.548
  734    H    GLN  92           H        GLN  92  -6.371   7.870   5.700
  735    HA   GLN  92           HA       GLN  92  -7.929  10.018   4.625
  736   1HB   GLN  92          1HB       GLN  92  -5.595   9.961   5.824
  737   2HB   GLN  92          2HB       GLN  92  -4.949   9.792   4.191
  738   1HG   GLN  92          1HG       GLN  92  -4.965  12.116   4.474
  739   2HG   GLN  92          2HG       GLN  92  -6.498  11.832   3.648
  740   1HE2  GLN  92          1HE2      GLN  92  -8.212  12.961   4.637
  741   2HE2  GLN  92          2HE2      GLN  92  -8.319  13.281   6.301
  742    H    HIS  93           H        HIS  93  -5.868   7.593   2.963
  743    HA   HIS  93           HA       HIS  93  -5.890   8.758   0.344
  744   1HB   HIS  93          1HB       HIS  93  -5.605   6.003   1.501
  745   2HB   HIS  93          2HB       HIS  93  -5.834   6.144  -0.241
  746    HD1  HIS  93           HD1      HIS  93  -3.923   7.161  -1.620
  747    HD2  HIS  93           HD2      HIS  93  -3.147   7.108   2.474
  748    HE1  HIS  93           HE1      HIS  93  -1.457   7.661  -1.350
  749    H    ILE  94           H        ILE  94  -8.119   6.248   1.698
  750    HA   ILE  94           HA       ILE  94  -9.892   6.260  -0.580
  751    HB   ILE  94           HB       ILE  94 -10.310   5.512   2.339
  752   1HG1  ILE  94          1HG1      ILE  94 -10.361   3.265   0.594
  753   2HG1  ILE  94          2HG1      ILE  94  -8.997   4.253   0.078
  754   1HG2  ILE  94          1HG2      ILE  94 -12.145   5.389  -0.027
  755   2HG2  ILE  94          3HG2      ILE  94 -12.188   4.063   1.135
  756   3HG2  ILE  94          2HG2      ILE  94 -12.522   5.712   1.665
  757   1HD1  ILE  94          2HD1      ILE  94  -8.519   4.372   2.684
  758   2HD1  ILE  94          1HD1      ILE  94  -9.461   2.880   2.699
  759   3HD1  ILE  94          3HD1      ILE  94  -7.988   2.986   1.731
  760    H    ALA  95           H        ALA  95  -9.876   8.187   2.439
  761    HA   ALA  95           HA       ALA  95 -12.407   9.517   1.902
  762   1HB   ALA  95          3HB       ALA  95 -10.203  10.820   3.473
  763   2HB   ALA  95          2HB       ALA  95 -11.925  10.723   3.843
  764   3HB   ALA  95          1HB       ALA  95 -10.892   9.314   4.080
  765    H    ASP  96           H        ASP  96  -9.000  10.284   1.103
  766    HA   ASP  96           HA       ASP  96  -9.588  12.924   0.008
  767   1HB   ASP  96          1HB       ASP  96  -7.297  10.965  -0.126
  768   2HB   ASP  96          2HB       ASP  96  -7.287  12.394  -1.160
  769    H    LEU  97           H        LEU  97  -9.358   9.632  -1.414
  770    HA   LEU  97           HA       LEU  97  -9.794  10.619  -4.154
  771   1HB   LEU  97          1HB       LEU  97  -8.518   8.542  -3.576
  772   2HB   LEU  97          2HB       LEU  97 -10.019   7.815  -2.998
  773    HG   LEU  97           HG       LEU  97 -10.839   8.614  -5.439
  774   1HD1  LEU  97          3HD1      LEU  97  -8.583   9.525  -5.981
  775   2HD1  LEU  97          2HD1      LEU  97  -7.908   7.908  -5.783
  776   3HD1  LEU  97          1HD1      LEU  97  -9.062   8.229  -7.077
  777   1HD2  LEU  97          3HD2      LEU  97  -9.292   6.081  -4.798
  778   2HD2  LEU  97          2HD2      LEU  97 -11.020   6.335  -4.550
  779   3HD2  LEU  97          1HD2      LEU  97 -10.362   6.284  -6.185
  780    H    SER  98           H        SER  98 -11.858   9.304  -1.534
  781    HA   SER  98           HA       SER  98 -14.218   9.334  -3.359
  782   1HB   SER  98          1HB       SER  98 -13.860   7.401  -1.877
  783   2HB   SER  98          2HB       SER  98 -13.831   8.462  -0.471
  784    HG   SER  98           HG       SER  98 -15.986   7.890  -2.223
  785    H    SER  99           H        SER  99 -13.379  11.937  -3.087
  786    HA   SER  99           HA       SER  99 -15.213  13.088  -1.004
  787   1HB   SER  99          1HB       SER  99 -12.492  13.843  -2.051
  788   2HB   SER  99          2HB       SER  99 -13.531  15.073  -1.335
  789    HG   SER  99           HG       SER  99 -12.037  13.862   0.102
  790    H    LYS 100           H        LYS 100 -16.109  12.354  -3.694
  791    HA   LYS 100           HA       LYS 100 -16.716  15.091  -4.749
  792   1HB   LYS 100          1HB       LYS 100 -14.891  13.989  -6.033
  793   2HB   LYS 100          2HB       LYS 100 -15.956  12.615  -6.337
  794   1HG   LYS 100          1HG       LYS 100 -16.365  13.817  -8.262
  795   2HG   LYS 100          2HG       LYS 100 -17.576  14.557  -7.215
  796   1HD   LYS 100          1HD       LYS 100 -15.861  16.300  -6.598
  797   2HD   LYS 100          2HD       LYS 100 -14.812  15.622  -7.843
  798   1HE   LYS 100          1HE       LYS 100 -16.470  16.111  -9.572
  799   2HE   LYS 100          2HE       LYS 100 -17.615  16.689  -8.344
  800   1HZ   LYS 100          3HZ       LYS 100 -15.850  18.269  -7.624
  801   2HZ   LYS 100          2HZ       LYS 100 -14.948  17.823  -8.993
  802   3HZ   LYS 100          1HZ       LYS 100 -16.458  18.580  -9.177
  803    H    ALA 101           H        ALA 101 -18.929  15.348  -5.195
  804    HA   ALA 101           HA       ALA 101 -20.587  12.865  -5.464
  805   1HB   ALA 101          1HB       ALA 101 -21.552  15.274  -3.952
  806   2HB   ALA 101          3HB       ALA 101 -22.005  13.582  -3.752
  807   3HB   ALA 101          2HB       ALA 101 -20.447  14.153  -3.156
  808    H    ALA 102           H        ALA 102 -21.107  13.150  -7.695
  809    HA   ALA 102           HA       ALA 102 -22.653  15.628  -8.340
  810   1HB   ALA 102          3HB       ALA 102 -20.179  15.635  -9.048
  811   2HB   ALA 102          1HB       ALA 102 -21.356  15.955 -10.321
  812   3HB   ALA 102          2HB       ALA 102 -20.616  14.360 -10.186
  813    H    GLY 103           H        GLY 103 -24.041  13.329  -7.739
  814   1HA   GLY 103          2HA       GLY 103 -25.329  12.679 -10.254
  815   2HA   GLY 103          1HA       GLY 103 -25.725  11.986  -8.680
  816    H    THR 104           H        THR 104 -24.241  10.213  -7.880
  817    HA   THR 104           HA       THR 104 -23.009   8.730 -10.184
  818    HB   THR 104           HB       THR 104 -21.407   7.910  -8.378
  819    HG1  THR 104           HG1      THR 104 -22.530   8.405  -6.552
  820   1HG2  THR 104          1HG2      THR 104 -21.533  10.880  -8.968
  821   2HG2  THR 104          3HG2      THR 104 -20.112  10.035  -8.352
  822   3HG2  THR 104          2HG2      THR 104 -20.741   9.651  -9.955
  823    HA   PRO 105           HA       PRO 105 -25.694   5.452  -8.917
  824   1HB   PRO 105          1HB       PRO 105 -24.327   3.284  -9.876
  825   2HB   PRO 105          2HB       PRO 105 -25.214   4.407 -10.926
  826   1HG   PRO 105          1HG       PRO 105 -22.296   4.240 -10.369
  827   2HG   PRO 105          2HG       PRO 105 -23.139   4.599 -11.884
  828   1HD   PRO 105          1HD       PRO 105 -21.987   6.506 -10.306
  829   2HD   PRO 105          2HD       PRO 105 -23.363   6.818 -11.386
  830    H    LYS 106           H        LYS 106 -25.493   3.196  -7.668
  831    HA   LYS 106           HA       LYS 106 -23.247   3.370  -5.684
  832   1HB   LYS 106          1HB       LYS 106 -26.208   3.393  -5.399
  833   2HB   LYS 106          2HB       LYS 106 -25.326   2.414  -4.225
  834   1HG   LYS 106          1HG       LYS 106 -23.872   4.383  -3.734
  835   2HG   LYS 106          2HG       LYS 106 -24.866   5.351  -4.823
  836   1HD   LYS 106          1HD       LYS 106 -26.189   3.805  -2.616
  837   2HD   LYS 106          2HD       LYS 106 -25.396   5.336  -2.244
  838   1HE   LYS 106          1HE       LYS 106 -26.851   6.571  -3.637
  839   2HE   LYS 106          2HE       LYS 106 -27.358   5.125  -4.535
  840   1HZ   LYS 106          2HZ       LYS 106 -27.857   5.609  -1.644
  841   2HZ   LYS 106          1HZ       LYS 106 -29.017   5.784  -2.874
  842   3HZ   LYS 106          3HZ       LYS 106 -28.367   4.254  -2.534
  843    H    LYS 107           H        LYS 107 -22.436   1.614  -7.350
  844    HA   LYS 107           HA       LYS 107 -22.071  -0.658  -7.871
  845   1HB   LYS 107          1HB       LYS 107 -21.781  -0.378  -5.302
  846   2HB   LYS 107          2HB       LYS 107 -23.333  -1.207  -5.185
  847   1HG   LYS 107          1HG       LYS 107 -22.487  -3.203  -5.996
  848   2HG   LYS 107          2HG       LYS 107 -21.225  -2.406  -6.935
  849   1HD   LYS 107          1HD       LYS 107 -20.421  -1.688  -4.472
  850   2HD   LYS 107          2HD       LYS 107 -21.234  -3.200  -4.066
  851   1HE   LYS 107          1HE       LYS 107 -19.886  -4.214  -6.050
  852   2HE   LYS 107          2HE       LYS 107 -18.861  -2.775  -5.880
  853   1HZ   LYS 107          2HZ       LYS 107 -19.616  -4.608  -3.664
  854   2HZ   LYS 107          1HZ       LYS 107 -18.107  -4.600  -4.446
  855   3HZ   LYS 107          3HZ       LYS 107 -18.599  -3.254  -3.540
  856    H    LYS 108           H        LYS 108 -24.641   0.418  -8.806
  857    HA   LYS 108           HA       LYS 108 -26.189  -2.136  -8.869
  858   1HB   LYS 108          1HB       LYS 108 -26.906  -0.261  -7.145
  859   2HB   LYS 108          2HB       LYS 108 -27.590   0.505  -8.578
  860   1HG   LYS 108          1HG       LYS 108 -29.012  -1.359  -9.018
  861   2HG   LYS 108          2HG       LYS 108 -28.152  -2.379  -7.864
  862   1HD   LYS 108          1HD       LYS 108 -29.162  -1.405  -6.033
  863   2HD   LYS 108          2HD       LYS 108 -29.356   0.153  -6.838
  864   1HE   LYS 108          1HE       LYS 108 -30.884  -2.107  -8.025
  865   2HE   LYS 108          2HE       LYS 108 -31.437  -1.532  -6.440
  866   1HZ   LYS 108          1HZ       LYS 108 -31.280   0.759  -7.330
  867   2HZ   LYS 108          3HZ       LYS 108 -30.955   0.116  -8.866
  868   3HZ   LYS 108          2HZ       LYS 108 -32.452  -0.183  -8.120
  869    H    ALA 109           H        ALA 109 -26.657  -2.619 -11.022
  870    HA   ALA 109           HA       ALA 109 -26.715  -0.332 -12.969
  871   1HB   ALA 109          1HB       ALA 109 -26.056  -3.181 -13.676
  872   2HB   ALA 109          3HB       ALA 109 -25.516  -1.693 -14.454
  873   3HB   ALA 109          2HB       ALA 109 -24.832  -2.173 -12.900
  874    H    VAL 110           H        VAL 110 -28.965  -0.013 -13.282
  875    HA   VAL 110           HA       VAL 110 -30.529  -2.437 -14.112
  876    HB   VAL 110           HB       VAL 110 -31.398  -0.073 -12.410
  877   1HG1  VAL 110          2HG1      VAL 110 -33.203  -0.971 -13.858
  878   2HG1  VAL 110          1HG1      VAL 110 -32.901  -2.585 -13.212
  879   3HG1  VAL 110          3HG1      VAL 110 -33.506  -1.310 -12.154
  880   1HG2  VAL 110          3HG2      VAL 110 -30.506  -2.871 -11.812
  881   2HG2  VAL 110          2HG2      VAL 110 -30.199  -1.385 -10.915
  882   3HG2  VAL 110          1HG2      VAL 110 -31.777  -2.168 -10.812
  883    H    VAL 111           H        VAL 111 -30.495  -1.987 -16.387
  884    HA   VAL 111           HA       VAL 111 -31.889   0.536 -17.189
  885    HB   VAL 111           HB       VAL 111 -30.197   0.769 -19.003
  886   1HG1  VAL 111          1HG1      VAL 111 -29.956   1.803 -16.670
  887   2HG1  VAL 111          3HG1      VAL 111 -28.794   0.519 -16.338
  888   3HG1  VAL 111          2HG1      VAL 111 -28.481   1.680 -17.628
  889   1HG2  VAL 111          3HG2      VAL 111 -29.607  -1.679 -19.068
  890   2HG2  VAL 111          2HG2      VAL 111 -28.200  -0.618 -19.008
  891   3HG2  VAL 111          1HG2      VAL 111 -28.733  -1.461 -17.553
  892    H    GLN 112           H        GLN 112 -33.306   0.248 -18.992
  893    HA   GLN 112           HA       GLN 112 -33.338  -2.489 -20.223
  894   1HB   GLN 112          1HB       GLN 112 -35.621  -0.746 -19.240
  895   2HB   GLN 112          2HB       GLN 112 -35.836  -2.252 -20.132
  896   1HG   GLN 112          1HG       GLN 112 -34.213  -2.121 -17.587
  897   2HG   GLN 112          2HG       GLN 112 -35.953  -2.411 -17.571
  898   1HE2  GLN 112          1HE2      GLN 112 -36.730  -4.401 -18.815
  899   2HE2  GLN 112          2HE2      GLN 112 -35.660  -5.706 -18.997
  900    H    ALA 113           H        ALA 113 -32.253  -1.615 -22.160
  901    HA   ALA 113           HA       ALA 113 -33.930   0.341 -23.705
  902   1HB   ALA 113          3HB       ALA 113 -31.435   0.727 -22.803
  903   2HB   ALA 113          2HB       ALA 113 -31.037  -0.139 -24.287
  904   3HB   ALA 113          1HB       ALA 113 -31.959   1.363 -24.362
  905    H    LYS 114           H        LYS 114 -34.898  -0.604 -25.507
  906    HA   LYS 114           HA       LYS 114 -33.520  -2.973 -26.739
  907   1HB   LYS 114          1HB       LYS 114 -36.426  -2.342 -26.174
  908   2HB   LYS 114          2HB       LYS 114 -35.947  -3.612 -27.301
  909   1HG   LYS 114          1HG       LYS 114 -34.824  -3.510 -24.504
  910   2HG   LYS 114          2HG       LYS 114 -36.370  -4.292 -24.837
  911   1HD   LYS 114          1HD       LYS 114 -35.252  -5.709 -26.551
  912   2HD   LYS 114          2HD       LYS 114 -33.708  -4.973 -26.120
  913   1HE   LYS 114          1HE       LYS 114 -33.817  -5.870 -23.877
  914   2HE   LYS 114          2HE       LYS 114 -35.482  -6.428 -24.131
  915   1HZ   LYS 114          1HZ       LYS 114 -33.191  -7.275 -25.818
  916   2HZ   LYS 114          3HZ       LYS 114 -33.754  -8.174 -24.494
  917   3HZ   LYS 114          2HZ       LYS 114 -34.769  -7.906 -25.831
  918    H    LEU 115           H        LEU 115 -32.556  -1.949 -28.566
  919    HA   LEU 115           HA       LEU 115 -34.427  -0.408 -30.340
  920   1HB   LEU 115          1HB       LEU 115 -32.554   0.832 -29.138
  921   2HB   LEU 115          2HB       LEU 115 -31.420  -0.122 -30.094
  922    HG   LEU 115           HG       LEU 115 -32.893   0.714 -32.118
  923   1HD1  LEU 115          2HD1      LEU 115 -34.552   1.805 -30.568
  924   2HD1  LEU 115          1HD1      LEU 115 -33.288   2.945 -30.104
  925   3HD1  LEU 115          3HD1      LEU 115 -33.871   2.903 -31.769
  926   1HD2  LEU 115          3HD2      LEU 115 -30.458   1.245 -31.530
  927   2HD2  LEU 115          2HD2      LEU 115 -31.307   2.467 -32.478
  928   3HD2  LEU 115          1HD2      LEU 115 -31.069   2.702 -30.747
  929    H    THR 116           H        THR 116 -34.926  -1.795 -32.065
  930    HA   THR 116           HA       THR 116 -32.635  -3.117 -33.451
  931    HB   THR 116           HB       THR 116 -33.634  -4.740 -31.894
  932    HG1  THR 116           HG1      THR 116 -33.927  -6.299 -33.386
  933   1HG2  THR 116          1HG2      THR 116 -36.214  -4.039 -33.323
  934   2HG2  THR 116          3HG2      THR 116 -36.025  -5.413 -32.234
  935   3HG2  THR 116          2HG2      THR 116 -35.843  -3.769 -31.620
  936    H    THR 117           H        THR 117 -32.974  -3.317 -35.750
  937    HA   THR 117           HA       THR 117 -33.885  -2.688 -37.833
  938    HB   THR 117           HB       THR 117 -36.481  -3.156 -36.334
  939    HG1  THR 117           HG1      THR 117 -35.306  -4.948 -35.980
  940   1HG2  THR 117          2HG2      THR 117 -35.668  -2.952 -39.190
  941   2HG2  THR 117          1HG2      THR 117 -36.848  -4.197 -38.784
  942   3HG2  THR 117          3HG2      THR 117 -37.190  -2.505 -38.418

  No H/Q in entry =         942
  Start of MODEL   27
    1    H1   MET   1           H        MET   1 -19.267 -13.336 -11.288
    2    H2   MET   1           HN2      MET   1 -18.025 -12.957 -12.384
    3    HA   MET   1           HA       MET   1 -17.684 -14.594  -9.920
    4   1HB   MET   1          1HB       MET   1 -18.353 -15.116 -12.787
    5   2HB   MET   1          2HB       MET   1 -17.280 -16.260 -11.980
    6   1HG   MET   1          1HG       MET   1 -19.010 -16.342 -10.099
    7   2HG   MET   1          2HG       MET   1 -20.097 -15.489 -11.195
    8   1HE   MET   1          2HE       MET   1 -17.876 -18.344 -10.472
    9   2HE   MET   1          1HE       MET   1 -18.351 -19.682 -11.514
   10   3HE   MET   1          3HE       MET   1 -17.356 -18.367 -12.155
   11    H    ALA   2           H        ALA   2 -15.766 -13.009  -9.607
   12    HA   ALA   2           HA       ALA   2 -13.503 -13.761 -11.434
   13   1HB   ALA   2          3HB       ALA   2 -13.522 -11.231  -9.840
   14   2HB   ALA   2          1HB       ALA   2 -14.595 -11.326 -11.236
   15   3HB   ALA   2          2HB       ALA   2 -12.856 -11.535 -11.443
   16    H    GLU   3           H        GLU   3 -11.290 -13.325 -10.162
   17    HA   GLU   3           HA       GLU   3 -11.555 -13.958  -7.262
   18   1HB   GLU   3          1HB       GLU   3 -11.358 -15.947  -9.082
   19   2HB   GLU   3          2HB       GLU   3  -9.645 -15.594  -8.855
   20   1HG   GLU   3          1HG       GLU   3 -11.422 -15.889  -6.452
   21   2HG   GLU   3          2HG       GLU   3 -10.826 -17.331  -7.275
   22    H    GLN   4           H        GLN   4 -10.591 -11.747  -7.031
   23    HA   GLN   4           HA       GLN   4  -7.691 -11.657  -7.806
   24   1HB   GLN   4          1HB       GLN   4  -9.890  -9.598  -7.606
   25   2HB   GLN   4          2HB       GLN   4  -8.194  -9.114  -7.567
   26   1HG   GLN   4          1HG       GLN   4  -7.839  -9.676  -9.765
   27   2HG   GLN   4          2HG       GLN   4  -8.996 -11.006  -9.721
   28   1HE2  GLN   4          1HE2      GLN   4 -10.301 -10.331 -11.557
   29   2HE2  GLN   4          2HE2      GLN   4 -11.192  -8.886 -11.543
   30    H    ARG   5           H        ARG   5  -6.262 -10.552  -6.176
   31    HA   ARG   5           HA       ARG   5  -7.434 -10.525  -3.416
   32   1HB   ARG   5          1HB       ARG   5  -5.699 -12.426  -4.519
   33   2HB   ARG   5          2HB       ARG   5  -4.639 -11.373  -3.582
   34   1HG   ARG   5          1HG       ARG   5  -5.284 -12.767  -1.879
   35   2HG   ARG   5          2HG       ARG   5  -6.645 -11.648  -1.805
   36   1HD   ARG   5          1HD       ARG   5  -8.066 -13.123  -3.026
   37   2HD   ARG   5          2HD       ARG   5  -6.696 -14.120  -3.557
   38    HE   ARG   5           HE       ARG   5  -7.924 -14.172  -0.880
   39   1HH1  ARG   5          1HH1      ARG   5  -5.464 -14.207   0.259
   40   2HH1  ARG   5          2HH1      ARG   5  -4.740 -15.743  -0.088
   41   1HH2  ARG   5          1HH2      ARG   5  -6.901 -16.470  -2.700
   42   2HH2  ARG   5          2HH2      ARG   5  -5.554 -17.023  -1.763
   43    H    PHE   6           H        PHE   6  -6.591  -8.880  -2.044
   44    HA   PHE   6           HA       PHE   6  -4.326  -7.203  -3.022
   45   1HB   PHE   6          1HB       PHE   6  -7.154  -6.604  -3.273
   46   2HB   PHE   6          2HB       PHE   6  -6.391  -5.427  -2.210
   47    HD1  PHE   6           HD1      PHE   6  -4.302  -4.200  -3.035
   48    HD2  PHE   6           HD2      PHE   6  -6.829  -6.543  -5.597
   49    HE1  PHE   6           HE1      PHE   6  -3.409  -3.007  -5.008
   50    HE2  PHE   6           HE2      PHE   6  -5.929  -5.357  -7.571
   51    HZ   PHE   6           HZ       PHE   6  -4.216  -3.584  -7.282
   52    H    CYS   7           H        CYS   7  -3.153  -6.384  -1.214
   53    HA   CYS   7           HA       CYS   7  -4.550  -6.121   1.408
   54   1HB   CYS   7          1HB       CYS   7  -2.594  -8.252   0.632
   55   2HB   CYS   7          2HB       CYS   7  -2.450  -7.580   2.256
   56    HG   CYS   7           HG       CYS   7  -4.183  -9.522   2.403
   57    H    VAL   8           H        VAL   8  -3.181  -4.871   2.987
   58    HA   VAL   8           HA       VAL   8  -1.108  -3.253   1.567
   59    HB   VAL   8           HB       VAL   8  -1.535  -1.555   3.219
   60   1HG1  VAL   8          2HG1      VAL   8  -3.285  -2.027   1.404
   61   2HG1  VAL   8          1HG1      VAL   8  -4.255  -2.747   2.687
   62   3HG1  VAL   8          3HG1      VAL   8  -3.804  -1.045   2.773
   63   1HG2  VAL   8          2HG2      VAL   8  -2.644  -3.833   4.776
   64   2HG2  VAL   8          1HG2      VAL   8  -1.774  -2.406   5.331
   65   3HG2  VAL   8          3HG2      VAL   8  -3.490  -2.295   4.945
   66    H    ASP   9           H        ASP   9   1.058  -3.320   2.196
   67    HA   ASP   9           HA       ASP   9   1.722  -4.724   4.759
   68   1HB   ASP   9          1HB       ASP   9   2.498  -5.303   1.921
   69   2HB   ASP   9          2HB       ASP   9   3.687  -5.608   3.189
   70    H    TYR  10           H        TYR  10   3.871  -4.118   5.597
   71    HA   TYR  10           HA       TYR  10   4.726  -1.404   4.636
   72   1HB   TYR  10          1HB       TYR  10   4.234  -2.673   7.203
   73   2HB   TYR  10          2HB       TYR  10   5.875  -2.036   7.146
   74    HD1  TYR  10           HD1      TYR  10   2.787  -1.193   8.276
   75    HD2  TYR  10           HD2      TYR  10   5.797   0.357   5.626
   76    HE1  TYR  10           HE1      TYR  10   1.917   1.104   8.614
   77    HE2  TYR  10           HE2      TYR  10   4.924   2.648   5.970
   78    HH   TYR  10           HH       TYR  10   2.085   3.398   6.968
   79    H    ALA  11           H        ALA  11   7.053  -0.974   4.477
   80    HA   ALA  11           HA       ALA  11   8.596  -3.414   3.721
   81   1HB   ALA  11          1HB       ALA  11   9.779  -0.700   3.477
   82   2HB   ALA  11          2HB       ALA  11   8.299  -0.968   2.557
   83   3HB   ALA  11          3HB       ALA  11   9.703  -2.001   2.290
   84    H    LYS  12           H        LYS  12  10.284  -4.206   5.003
   85    HA   LYS  12           HA       LYS  12  11.062  -2.551   7.385
   86   1HB   LYS  12          1HB       LYS  12  10.845  -5.534   6.894
   87   2HB   LYS  12          2HB       LYS  12  11.575  -4.848   8.347
   88   1HG   LYS  12          1HG       LYS  12   9.395  -5.093   9.083
   89   2HG   LYS  12          2HG       LYS  12   9.303  -3.464   8.409
   90   1HD   LYS  12          1HD       LYS  12   8.114  -4.150   6.546
   91   2HD   LYS  12          2HD       LYS  12   8.798  -5.775   6.578
   92   1HE   LYS  12          1HE       LYS  12   7.040  -4.911   8.858
   93   2HE   LYS  12          2HE       LYS  12   6.290  -5.412   7.328
   94   1HZ   LYS  12          3HZ       LYS  12   8.366  -6.964   8.785
   95   2HZ   LYS  12          2HZ       LYS  12   6.701  -7.302   8.833
   96   3HZ   LYS  12          1HZ       LYS  12   7.557  -7.442   7.372
   97    H    ARG  13           H        ARG  13  12.411  -5.156   5.246
   98    HA   ARG  13           HA       ARG  13  14.998  -3.651   5.235
   99   1HB   ARG  13          1HB       ARG  13  14.651  -5.656   6.927
  100   2HB   ARG  13          2HB       ARG  13  14.925  -6.643   5.490
  101   1HG   ARG  13          1HG       ARG  13  17.047  -5.412   5.081
  102   2HG   ARG  13          2HG       ARG  13  16.784  -4.505   6.571
  103   1HD   ARG  13          1HD       ARG  13  16.713  -6.712   7.809
  104   2HD   ARG  13          2HD       ARG  13  17.232  -7.495   6.302
  105    HE   ARG  13           HE       ARG  13  18.817  -5.361   7.686
  106   1HH1  ARG  13          1HH1      ARG  13  18.770  -6.922   4.779
  107   2HH1  ARG  13          2HH1      ARG  13  20.335  -7.652   4.913
  108   1HH2  ARG  13          1HH2      ARG  13  20.726  -6.822   8.257
  109   2HH2  ARG  13          2HH2      ARG  13  21.442  -7.596   6.883
  110    H    GLY  14           H        GLY  14  15.058  -3.135   3.005
  111   1HA   GLY  14          2HA       GLY  14  14.403  -5.317   1.080
  112   2HA   GLY  14          1HA       GLY  14  15.958  -4.491   0.961
  113    H    THR  15           H        THR  15  15.407  -3.625  -1.167
  114    HA   THR  15           HA       THR  15  13.376  -1.413  -1.049
  115    HB   THR  15           HB       THR  15  15.919  -1.708  -2.687
  116    HG1  THR  15           HG1      THR  15  16.824  -0.392  -1.209
  117   1HG2  THR  15          3HG2      THR  15  13.691  -0.100  -3.164
  118   2HG2  THR  15          2HG2      THR  15  14.814   0.969  -2.323
  119   3HG2  THR  15          1HG2      THR  15  15.314   0.156  -3.805
  120    H    ALA  16           H        ALA  16  11.851  -1.311  -2.781
  121    HA   ALA  16           HA       ALA  16  12.176  -3.297  -4.990
  122   1HB   ALA  16          3HB       ALA  16   9.502  -3.404  -4.467
  123   2HB   ALA  16          1HB       ALA  16  10.138  -3.119  -2.847
  124   3HB   ALA  16          2HB       ALA  16  10.674  -4.523  -3.771
  125    H    GLY  17           H        GLY  17  11.764  -2.359  -6.981
  126   1HA   GLY  17          2HA       GLY  17  11.091  -0.750  -8.539
  127   2HA   GLY  17          1HA       GLY  17  11.071   0.406  -7.206
  128    H    CYS  18           H        CYS  18   9.069   1.332  -6.968
  129    HA   CYS  18           HA       CYS  18   6.657  -0.185  -6.532
  130   1HB   CYS  18          1HB       CYS  18   6.920   2.076  -5.718
  131   2HB   CYS  18          2HB       CYS  18   7.238   2.687  -7.334
  132    H    LYS  19           H        LYS  19   5.260  -1.154  -8.020
  133    HA   LYS  19           HA       LYS  19   5.886  -1.282 -10.833
  134   1HB   LYS  19          1HB       LYS  19   4.358  -2.763  -9.243
  135   2HB   LYS  19          2HB       LYS  19   3.085  -1.679  -9.804
  136   1HG   LYS  19          1HG       LYS  19   3.005  -3.386 -11.402
  137   2HG   LYS  19          2HG       LYS  19   4.053  -2.201 -12.184
  138   1HD   LYS  19          1HD       LYS  19   6.005  -3.464 -11.061
  139   2HD   LYS  19          2HD       LYS  19   4.837  -4.756 -10.781
  140   1HE   LYS  19          1HE       LYS  19   4.308  -4.482 -13.341
  141   2HE   LYS  19          2HE       LYS  19   5.909  -3.716 -13.395
  142   1HZ   LYS  19          1HZ       LYS  19   6.747  -5.657 -12.109
  143   2HZ   LYS  19          3HZ       LYS  19   5.243  -6.409 -12.334
  144   3HZ   LYS  19          2HZ       LYS  19   6.221  -6.050 -13.676
  145    H    LYS  20           H        LYS  20   4.926  -0.130 -12.646
  146    HA   LYS  20           HA       LYS  20   4.054   1.804 -13.703
  147   1HB   LYS  20          1HB       LYS  20   2.132   1.225 -11.430
  148   2HB   LYS  20          2HB       LYS  20   1.820   2.496 -12.614
  149   1HG   LYS  20          1HG       LYS  20   2.433   0.480 -14.298
  150   2HG   LYS  20          2HG       LYS  20   1.783  -0.459 -12.954
  151   1HD   LYS  20          1HD       LYS  20  -0.186  -0.017 -14.071
  152   2HD   LYS  20          2HD       LYS  20  -0.114   1.422 -13.055
  153   1HE   LYS  20          1HE       LYS  20   1.162   2.547 -14.977
  154   2HE   LYS  20          2HE       LYS  20   0.652   1.170 -15.973
  155   1HZ   LYS  20          1HZ       LYS  20  -1.648   1.587 -15.155
  156   2HZ   LYS  20          3HZ       LYS  20  -1.094   3.029 -14.454
  157   3HZ   LYS  20          2HZ       LYS  20  -1.031   2.827 -16.140
  158    H    CYS  21           H        CYS  21   6.251   2.411 -12.051
  159    HA   CYS  21           HA       CYS  21   5.660   5.189 -11.255
  160   1HB   CYS  21          1HB       CYS  21   4.808   3.894  -9.376
  161   2HB   CYS  21          2HB       CYS  21   6.295   2.963  -9.296
  162    H    LYS  22           H        LYS  22   7.676   6.390 -10.792
  163    HA   LYS  22           HA       LYS  22  10.131   4.965 -11.766
  164   1HB   LYS  22          1HB       LYS  22   8.916   7.364 -12.489
  165   2HB   LYS  22          2HB       LYS  22  10.218   7.888 -11.422
  166   1HG   LYS  22          1HG       LYS  22  11.459   7.764 -13.340
  167   2HG   LYS  22          2HG       LYS  22  11.551   6.055 -12.907
  168   1HD   LYS  22          1HD       LYS  22  10.871   6.225 -15.234
  169   2HD   LYS  22          2HD       LYS  22   9.497   5.653 -14.287
  170   1HE   LYS  22          1HE       LYS  22   8.359   7.693 -14.458
  171   2HE   LYS  22          2HE       LYS  22   9.849   8.610 -14.756
  172   1HZ   LYS  22          2HZ       LYS  22  10.101   7.375 -16.853
  173   2HZ   LYS  22          1HZ       LYS  22   8.596   6.633 -16.588
  174   3HZ   LYS  22          3HZ       LYS  22   8.683   8.310 -16.828
  175    H    GLU  23           H        GLU  23   9.295   4.444  -9.090
  176    HA   GLU  23           HA       GLU  23  11.492   5.750  -7.560
  177   1HB   GLU  23          1HB       GLU  23   8.963   6.672  -7.435
  178   2HB   GLU  23          2HB       GLU  23   8.840   5.379  -6.249
  179   1HG   GLU  23          1HG       GLU  23   9.764   6.780  -4.745
  180   2HG   GLU  23          2HG       GLU  23  11.271   6.650  -5.650
  181    H    LYS  24           H        LYS  24  11.285   4.544  -5.150
  182    HA   LYS  24           HA       LYS  24  10.869   1.609  -5.626
  183   1HB   LYS  24          1HB       LYS  24  13.281   3.086  -4.523
  184   2HB   LYS  24          2HB       LYS  24  13.063   1.342  -4.383
  185   1HG   LYS  24          1HG       LYS  24  13.009   1.099  -6.801
  186   2HG   LYS  24          2HG       LYS  24  13.060   2.851  -7.012
  187   1HD   LYS  24          1HD       LYS  24  15.259   2.644  -5.557
  188   2HD   LYS  24          2HD       LYS  24  15.239   0.982  -6.151
  189   1HE   LYS  24          1HE       LYS  24  15.207   1.763  -8.469
  190   2HE   LYS  24          2HE       LYS  24  15.108   3.450  -7.923
  191   1HZ   LYS  24          2HZ       LYS  24  17.182   3.156  -6.725
  192   2HZ   LYS  24          1HZ       LYS  24  17.287   1.543  -7.248
  193   3HZ   LYS  24          3HZ       LYS  24  17.406   2.807  -8.372
  194    H    ILE  25           H        ILE  25  10.503   0.421  -3.602
  195    HA   ILE  25           HA       ILE  25   9.346   2.169  -1.474
  196    HB   ILE  25           HB       ILE  25   9.169  -0.846  -1.839
  197   1HG1  ILE  25          1HG1      ILE  25   7.192   1.280  -2.739
  198   2HG1  ILE  25          2HG1      ILE  25   8.298   0.438  -3.824
  199   1HG2  ILE  25          2HG2      ILE  25   8.548   0.576   0.356
  200   2HG2  ILE  25          1HG2      ILE  25   7.053   0.810  -0.550
  201   3HG2  ILE  25          3HG2      ILE  25   7.600  -0.820  -0.156
  202   1HD1  ILE  25          2HD1      ILE  25   7.283  -1.735  -2.856
  203   2HD1  ILE  25          1HD1      ILE  25   5.991  -0.700  -2.247
  204   3HD1  ILE  25          3HD1      ILE  25   6.294  -0.807  -3.982
  205    H    VAL  26           H        VAL  26  10.599   2.560   0.338
  206    HA   VAL  26           HA       VAL  26  12.582   0.456   1.167
  207    HB   VAL  26           HB       VAL  26  14.099   2.335   1.714
  208   1HG1  VAL  26          2HG1      VAL  26  13.663   1.256  -0.719
  209   2HG1  VAL  26          1HG1      VAL  26  13.315   2.945  -1.089
  210   3HG1  VAL  26          3HG1      VAL  26  14.888   2.492  -0.432
  211   1HG2  VAL  26          2HG2      VAL  26  12.152   3.974   2.046
  212   2HG2  VAL  26          1HG2      VAL  26  13.559   4.604   1.191
  213   3HG2  VAL  26          3HG2      VAL  26  12.120   4.130   0.289
  214    H    LYS  27           H        LYS  27  13.370   1.016   3.501
  215    HA   LYS  27           HA       LYS  27  11.394   0.602   5.416
  216   1HB   LYS  27          1HB       LYS  27  14.048   2.015   5.480
  217   2HB   LYS  27          2HB       LYS  27  13.065   1.966   6.944
  218   1HG   LYS  27          1HG       LYS  27  13.072  -0.422   6.984
  219   2HG   LYS  27          2HG       LYS  27  13.721  -0.517   5.347
  220   1HD   LYS  27          1HD       LYS  27  15.652  -0.870   6.592
  221   2HD   LYS  27          2HD       LYS  27  15.707   0.881   6.391
  222   1HE   LYS  27          1HE       LYS  27  15.210   1.286   8.607
  223   2HE   LYS  27          2HE       LYS  27  14.188  -0.158   8.745
  224   1HZ   LYS  27          1HZ       LYS  27  16.175  -1.533   8.574
  225   2HZ   LYS  27          3HZ       LYS  27  17.149  -0.147   8.482
  226   3HZ   LYS  27          2HZ       LYS  27  16.285  -0.483   9.906
  227    H    GLY  28           H        GLY  28   9.631   1.781   6.146
  228   1HA   GLY  28          2HA       GLY  28   9.824   4.749   6.134
  229   2HA   GLY  28          1HA       GLY  28   8.675   3.807   7.079
  230    H    VAL  29           H        VAL  29   8.456   2.253   4.175
  231    HA   VAL  29           HA       VAL  29   6.434   4.192   3.117
  232    HB   VAL  29           HB       VAL  29   8.375   2.287   1.761
  233   1HG1  VAL  29          2HG1      VAL  29   6.165   2.169   0.637
  234   2HG1  VAL  29          1HG1      VAL  29   6.165   3.924   0.475
  235   3HG1  VAL  29          3HG1      VAL  29   7.370   2.960  -0.379
  236   1HG2  VAL  29          1HG2      VAL  29   8.097   5.244   2.064
  237   2HG2  VAL  29          3HG2      VAL  29   9.554   4.251   2.013
  238   3HG2  VAL  29          2HG2      VAL  29   8.698   4.639   0.518
  239    H    CYS  30           H        CYS  30   4.341   3.335   2.886
  240    HA   CYS  30           HA       CYS  30   3.967   0.453   3.595
  241   1HB   CYS  30          1HB       CYS  30   2.679   2.222   4.786
  242   2HB   CYS  30          2HB       CYS  30   1.994   2.745   3.250
  243    HG   CYS  30           HG       CYS  30   0.387   0.996   4.512
  244    H    ARG  31           H        ARG  31   3.196  -1.036   2.023
  245    HA   ARG  31           HA       ARG  31   2.416   0.106  -0.640
  246   1HB   ARG  31          1HB       ARG  31   3.874  -1.640  -1.665
  247   2HB   ARG  31          2HB       ARG  31   4.789  -0.512  -0.664
  248   1HG   ARG  31          1HG       ARG  31   4.857  -2.095   1.170
  249   2HG   ARG  31          2HG       ARG  31   3.769  -3.193   0.321
  250   1HD   ARG  31          1HD       ARG  31   5.452  -4.039  -0.969
  251   2HD   ARG  31          2HD       ARG  31   6.196  -2.446  -1.203
  252    HE   ARG  31           HE       ARG  31   7.346  -2.708   0.905
  253   1HH1  ARG  31          1HH1      ARG  31   5.150  -4.198   2.346
  254   2HH1  ARG  31          2HH1      ARG  31   5.854  -5.770   2.528
  255   1HH2  ARG  31          1HH2      ARG  31   8.325  -5.229   0.156
  256   2HH2  ARG  31          2HH2      ARG  31   7.651  -6.353   1.289
  257    H    ILE  32           H        ILE  32   0.955  -1.243  -1.880
  258    HA   ILE  32           HA       ILE  32  -0.398  -3.339  -0.229
  259    HB   ILE  32           HB       ILE  32  -1.438  -2.014  -2.756
  260   1HG1  ILE  32          1HG1      ILE  32  -1.908  -1.098   0.111
  261   2HG1  ILE  32          2HG1      ILE  32  -0.844  -0.272  -1.028
  262   1HG2  ILE  32          1HG2      ILE  32  -2.521  -4.099  -1.855
  263   2HG2  ILE  32          3HG2      ILE  32  -2.892  -3.205  -0.381
  264   3HG2  ILE  32          2HG2      ILE  32  -3.594  -2.700  -1.918
  265   1HD1  ILE  32          1HD1      ILE  32  -3.795  -0.782  -1.506
  266   2HD1  ILE  32          3HD1      ILE  32  -3.129   0.745  -0.921
  267   3HD1  ILE  32          2HD1      ILE  32  -2.712   0.157  -2.533
  268    H    GLY  33           H        GLY  33  -0.462  -5.485  -0.974
  269   1HA   GLY  33          2HA       GLY  33   0.838  -7.153  -2.226
  270   2HA   GLY  33          1HA       GLY  33   0.940  -6.002  -3.561
  271    H    LYS  34           H        LYS  34  -0.324  -6.778  -5.252
  272    HA   LYS  34           HA       LYS  34  -3.067  -7.739  -4.537
  273   1HB   LYS  34          1HB       LYS  34  -3.768  -6.816  -6.637
  274   2HB   LYS  34          2HB       LYS  34  -2.704  -5.623  -5.905
  275   1HG   LYS  34          1HG       LYS  34  -0.825  -6.486  -7.312
  276   2HG   LYS  34          2HG       LYS  34  -1.962  -7.584  -8.095
  277   1HD   LYS  34          1HD       LYS  34  -3.365  -5.486  -8.605
  278   2HD   LYS  34          2HD       LYS  34  -1.917  -4.570  -8.189
  279   1HE   LYS  34          1HE       LYS  34  -0.634  -5.853  -9.899
  280   2HE   LYS  34          2HE       LYS  34  -2.130  -6.693 -10.354
  281   1HZ   LYS  34          1HZ       LYS  34  -1.798  -3.739 -10.313
  282   2HZ   LYS  34          3HZ       LYS  34  -1.714  -4.692 -11.714
  283   3HZ   LYS  34          2HZ       LYS  34  -3.167  -4.597 -10.839
  284    H    VAL  35           H        VAL  35  -3.411  -9.961  -4.870
  285    HA   VAL  35           HA       VAL  35  -1.521 -11.367  -6.735
  286    HB   VAL  35           HB       VAL  35  -3.135 -12.389  -4.372
  287   1HG1  VAL  35          1HG1      VAL  35  -1.207 -13.676  -6.297
  288   2HG1  VAL  35          3HG1      VAL  35  -1.431 -14.322  -4.670
  289   3HG1  VAL  35          2HG1      VAL  35  -2.795 -14.244  -5.785
  290   1HG2  VAL  35          1HG2      VAL  35  -1.264 -10.816  -3.795
  291   2HG2  VAL  35          3HG2      VAL  35  -1.008 -12.452  -3.186
  292   3HG2  VAL  35          2HG2      VAL  35  -0.151 -11.903  -4.626
  293    H    VAL  36           H        VAL  36  -2.613 -11.572  -8.722
  294    HA   VAL  36           HA       VAL  36  -5.443 -12.567  -8.604
  295    HB   VAL  36           HB       VAL  36  -4.050 -10.781 -10.628
  296   1HG1  VAL  36          3HG1      VAL  36  -5.806 -12.254 -11.608
  297   2HG1  VAL  36          2HG1      VAL  36  -6.959 -11.622 -10.433
  298   3HG1  VAL  36          1HG1      VAL  36  -6.263 -10.552 -11.650
  299   1HG2  VAL  36          3HG2      VAL  36  -6.031 -10.262  -8.399
  300   2HG2  VAL  36          2HG2      VAL  36  -4.465  -9.494  -8.661
  301   3HG2  VAL  36          1HG2      VAL  36  -5.814  -9.137  -9.739
  302    HA   PRO  37           HA       PRO  37  -3.230 -15.922 -10.718
  303   1HB   PRO  37          1HB       PRO  37  -5.272 -17.743 -10.619
  304   2HB   PRO  37          2HB       PRO  37  -4.192 -17.429  -9.245
  305   1HG   PRO  37          1HG       PRO  37  -6.956 -16.447  -9.744
  306   2HG   PRO  37          2HG       PRO  37  -6.196 -16.964  -8.231
  307   1HD   PRO  37          1HD       PRO  37  -6.558 -14.350  -8.922
  308   2HD   PRO  37          2HD       PRO  37  -5.259 -14.914  -7.849
  309    H    ASN  38           H        ASN  38  -3.127 -15.989 -12.975
  310    HA   ASN  38           HA       ASN  38  -5.596 -15.240 -14.496
  311   1HB   ASN  38          1HB       ASN  38  -2.648 -15.292 -15.218
  312   2HB   ASN  38          2HB       ASN  38  -3.932 -14.780 -16.312
  313   1HD2  ASN  38          2HD2      ASN  38  -1.823 -13.688 -13.781
  314   2HD2  ASN  38          1HD2      ASN  38  -2.554 -12.174 -13.544
  315    HA   PRO  39           HA       PRO  39  -5.605 -19.632 -15.540
  316   1HB   PRO  39          1HB       PRO  39  -7.907 -19.616 -17.020
  317   2HB   PRO  39          2HB       PRO  39  -7.900 -19.637 -15.245
  318   1HG   PRO  39          1HG       PRO  39  -8.340 -17.361 -17.108
  319   2HG   PRO  39          2HG       PRO  39  -9.131 -17.729 -15.568
  320   1HD   PRO  39          1HD       PRO  39  -7.165 -15.858 -15.847
  321   2HD   PRO  39          2HD       PRO  39  -7.480 -16.738 -14.335
  322    H    PHE  40           H        PHE  40  -3.637 -18.768 -16.950
  323    HA   PHE  40           HA       PHE  40  -4.339 -19.232 -19.810
  324   1HB   PHE  40          1HB       PHE  40  -4.398 -16.792 -19.357
  325   2HB   PHE  40          2HB       PHE  40  -2.750 -16.875 -18.738
  326    HD1  PHE  40           HD1      PHE  40  -4.816 -16.592 -21.679
  327    HD2  PHE  40           HD2      PHE  40  -0.904 -17.706 -20.300
  328    HE1  PHE  40           HE1      PHE  40  -3.936 -16.357 -23.986
  329    HE2  PHE  40           HE2      PHE  40  -0.023 -17.471 -22.604
  330    HZ   PHE  40           HZ       PHE  40  -1.539 -16.797 -24.449
  331    H    SER  41           H        SER  41  -1.485 -18.332 -17.756
  332    HA   SER  41           HA       SER  41   0.063 -20.471 -19.179
  333   1HB   SER  41          1HB       SER  41   0.638 -17.880 -19.008
  334   2HB   SER  41          2HB       SER  41   1.288 -18.353 -17.440
  335    HG   SER  41           HG       SER  41   2.725 -19.663 -18.424
  336    H    GLU  42           H        GLU  42   1.511 -21.836 -17.831
  337    HA   GLU  42           HA       GLU  42   0.324 -22.352 -15.140
  338   1HB   GLU  42          1HB       GLU  42   2.306 -23.894 -16.853
  339   2HB   GLU  42          2HB       GLU  42   1.608 -24.477 -15.341
  340   1HG   GLU  42          1HG       GLU  42  -0.669 -24.220 -16.351
  341   2HG   GLU  42          2HG       GLU  42   0.100 -23.799 -17.882
  342    H    SER  43           H        SER  43   3.498 -21.568 -16.643
  343    HA   SER  43           HA       SER  43   5.125 -21.767 -14.302
  344   1HB   SER  43          1HB       SER  43   5.614 -19.519 -16.207
  345   2HB   SER  43          2HB       SER  43   6.729 -20.750 -15.619
  346    HG   SER  43           HG       SER  43   5.949 -20.874 -17.898
  347    H    GLY  44           H        GLY  44   3.098 -19.025 -15.450
  348   1HA   GLY  44          2HA       GLY  44   3.144 -16.820 -14.354
  349   2HA   GLY  44          1HA       GLY  44   3.725 -17.615 -12.891
  350    H    GLY  45           H        GLY  45   2.147 -19.049 -11.731
  351   1HA   GLY  45          2HA       GLY  45  -0.010 -19.620 -10.986
  352   2HA   GLY  45          1HA       GLY  45  -0.644 -19.053 -12.532
  353    H    ASP  46           H        ASP  46   0.774 -17.734  -9.475
  354    HA   ASP  46           HA       ASP  46  -1.216 -15.495  -9.690
  355   1HB   ASP  46          1HB       ASP  46   0.018 -16.948  -7.331
  356   2HB   ASP  46          2HB       ASP  46  -1.010 -15.524  -7.170
  357    H    MET  47           H        MET  47  -0.355 -13.391  -9.692
  358    HA   MET  47           HA       MET  47   2.579 -13.132  -9.110
  359   1HB   MET  47          1HB       MET  47   0.717 -11.723 -11.045
  360   2HB   MET  47          2HB       MET  47   2.378 -11.209 -10.749
  361   1HG   MET  47          1HG       MET  47   3.027 -13.651 -11.296
  362   2HG   MET  47          2HG       MET  47   1.407 -13.785 -11.981
  363   1HE   MET  47          1HE       MET  47   2.530 -14.621 -13.725
  364   2HE   MET  47          3HE       MET  47   2.166 -13.623 -15.140
  365   3HE   MET  47          2HE       MET  47   3.839 -13.905 -14.664
  366    H    LYS  48           H        LYS  48   3.182 -11.521  -7.604
  367    HA   LYS  48           HA       LYS  48   0.956  -9.852  -6.472
  368   1HB   LYS  48          1HB       LYS  48   2.080 -11.735  -5.116
  369   2HB   LYS  48          2HB       LYS  48   3.510 -10.703  -5.095
  370   1HG   LYS  48          1HG       LYS  48   1.797  -8.864  -4.288
  371   2HG   LYS  48          2HG       LYS  48   0.840 -10.264  -3.801
  372   1HD   LYS  48          1HD       LYS  48   3.736  -9.842  -3.014
  373   2HD   LYS  48          2HD       LYS  48   2.365  -9.407  -1.993
  374   1HE   LYS  48          1HE       LYS  48   2.459 -12.194  -3.101
  375   2HE   LYS  48          2HE       LYS  48   3.515 -11.790  -1.733
  376   1HZ   LYS  48          2HZ       LYS  48   1.607 -10.862  -0.574
  377   2HZ   LYS  48          1HZ       LYS  48   0.592 -11.270  -1.873
  378   3HZ   LYS  48          3HZ       LYS  48   1.328 -12.493  -0.959
  379    H    GLU  49           H        GLU  49   1.239  -7.632  -6.805
  380    HA   GLU  49           HA       GLU  49   4.022  -6.689  -7.424
  381   1HB   GLU  49          1HB       GLU  49   1.253  -5.878  -8.332
  382   2HB   GLU  49          2HB       GLU  49   2.642  -4.813  -8.557
  383   1HG   GLU  49          1HG       GLU  49   3.651  -6.220 -10.093
  384   2HG   GLU  49          2HG       GLU  49   2.897  -7.665  -9.420
  385    H    TRP  50           H        TRP  50   4.871  -5.086  -6.063
  386    HA   TRP  50           HA       TRP  50   3.151  -4.200  -3.795
  387   1HB   TRP  50          1HB       TRP  50   6.115  -4.024  -4.419
  388   2HB   TRP  50          2HB       TRP  50   5.394  -3.314  -2.975
  389    HD1  TRP  50           HD1      TRP  50   7.153  -6.268  -3.881
  390    HE1  TRP  50           HE1      TRP  50   6.554  -8.278  -2.384
  391    HE3  TRP  50           HE3      TRP  50   2.850  -4.529  -1.739
  392    HZ2  TRP  50           HZ2      TRP  50   4.522  -9.048  -0.524
  393    HZ3  TRP  50           HZ3      TRP  50   1.607  -5.919  -0.108
  394    HH2  TRP  50           HH2      TRP  50   2.437  -8.176   0.500
  395    H    TYR  51           H        TYR  51   2.203  -2.170  -3.812
  396    HA   TYR  51           HA       TYR  51   3.206  -0.200  -5.840
  397   1HB   TYR  51          1HB       TYR  51   0.506  -0.602  -4.515
  398   2HB   TYR  51          2HB       TYR  51   0.872   0.694  -5.653
  399    HD1  TYR  51           HD1      TYR  51   0.238  -2.884  -5.251
  400    HD2  TYR  51           HD2      TYR  51   1.378   0.198  -8.019
  401    HE1  TYR  51           HE1      TYR  51  -0.231  -4.420  -7.130
  402    HE2  TYR  51           HE2      TYR  51   0.905  -1.340  -9.911
  403    HH   TYR  51           HH       TYR  51   0.886  -4.056 -10.112
  404    H    HIS  52           H        HIS  52   2.621   2.164  -5.097
  405    HA   HIS  52           HA       HIS  52   3.773   2.549  -2.365
  406   1HB   HIS  52          1HB       HIS  52   3.528   4.046  -4.901
  407   2HB   HIS  52          2HB       HIS  52   3.349   5.043  -3.462
  408    HD2  HIS  52           HD2      HIS  52   5.669   3.790  -1.541
  409    HE1  HIS  52           HE1      HIS  52   8.299   4.159  -4.838
  410    HE2  HIS  52           HE2      HIS  52   8.129   3.843  -2.349
  411    H    ILE  53           H        ILE  53   2.577   4.843  -1.447
  412    HA   ILE  53           HA       ILE  53  -0.189   3.937  -0.885
  413    HB   ILE  53           HB       ILE  53   1.499   6.284   0.064
  414   1HG1  ILE  53          1HG1      ILE  53   2.221   4.027   0.804
  415   2HG1  ILE  53          2HG1      ILE  53   1.620   4.987   2.154
  416   1HG2  ILE  53          3HG2      ILE  53  -1.321   6.060   0.158
  417   2HG2  ILE  53          2HG2      ILE  53  -0.758   5.653   1.776
  418   3HG2  ILE  53          1HG2      ILE  53  -0.311   7.195   1.053
  419   1HD1  ILE  53          2HD1      ILE  53  -0.649   3.678   1.106
  420   2HD1  ILE  53          1HD1      ILE  53   0.628   2.460   1.133
  421   3HD1  ILE  53          3HD1      ILE  53   0.186   3.307   2.615
  422    H    LYS  54           H        LYS  54   1.427   6.702  -2.529
  423    HA   LYS  54           HA       LYS  54  -1.213   7.759  -3.378
  424   1HB   LYS  54          1HB       LYS  54   0.660   9.241  -2.644
  425   2HB   LYS  54          2HB       LYS  54   1.605   8.684  -4.026
  426   1HG   LYS  54          1HG       LYS  54  -0.294   9.471  -5.511
  427   2HG   LYS  54          2HG       LYS  54  -0.997  10.233  -4.083
  428   1HD   LYS  54          1HD       LYS  54   1.867  10.770  -4.849
  429   2HD   LYS  54          2HD       LYS  54   0.551  11.666  -5.612
  430   1HE   LYS  54          1HE       LYS  54   0.467  11.451  -2.635
  431   2HE   LYS  54          2HE       LYS  54   1.696  12.524  -3.334
  432   1HZ   LYS  54          1HZ       LYS  54  -0.029  13.530  -4.710
  433   2HZ   LYS  54          3HZ       LYS  54  -1.202  12.532  -4.002
  434   3HZ   LYS  54          2HZ       LYS  54  -0.400  13.698  -3.061
  435    H    CYS  55           H        CYS  55   1.376   5.768  -4.757
  436    HA   CYS  55           HA       CYS  55   0.582   6.243  -7.535
  437   1HB   CYS  55          1HB       CYS  55   2.129   3.930  -6.313
  438   2HB   CYS  55          2HB       CYS  55   2.109   4.375  -8.016
  439    H    MET  56           H        MET  56  -0.095   3.682  -5.127
  440    HA   MET  56           HA       MET  56  -1.685   2.096  -6.987
  441   1HB   MET  56          1HB       MET  56  -0.523   1.627  -4.574
  442   2HB   MET  56          2HB       MET  56  -2.192   1.884  -4.063
  443   1HG   MET  56          1HG       MET  56  -1.446   0.008  -6.316
  444   2HG   MET  56          2HG       MET  56  -1.583  -0.522  -4.639
  445   1HE   MET  56          1HE       MET  56  -3.109   0.840  -7.741
  446   2HE   MET  56          3HE       MET  56  -3.419  -0.903  -7.720
  447   3HE   MET  56          2HE       MET  56  -4.764   0.235  -7.703
  448    H    PHE  57           H        PHE  57  -2.484   4.631  -4.587
  449    HA   PHE  57           HA       PHE  57  -5.374   4.258  -5.047
  450   1HB   PHE  57          1HB       PHE  57  -3.620   6.059  -3.410
  451   2HB   PHE  57          2HB       PHE  57  -5.282   6.566  -3.711
  452    HD1  PHE  57           HD1      PHE  57  -3.334   4.949  -1.375
  453    HD2  PHE  57           HD2      PHE  57  -6.979   4.362  -3.565
  454    HE1  PHE  57           HE1      PHE  57  -4.113   3.367   0.359
  455    HE2  PHE  57           HE2      PHE  57  -7.764   2.779  -1.825
  456    HZ   PHE  57           HZ       PHE  57  -6.331   2.281   0.134
  457    H    GLU  58           H        GLU  58  -2.790   6.388  -6.294
  458    HA   GLU  58           HA       GLU  58  -4.704   8.118  -7.714
  459   1HB   GLU  58          1HB       GLU  58  -2.402   8.814  -6.909
  460   2HB   GLU  58          2HB       GLU  58  -1.721   7.780  -8.166
  461   1HG   GLU  58          1HG       GLU  58  -3.298   9.114  -9.769
  462   2HG   GLU  58          2HG       GLU  58  -3.330  10.305  -8.468
  463    H    LYS  59           H        LYS  59  -2.749   5.221  -8.483
  464    HA   LYS  59           HA       LYS  59  -3.292   5.346 -11.352
  465   1HB   LYS  59          1HB       LYS  59  -1.394   4.109 -10.161
  466   2HB   LYS  59          2HB       LYS  59  -2.593   2.899  -9.703
  467   1HG   LYS  59          1HG       LYS  59  -2.545   3.668 -12.572
  468   2HG   LYS  59          2HG       LYS  59  -1.157   2.749 -11.990
  469   1HD   LYS  59          1HD       LYS  59  -3.938   1.847 -11.290
  470   2HD   LYS  59          2HD       LYS  59  -3.264   1.460 -12.873
  471   1HE   LYS  59          1HE       LYS  59  -1.161   0.750 -11.323
  472   2HE   LYS  59          2HE       LYS  59  -2.492   0.423 -10.195
  473   1HZ   LYS  59          1HZ       LYS  59  -2.508  -0.445 -13.032
  474   2HZ   LYS  59          3HZ       LYS  59  -1.980  -1.440 -11.765
  475   3HZ   LYS  59          2HZ       LYS  59  -3.590  -0.901 -11.806
  476    H    LEU  60           H        LEU  60  -4.932   3.843  -8.553
  477    HA   LEU  60           HA       LEU  60  -6.798   2.310 -10.217
  478   1HB   LEU  60          1HB       LEU  60  -6.197   1.694  -7.879
  479   2HB   LEU  60          2HB       LEU  60  -6.947   3.183  -7.304
  480    HG   LEU  60           HG       LEU  60  -8.984   2.145  -8.788
  481   1HD1  LEU  60          1HD1      LEU  60  -7.212  -0.102  -7.896
  482   2HD1  LEU  60          3HD1      LEU  60  -8.961  -0.327  -7.833
  483   3HD1  LEU  60          2HD1      LEU  60  -8.174   0.048  -9.367
  484   1HD2  LEU  60          2HD2      LEU  60  -8.204   2.083  -5.917
  485   2HD2  LEU  60          1HD2      LEU  60  -9.641   2.765  -6.677
  486   3HD2  LEU  60          3HD2      LEU  60  -9.539   1.030  -6.384
  487    H    GLU  61           H        GLU  61  -6.904   5.475  -8.518
  488    HA   GLU  61           HA       GLU  61  -9.680   6.011  -9.276
  489   1HB   GLU  61          1HB       GLU  61  -8.509   7.039  -7.322
  490   2HB   GLU  61          2HB       GLU  61  -7.463   7.914  -8.441
  491   1HG   GLU  61          1HG       GLU  61  -9.673   8.787  -9.487
  492   2HG   GLU  61          2HG       GLU  61 -10.423   8.251  -7.983
  493    H    ARG  62           H        ARG  62  -6.510   6.629 -10.783
  494    HA   ARG  62           HA       ARG  62  -7.780   8.312 -12.884
  495   1HB   ARG  62          1HB       ARG  62  -5.494   8.674 -11.655
  496   2HB   ARG  62          2HB       ARG  62  -4.889   7.463 -12.787
  497   1HG   ARG  62          1HG       ARG  62  -4.526   9.355 -14.056
  498   2HG   ARG  62          2HG       ARG  62  -6.186   9.009 -14.542
  499   1HD   ARG  62          1HD       ARG  62  -7.047  10.795 -13.361
  500   2HD   ARG  62          2HD       ARG  62  -5.815  10.677 -12.089
  501    HE   ARG  62           HE       ARG  62  -5.251  11.761 -14.826
  502   1HH1  ARG  62          1HH1      ARG  62  -5.690  13.106 -11.937
  503   2HH1  ARG  62          2HH1      ARG  62  -4.069  13.658 -11.673
  504   1HH2  ARG  62          1HH2      ARG  62  -2.731  11.797 -14.276
  505   2HH2  ARG  62          2HH2      ARG  62  -2.394  12.916 -12.998
  506    H    ALA  63           H        ALA  63  -6.374   5.033 -12.491
  507    HA   ALA  63           HA       ALA  63  -7.049   4.526 -15.374
  508   1HB   ALA  63          2HB       ALA  63  -4.599   4.555 -14.519
  509   2HB   ALA  63          1HB       ALA  63  -5.006   3.033 -13.726
  510   3HB   ALA  63          3HB       ALA  63  -5.110   3.168 -15.482
  511    H    ARG  64           H        ARG  64  -9.055   3.437 -15.251
  512    HA   ARG  64           HA       ARG  64  -9.222   1.153 -13.307
  513   1HB   ARG  64          1HB       ARG  64 -10.715   3.365 -13.258
  514   2HB   ARG  64          2HB       ARG  64 -11.625   2.491 -14.490
  515   1HG   ARG  64          1HG       ARG  64 -11.762   0.536 -12.937
  516   2HG   ARG  64          2HG       ARG  64 -10.975   1.512 -11.696
  517   1HD   ARG  64          1HD       ARG  64 -13.131   2.059 -11.126
  518   2HD   ARG  64          2HD       ARG  64 -13.002   3.190 -12.487
  519    HE   ARG  64           HE       ARG  64 -14.445   0.627 -12.515
  520   1HH1  ARG  64          1HH1      ARG  64 -14.887   3.496 -13.802
  521   2HH1  ARG  64          2HH1      ARG  64 -14.892   3.041 -15.473
  522   1HH2  ARG  64          1HH2      ARG  64 -13.602  -0.124 -14.891
  523   2HH2  ARG  64          2HH2      ARG  64 -14.165   0.992 -16.089
  524    H    ALA  65           H        ALA  65  -8.660  -0.617 -14.666
  525    HA   ALA  65           HA       ALA  65  -9.786  -0.749 -17.415
  526   1HB   ALA  65          2HB       ALA  65  -8.047  -2.686 -15.845
  527   2HB   ALA  65          1HB       ALA  65  -8.367  -2.760 -17.578
  528   3HB   ALA  65          3HB       ALA  65  -7.443  -1.415 -16.908
  529    H    THR  66           H        THR  66 -10.203  -2.402 -14.255
  530    HA   THR  66           HA       THR  66 -12.652  -3.713 -15.390
  531    HB   THR  66           HB       THR  66 -12.005  -5.692 -14.016
  532    HG1  THR  66           HG1      THR  66 -10.064  -5.679 -12.953
  533   1HG2  THR  66          2HG2      THR  66 -11.197  -5.287 -16.425
  534   2HG2  THR  66          1HG2      THR  66  -9.640  -4.879 -15.703
  535   3HG2  THR  66          3HG2      THR  66 -10.322  -6.490 -15.478
  536    H    THR  67           H        THR  67 -13.676  -4.799 -13.028
  537    HA   THR  67           HA       THR  67 -14.409  -2.343 -11.533
  538    HB   THR  67           HB       THR  67 -15.752  -4.370 -10.314
  539    HG1  THR  67           HG1      THR  67 -16.050  -6.021 -11.695
  540   1HG2  THR  67          2HG2      THR  67 -16.690  -2.390 -11.515
  541   2HG2  THR  67          1HG2      THR  67 -16.466  -3.250 -13.037
  542   3HG2  THR  67          3HG2      THR  67 -17.591  -3.873 -11.830
  543    H    LYS  68           H        LYS  68 -12.619  -1.795 -10.185
  544    HA   LYS  68           HA       LYS  68 -12.062  -3.733  -7.984
  545   1HB   LYS  68          1HB       LYS  68 -10.434  -3.643 -10.099
  546   2HB   LYS  68          2HB       LYS  68  -9.793  -2.240  -9.244
  547   1HG   LYS  68          1HG       LYS  68  -9.434  -3.601  -7.234
  548   2HG   LYS  68          2HG       LYS  68 -10.122  -5.007  -8.047
  549   1HD   LYS  68          1HD       LYS  68  -7.787  -5.288  -8.301
  550   2HD   LYS  68          2HD       LYS  68  -8.308  -4.613  -9.845
  551   1HE   LYS  68          1HE       LYS  68  -7.770  -2.301  -8.821
  552   2HE   LYS  68          2HE       LYS  68  -6.884  -3.207  -7.578
  553   1HZ   LYS  68          1HZ       LYS  68  -6.514  -3.531 -10.509
  554   2HZ   LYS  68          3HZ       LYS  68  -5.472  -2.660  -9.495
  555   3HZ   LYS  68          2HZ       LYS  68  -5.646  -4.338  -9.293
  556    H    LYS  69           H        LYS  69 -12.642  -2.511  -6.163
  557    HA   LYS  69           HA       LYS  69 -11.512   0.251  -5.964
  558   1HB   LYS  69          1HB       LYS  69 -13.965   0.057  -6.778
  559   2HB   LYS  69          2HB       LYS  69 -14.329  -0.451  -5.128
  560   1HG   LYS  69          1HG       LYS  69 -14.589   1.809  -4.824
  561   2HG   LYS  69          2HG       LYS  69 -12.843   1.730  -4.585
  562   1HD   LYS  69          1HD       LYS  69 -12.379   2.683  -6.627
  563   2HD   LYS  69          2HD       LYS  69 -13.816   2.001  -7.389
  564   1HE   LYS  69          1HE       LYS  69 -14.172   4.070  -5.237
  565   2HE   LYS  69          2HE       LYS  69 -13.736   4.590  -6.878
  566   1HZ   LYS  69          3HZ       LYS  69 -15.550   3.152  -7.711
  567   2HZ   LYS  69          2HZ       LYS  69 -16.024   2.859  -6.106
  568   3HZ   LYS  69          1HZ       LYS  69 -16.111   4.431  -6.746
  569    H    ILE  70           H        ILE  70 -10.736   0.714  -3.869
  570    HA   ILE  70           HA       ILE  70 -11.224  -1.387  -1.780
  571    HB   ILE  70           HB       ILE  70  -8.923   0.547  -2.243
  572   1HG1  ILE  70          1HG1      ILE  70  -9.069  -2.474  -2.522
  573   2HG1  ILE  70          2HG1      ILE  70  -9.110  -1.340  -3.872
  574   1HG2  ILE  70          2HG2      ILE  70  -9.674  -1.198   0.030
  575   2HG2  ILE  70          1HG2      ILE  70  -7.999  -1.343  -0.501
  576   3HG2  ILE  70          3HG2      ILE  70  -8.632   0.226  -0.002
  577   1HD1  ILE  70          2HD1      ILE  70  -6.868  -0.971  -1.969
  578   2HD1  ILE  70          1HD1      ILE  70  -6.817  -2.452  -2.922
  579   3HD1  ILE  70          3HD1      ILE  70  -6.876  -0.885  -3.729
  580    H    GLU  71           H        GLU  71 -12.743  -0.622  -0.291
  581    HA   GLU  71           HA       GLU  71 -12.722   2.316   0.329
  582   1HB   GLU  71          1HB       GLU  71 -14.776   0.181   0.061
  583   2HB   GLU  71          2HB       GLU  71 -15.064   1.378   1.324
  584   1HG   GLU  71          1HG       GLU  71 -14.767   3.190  -0.338
  585   2HG   GLU  71          2HG       GLU  71 -14.518   1.982  -1.599
  586    H    ASP  72           H        ASP  72 -12.930   2.938   2.624
  587    HA   ASP  72           HA       ASP  72 -12.283   2.759   4.885
  588   1HB   ASP  72          1HB       ASP  72 -13.883   0.341   4.157
  589   2HB   ASP  72          2HB       ASP  72 -13.108   0.358   5.741
  590    H    LEU  73           H        LEU  73 -11.147   0.922   6.489
  591    HA   LEU  73           HA       LEU  73  -8.856  -0.220   4.921
  592   1HB   LEU  73          1HB       LEU  73  -8.555   1.945   6.308
  593   2HB   LEU  73          2HB       LEU  73  -8.702   0.902   7.721
  594    HG   LEU  73           HG       LEU  73  -6.842  -0.506   6.819
  595   1HD1  LEU  73          3HD1      LEU  73  -6.896   1.642   4.698
  596   2HD1  LEU  73          2HD1      LEU  73  -5.437   0.708   5.025
  597   3HD1  LEU  73          1HD1      LEU  73  -6.903  -0.107   4.483
  598   1HD2  LEU  73          3HD2      LEU  73  -6.689   1.789   8.251
  599   2HD2  LEU  73          2HD2      LEU  73  -5.273   0.825   7.833
  600   3HD2  LEU  73          1HD2      LEU  73  -5.695   2.237   6.865
  601    H    THR  74           H        THR  74 -11.279  -1.702   5.754
  602    HA   THR  74           HA       THR  74  -9.941  -3.724   7.489
  603    HB   THR  74           HB       THR  74 -12.429  -3.732   8.560
  604    HG1  THR  74           HG1      THR  74 -13.260  -1.727   8.611
  605   1HG2  THR  74          3HG2      THR  74  -9.851  -2.472   9.253
  606   2HG2  THR  74          2HG2      THR  74 -11.242  -1.811  10.112
  607   3HG2  THR  74          1HG2      THR  74 -10.882  -3.533  10.216
  608    H    GLU  75           H        GLU  75 -10.532  -3.773   4.617
  609    HA   GLU  75           HA       GLU  75 -12.798  -5.740   4.490
  610   1HB   GLU  75          1HB       GLU  75 -11.444  -3.961   2.434
  611   2HB   GLU  75          2HB       GLU  75 -12.679  -5.152   2.026
  612   1HG   GLU  75          1HG       GLU  75 -14.008  -3.913   3.974
  613   2HG   GLU  75          2HG       GLU  75 -12.950  -2.577   3.520
  614    H    LEU  76           H        LEU  76  -9.606  -5.139   2.878
  615    HA   LEU  76           HA       LEU  76  -8.919  -8.009   3.300
  616   1HB   LEU  76          1HB       LEU  76  -8.376  -8.216   0.874
  617   2HB   LEU  76          2HB       LEU  76 -10.085  -7.875   1.129
  618    HG   LEU  76           HG       LEU  76  -8.175  -5.588   0.692
  619   1HD1  LEU  76          2HD1      LEU  76  -7.911  -7.416  -1.121
  620   2HD1  LEU  76          1HD1      LEU  76  -9.552  -6.987  -1.599
  621   3HD1  LEU  76          3HD1      LEU  76  -8.272  -5.777  -1.664
  622   1HD2  LEU  76          2HD2      LEU  76 -10.977  -5.901   1.030
  623   2HD2  LEU  76          1HD2      LEU  76 -10.086  -4.424   0.673
  624   3HD2  LEU  76          3HD2      LEU  76 -10.718  -5.412  -0.643
  625    H    GLU  77           H        GLU  77  -7.609  -6.297   4.823
  626    HA   GLU  77           HA       GLU  77  -4.972  -6.032   3.491
  627   1HB   GLU  77          1HB       GLU  77  -4.817  -3.685   4.447
  628   2HB   GLU  77          2HB       GLU  77  -5.919  -3.887   3.094
  629   1HG   GLU  77          1HG       GLU  77  -7.273  -4.367   5.626
  630   2HG   GLU  77          2HG       GLU  77  -6.515  -2.779   5.614
  631    H    GLY  78           H        GLY  78  -3.222  -6.375   4.927
  632   1HA   GLY  78          2HA       GLY  78  -2.265  -7.291   6.885
  633   2HA   GLY  78          1HA       GLY  78  -3.888  -7.450   7.560
  634    H    TRP  79           H        TRP  79  -4.927  -5.214   8.128
  635    HA   TRP  79           HA       TRP  79  -2.965  -3.116   8.834
  636   1HB   TRP  79          1HB       TRP  79  -4.940  -1.767   9.343
  637   2HB   TRP  79          2HB       TRP  79  -5.146  -2.559   7.786
  638    HD1  TRP  79           HD1      TRP  79  -7.035  -4.356   7.554
  639    HE1  TRP  79           HE1      TRP  79  -9.018  -5.032   9.051
  640    HE3  TRP  79           HE3      TRP  79  -5.692  -2.031  11.899
  641    HZ2  TRP  79           HZ2      TRP  79  -9.921  -4.635  11.726
  642    HZ3  TRP  79           HZ3      TRP  79  -7.141  -2.195  13.904
  643    HH2  TRP  79           HH2      TRP  79  -9.252  -3.493  13.816
  644    H    GLU  80           H        GLU  80  -4.707  -5.701  10.513
  645    HA   GLU  80           HA       GLU  80  -4.783  -4.719  13.166
  646   1HB   GLU  80          1HB       GLU  80  -5.648  -6.921  12.392
  647   2HB   GLU  80          2HB       GLU  80  -3.989  -7.504  12.238
  648   1HG   GLU  80          1HG       GLU  80  -3.615  -7.204  14.627
  649   2HG   GLU  80          2HG       GLU  80  -5.211  -6.478  14.817
  650    H    GLU  81           H        GLU  81  -1.935  -5.890  11.329
  651    HA   GLU  81           HA       GLU  81  -0.173  -5.780  13.693
  652   1HB   GLU  81          1HB       GLU  81   0.323  -6.093  10.711
  653   2HB   GLU  81          2HB       GLU  81   1.595  -6.193  11.929
  654   1HG   GLU  81          1HG       GLU  81   0.311  -8.033  13.044
  655   2HG   GLU  81          2HG       GLU  81  -0.839  -7.986  11.708
  656    H    LEU  82           H        LEU  82  -0.844  -3.706  10.840
  657    HA   LEU  82           HA       LEU  82   1.203  -1.781  11.084
  658   1HB   LEU  82          1HB       LEU  82  -1.388  -1.985   9.827
  659   2HB   LEU  82          2HB       LEU  82  -1.252  -0.390  10.554
  660    HG   LEU  82           HG       LEU  82   1.166  -0.488   9.454
  661   1HD1  LEU  82          3HD1      LEU  82   0.849  -2.798   8.602
  662   2HD1  LEU  82          2HD1      LEU  82  -0.518  -2.238   7.638
  663   3HD1  LEU  82          1HD1      LEU  82   1.107  -1.643   7.294
  664   1HD2  LEU  82          3HD2      LEU  82  -1.507   0.240   8.295
  665   2HD2  LEU  82          2HD2      LEU  82  -0.196   1.297   8.817
  666   3HD2  LEU  82          1HD2      LEU  82  -0.063   0.412   7.298
  667    H    GLU  83           H        GLU  83   0.672   0.652  11.880
  668    HA   GLU  83           HA       GLU  83  -0.123   0.398  14.758
  669   1HB   GLU  83          1HB       GLU  83   1.707   2.134  13.139
  670   2HB   GLU  83          2HB       GLU  83   1.043   2.793  14.634
  671   1HG   GLU  83          1HG       GLU  83   2.195   0.033  14.699
  672   2HG   GLU  83          2HG       GLU  83   3.309   1.400  14.645
  673    H    ASP  84           H        ASP  84  -1.437   2.208  15.702
  674    HA   ASP  84           HA       ASP  84  -3.784   2.809  14.165
  675   1HB   ASP  84          1HB       ASP  84  -2.621   4.175  16.617
  676   2HB   ASP  84          2HB       ASP  84  -4.274   4.391  16.042
  677    H    ASN  85           H        ASN  85  -0.907   4.836  14.877
  678    HA   ASN  85           HA       ASN  85  -1.848   7.209  13.551
  679   1HB   ASN  85          1HB       ASN  85   0.311   6.630  15.033
  680   2HB   ASN  85          2HB       ASN  85   1.053   6.468  13.441
  681   1HD2  ASN  85          2HD2      ASN  85   0.497   8.752  15.850
  682   2HD2  ASN  85          1HD2      ASN  85   0.528  10.151  14.890
  683    H    GLU  86           H        GLU  86   0.233   4.558  12.294
  684    HA   GLU  86           HA       GLU  86   0.340   5.553   9.584
  685   1HB   GLU  86          1HB       GLU  86   0.692   2.848  10.888
  686   2HB   GLU  86          2HB       GLU  86   0.781   3.012   9.134
  687   1HG   GLU  86          1HG       GLU  86   3.001   3.373   9.631
  688   2HG   GLU  86          2HG       GLU  86   2.416   5.029   9.797
  689    H    LYS  87           H        LYS  87  -1.918   3.310  11.230
  690    HA   LYS  87           HA       LYS  87  -3.490   2.597   8.940
  691   1HB   LYS  87          1HB       LYS  87  -3.608   1.503  11.172
  692   2HB   LYS  87          2HB       LYS  87  -4.345   2.960  11.835
  693   1HG   LYS  87          1HG       LYS  87  -6.115   2.653   9.955
  694   2HG   LYS  87          2HG       LYS  87  -5.496   1.005   9.854
  695   1HD   LYS  87          1HD       LYS  87  -7.048   0.606  11.483
  696   2HD   LYS  87          2HD       LYS  87  -5.790   1.238  12.545
  697   1HE   LYS  87          1HE       LYS  87  -7.471   3.324  11.288
  698   2HE   LYS  87          2HE       LYS  87  -8.326   2.265  12.427
  699   1HZ   LYS  87          1HZ       LYS  87  -6.408   2.581  13.963
  700   2HZ   LYS  87          3HZ       LYS  87  -5.817   3.776  12.915
  701   3HZ   LYS  87          2HZ       LYS  87  -7.313   3.993  13.691
  702    H    GLU  88           H        GLU  88  -3.712   5.414  11.142
  703    HA   GLU  88           HA       GLU  88  -6.181   6.465  10.060
  704   1HB   GLU  88          1HB       GLU  88  -4.638   7.083  12.176
  705   2HB   GLU  88          2HB       GLU  88  -4.047   8.313  11.058
  706   1HG   GLU  88          1HG       GLU  88  -6.463   8.940  10.625
  707   2HG   GLU  88          2HG       GLU  88  -6.904   7.873  11.958
  708    H    GLN  89           H        GLN  89  -2.746   6.975   9.132
  709    HA   GLN  89           HA       GLN  89  -3.296   9.025   7.157
  710   1HB   GLN  89          1HB       GLN  89  -1.056   8.442   8.205
  711   2HB   GLN  89          2HB       GLN  89  -1.022   7.012   7.173
  712   1HG   GLN  89          1HG       GLN  89  -1.582   9.612   5.835
  713   2HG   GLN  89          2HG       GLN  89   0.063   9.357   6.417
  714   1HE2  GLN  89          1HE2      GLN  89   1.362   7.680   5.364
  715   2HE2  GLN  89          2HE2      GLN  89   0.825   6.894   3.959
  716    H    ILE  90           H        ILE  90  -3.086   5.457   6.939
  717    HA   ILE  90           HA       ILE  90  -3.379   5.335   4.055
  718    HB   ILE  90           HB       ILE  90  -4.106   3.334   6.232
  719   1HG1  ILE  90          1HG1      ILE  90  -1.678   3.089   4.519
  720   2HG1  ILE  90          2HG1      ILE  90  -1.651   4.335   5.765
  721   1HG2  ILE  90          1HG2      ILE  90  -3.768   3.045   3.234
  722   2HG2  ILE  90          3HG2      ILE  90  -3.748   1.674   4.344
  723   3HG2  ILE  90          2HG2      ILE  90  -5.199   2.665   4.192
  724   1HD1  ILE  90          3HD1      ILE  90  -2.382   1.443   6.291
  725   2HD1  ILE  90          2HD1      ILE  90  -0.769   2.111   6.538
  726   3HD1  ILE  90          1HD1      ILE  90  -2.125   2.708   7.492
  727    H    THR  91           H        THR  91  -5.763   5.318   6.751
  728    HA   THR  91           HA       THR  91  -8.102   4.809   5.170
  729    HB   THR  91           HB       THR  91  -9.081   6.389   7.121
  730    HG1  THR  91           HG1      THR  91  -7.215   7.155   7.937
  731   1HG2  THR  91          3HG2      THR  91  -9.301   3.880   6.794
  732   2HG2  THR  91          2HG2      THR  91  -7.838   3.707   7.764
  733   3HG2  THR  91          1HG2      THR  91  -9.287   4.420   8.473
  734    H    GLN  92           H        GLN  92  -6.367   7.870   5.840
  735    HA   GLN  92           HA       GLN  92  -8.269   9.681   4.691
  736   1HB   GLN  92          1HB       GLN  92  -5.913   9.988   5.923
  737   2HB   GLN  92          2HB       GLN  92  -5.328  10.100   4.263
  738   1HG   GLN  92          1HG       GLN  92  -6.875  11.922   3.791
  739   2HG   GLN  92          2HG       GLN  92  -7.597  11.763   5.393
  740   1HE2  GLN  92          1HE2      GLN  92  -5.911  14.042   4.047
  741   2HE2  GLN  92          2HE2      GLN  92  -4.716  14.365   5.209
  742    H    HIS  93           H        HIS  93  -5.675   7.743   3.132
  743    HA   HIS  93           HA       HIS  93  -5.891   8.836   0.491
  744   1HB   HIS  93          1HB       HIS  93  -4.918   6.307   1.737
  745   2HB   HIS  93          2HB       HIS  93  -5.277   6.224   0.015
  746    HD1  HIS  93           HD1      HIS  93  -3.530   7.124  -1.528
  747    HD2  HIS  93           HD2      HIS  93  -3.018   8.522   2.361
  748    HE1  HIS  93           HE1      HIS  93  -1.362   8.427  -1.515
  749    H    ILE  94           H        ILE  94  -7.580   5.950   1.876
  750    HA   ILE  94           HA       ILE  94  -9.176   5.389  -0.436
  751    HB   ILE  94           HB       ILE  94  -9.763   4.971   2.517
  752   1HG1  ILE  94          1HG1      ILE  94  -8.989   2.640   0.930
  753   2HG1  ILE  94          2HG1      ILE  94  -7.752   3.892   0.873
  754   1HG2  ILE  94          1HG2      ILE  94 -11.110   4.003   0.007
  755   2HG2  ILE  94          3HG2      ILE  94 -11.104   2.985   1.447
  756   3HG2  ILE  94          2HG2      ILE  94 -11.837   4.587   1.504
  757   1HD1  ILE  94          2HD1      ILE  94  -8.897   3.420   3.554
  758   2HD1  ILE  94          1HD1      ILE  94  -7.984   2.065   2.887
  759   3HD1  ILE  94          3HD1      ILE  94  -7.214   3.642   3.064
  760    H    ALA  95           H        ALA  95  -9.771   7.637   2.287
  761    HA   ALA  95           HA       ALA  95 -12.466   8.351   1.590
  762   1HB   ALA  95          3HB       ALA  95 -10.204   9.781   3.000
  763   2HB   ALA  95          1HB       ALA  95 -11.650   9.063   3.710
  764   3HB   ALA  95          2HB       ALA  95 -11.773  10.554   2.778
  765    H    ASP  96           H        ASP  96  -9.323   9.625   0.431
  766    HA   ASP  96           HA       ASP  96 -10.342  11.820  -1.115
  767   1HB   ASP  96          1HB       ASP  96  -7.883  10.921  -0.541
  768   2HB   ASP  96          2HB       ASP  96  -8.043  10.183  -2.135
  769    H    LEU  97           H        LEU  97  -9.751   8.390  -2.069
  770    HA   LEU  97           HA       LEU  97 -10.568   8.606  -4.799
  771   1HB   LEU  97          1HB       LEU  97 -10.404   6.445  -2.743
  772   2HB   LEU  97          2HB       LEU  97 -11.367   6.099  -4.180
  773    HG   LEU  97           HG       LEU  97  -9.338   6.998  -5.511
  774   1HD1  LEU  97          1HD1      LEU  97  -8.307   6.878  -2.720
  775   2HD1  LEU  97          3HD1      LEU  97  -7.232   6.298  -3.992
  776   3HD1  LEU  97          2HD1      LEU  97  -7.848   7.951  -4.043
  777   1HD2  LEU  97          1HD2      LEU  97 -10.016   4.616  -5.419
  778   2HD2  LEU  97          3HD2      LEU  97  -8.259   4.780  -5.445
  779   3HD2  LEU  97          2HD2      LEU  97  -9.090   4.417  -3.931
  780    H    SER  98           H        SER  98 -12.560   8.275  -1.834
  781    HA   SER  98           HA       SER  98 -15.031   8.169  -3.510
  782   1HB   SER  98          1HB       SER  98 -14.374   7.732  -0.589
  783   2HB   SER  98          2HB       SER  98 -16.041   7.862  -1.145
  784    HG   SER  98           HG       SER  98 -15.337   5.698  -1.142
  785    H    SER  99           H        SER  99 -13.822  10.652  -3.812
  786    HA   SER  99           HA       SER  99 -15.678  12.423  -2.282
  787   1HB   SER  99          1HB       SER  99 -13.831  13.879  -1.697
  788   2HB   SER  99          2HB       SER  99 -13.390  12.245  -1.210
  789    HG   SER  99           HG       SER  99 -11.756  13.430  -2.416
  790    H    LYS 100           H        LYS 100 -16.803  13.594  -3.850
  791    HA   LYS 100           HA       LYS 100 -17.266  14.694  -5.885
  792   1HB   LYS 100          1HB       LYS 100 -15.253  15.925  -4.690
  793   2HB   LYS 100          2HB       LYS 100 -14.329  15.303  -6.057
  794   1HG   LYS 100          1HG       LYS 100 -15.038  17.235  -7.056
  795   2HG   LYS 100          2HG       LYS 100 -16.487  16.280  -7.371
  796   1HD   LYS 100          1HD       LYS 100 -17.403  18.179  -6.379
  797   2HD   LYS 100          2HD       LYS 100 -17.207  17.122  -4.981
  798   1HE   LYS 100          1HE       LYS 100 -15.235  18.255  -4.264
  799   2HE   LYS 100          2HE       LYS 100 -15.056  19.084  -5.823
  800   1HZ   LYS 100          1HZ       LYS 100 -17.219  20.142  -5.433
  801   2HZ   LYS 100          3HZ       LYS 100 -17.298  19.420  -3.901
  802   3HZ   LYS 100          2HZ       LYS 100 -16.088  20.565  -4.238
  803    H    ALA 101           H        ALA 101 -17.488  12.311  -6.765
  804    HA   ALA 101           HA       ALA 101 -15.373  11.810  -8.839
  805   1HB   ALA 101          3HB       ALA 101 -15.404  10.027  -7.263
  806   2HB   ALA 101          2HB       ALA 101 -17.165  10.028  -7.179
  807   3HB   ALA 101          1HB       ALA 101 -16.351   9.427  -8.624
  808    H    ALA 102           H        ALA 102 -18.893  11.154  -8.249
  809    HA   ALA 102           HA       ALA 102 -19.344  11.665 -11.173
  810   1HB   ALA 102          1HB       ALA 102 -19.741   9.355 -10.382
  811   2HB   ALA 102          3HB       ALA 102 -20.862   9.965  -9.166
  812   3HB   ALA 102          2HB       ALA 102 -21.254  10.113 -10.878
  813    H    GLY 103           H        GLY 103 -21.357  12.852 -11.717
  814   1HA   GLY 103          2HA       GLY 103 -22.620  14.826 -11.371
  815   2HA   GLY 103          1HA       GLY 103 -22.009  14.897  -9.717
  816    H    THR 104           H        THR 104 -24.212  15.278  -8.907
  817    HA   THR 104           HA       THR 104 -25.929  12.814  -8.991
  818    HB   THR 104           HB       THR 104 -26.616  13.921  -6.673
  819    HG1  THR 104           HG1      THR 104 -24.998  15.128  -5.809
  820   1HG2  THR 104          3HG2      THR 104 -25.365  11.722  -7.199
  821   2HG2  THR 104          2HG2      THR 104 -23.897  12.630  -6.839
  822   3HG2  THR 104          1HG2      THR 104 -25.134  12.429  -5.599
  823    HA   PRO 105           HA       PRO 105 -28.483  16.178 -10.760
  824   1HB   PRO 105          1HB       PRO 105 -30.095  14.541 -12.247
  825   2HB   PRO 105          2HB       PRO 105 -28.510  15.107 -12.812
  826   1HG   PRO 105          1HG       PRO 105 -29.277  12.479 -11.649
  827   2HG   PRO 105          2HG       PRO 105 -28.149  12.846 -12.961
  828   1HD   PRO 105          1HD       PRO 105 -27.362  12.254 -10.417
  829   2HD   PRO 105          2HD       PRO 105 -26.415  13.265 -11.531
  830    H    LYS 106           H        LYS 106 -29.182  16.139  -8.320
  831    HA   LYS 106           HA       LYS 106 -31.989  15.128  -8.177
  832   1HB   LYS 106          1HB       LYS 106 -29.606  14.393  -6.545
  833   2HB   LYS 106          2HB       LYS 106 -31.124  14.610  -5.673
  834   1HG   LYS 106          1HG       LYS 106 -32.036  13.133  -7.726
  835   2HG   LYS 106          2HG       LYS 106 -30.372  12.547  -7.685
  836   1HD   LYS 106          1HD       LYS 106 -31.912  12.760  -5.118
  837   2HD   LYS 106          2HD       LYS 106 -32.202  11.387  -6.188
  838   1HE   LYS 106          1HE       LYS 106 -29.840  10.768  -6.118
  839   2HE   LYS 106          2HE       LYS 106 -29.464  12.213  -5.157
  840   1HZ   LYS 106          1HZ       LYS 106 -31.476  10.194  -4.334
  841   2HZ   LYS 106          3HZ       LYS 106 -29.859  10.137  -3.829
  842   3HZ   LYS 106          2HZ       LYS 106 -30.834  11.459  -3.399
  843    H    LYS 107           H        LYS 107 -33.359  16.500  -6.888
  844    HA   LYS 107           HA       LYS 107 -32.025  18.936  -5.743
  845   1HB   LYS 107          1HB       LYS 107 -34.255  18.509  -7.657
  846   2HB   LYS 107          2HB       LYS 107 -34.514  19.771  -6.452
  847   1HG   LYS 107          1HG       LYS 107 -31.853  19.741  -7.779
  848   2HG   LYS 107          2HG       LYS 107 -33.223  20.226  -8.778
  849   1HD   LYS 107          1HD       LYS 107 -32.332  22.219  -7.740
  850   2HD   LYS 107          2HD       LYS 107 -33.870  21.849  -6.959
  851   1HE   LYS 107          1HE       LYS 107 -32.671  20.746  -5.097
  852   2HE   LYS 107          2HE       LYS 107 -31.122  21.125  -5.878
  853   1HZ   LYS 107          3HZ       LYS 107 -33.181  23.164  -5.231
  854   2HZ   LYS 107          2HZ       LYS 107 -31.863  22.812  -4.218
  855   3HZ   LYS 107          1HZ       LYS 107 -31.598  23.440  -5.773
  856    H    LYS 108           H        LYS 108 -35.305  17.393  -5.687
  857    HA   LYS 108           HA       LYS 108 -35.136  17.317  -2.704
  858   1HB   LYS 108          1HB       LYS 108 -36.289  19.394  -3.967
  859   2HB   LYS 108          2HB       LYS 108 -37.655  18.278  -3.986
  860   1HG   LYS 108          1HG       LYS 108 -37.907  19.448  -1.947
  861   2HG   LYS 108          2HG       LYS 108 -37.153  17.925  -1.474
  862   1HD   LYS 108          1HD       LYS 108 -35.809  19.467  -0.354
  863   2HD   LYS 108          2HD       LYS 108 -34.910  19.249  -1.856
  864   1HE   LYS 108          1HE       LYS 108 -35.009  21.580  -1.765
  865   2HE   LYS 108          2HE       LYS 108 -36.500  21.245  -2.669
  866   1HZ   LYS 108          2HZ       LYS 108 -37.642  21.062  -0.481
  867   2HZ   LYS 108          1HZ       LYS 108 -36.229  21.643   0.261
  868   3HZ   LYS 108          3HZ       LYS 108 -37.077  22.625  -0.831
  869    H    ALA 109           H        ALA 109 -34.983  15.094  -4.587
  870    HA   ALA 109           HA       ALA 109 -37.590  13.734  -3.978
  871   1HB   ALA 109          1HB       ALA 109 -37.722  13.021  -6.176
  872   2HB   ALA 109          2HB       ALA 109 -35.970  12.995  -6.377
  873   3HB   ALA 109          3HB       ALA 109 -36.842  14.527  -6.432
  874    H    VAL 110           H        VAL 110 -37.268  11.857  -2.763
  875    HA   VAL 110           HA       VAL 110 -34.595  10.513  -2.971
  876    HB   VAL 110           HB       VAL 110 -34.762  11.920  -0.950
  877   1HG1  VAL 110          2HG1      VAL 110 -37.275  10.298  -0.485
  878   2HG1  VAL 110          1HG1      VAL 110 -36.473  11.206   0.798
  879   3HG1  VAL 110          3HG1      VAL 110 -37.129  12.051  -0.604
  880   1HG2  VAL 110          2HG2      VAL 110 -33.707   9.549  -0.972
  881   2HG2  VAL 110          1HG2      VAL 110 -34.035  10.289   0.595
  882   3HG2  VAL 110          3HG2      VAL 110 -35.128   9.065  -0.048
  883    H    VAL 111           H        VAL 111 -34.678   8.183  -2.797
  884    HA   VAL 111           HA       VAL 111 -37.409   6.983  -2.536
  885    HB   VAL 111           HB       VAL 111 -36.828   5.551  -4.492
  886   1HG1  VAL 111          2HG1      VAL 111 -38.081   7.668  -4.802
  887   2HG1  VAL 111          1HG1      VAL 111 -36.555   8.525  -5.028
  888   3HG1  VAL 111          3HG1      VAL 111 -37.063   7.304  -6.196
  889   1HG2  VAL 111          2HG2      VAL 111 -34.329   5.757  -4.154
  890   2HG2  VAL 111          1HG2      VAL 111 -34.855   6.010  -5.818
  891   3HG2  VAL 111          3HG2      VAL 111 -34.436   7.391  -4.805
  892    H    GLN 112           H        GLN 112 -37.412   4.943  -1.452
  893    HA   GLN 112           HA       GLN 112 -34.730   3.994  -0.490
  894   1HB   GLN 112          1HB       GLN 112 -37.481   4.147   0.756
  895   2HB   GLN 112          2HB       GLN 112 -36.210   3.135   1.443
  896   1HG   GLN 112          1HG       GLN 112 -34.765   5.045   1.761
  897   2HG   GLN 112          2HG       GLN 112 -35.876   6.092   0.877
  898   1HE2  GLN 112          1HE2      GLN 112 -36.983   7.428   2.360
  899   2HE2  GLN 112          2HE2      GLN 112 -37.566   6.906   3.866
  900    H    ALA 113           H        ALA 113 -34.201   2.055  -1.519
  901    HA   ALA 113           HA       ALA 113 -36.412   0.068  -1.930
  902   1HB   ALA 113          3HB       ALA 113 -35.552  -0.363  -4.130
  903   2HB   ALA 113          2HB       ALA 113 -35.640   1.393  -3.980
  904   3HB   ALA 113          1HB       ALA 113 -34.089   0.571  -3.810
  905    H    LYS 114           H        LYS 114 -35.896  -1.744  -0.691
  906    HA   LYS 114           HA       LYS 114 -32.987  -2.429  -0.387
  907   1HB   LYS 114          1HB       LYS 114 -34.231  -1.606   1.640
  908   2HB   LYS 114          2HB       LYS 114 -35.313  -2.989   1.480
  909   1HG   LYS 114          1HG       LYS 114 -33.723  -4.493   2.176
  910   2HG   LYS 114          2HG       LYS 114 -32.392  -3.564   1.482
  911   1HD   LYS 114          1HD       LYS 114 -33.895  -2.353   3.763
  912   2HD   LYS 114          2HD       LYS 114 -32.775  -3.668   4.119
  913   1HE   LYS 114          1HE       LYS 114 -30.952  -2.446   2.990
  914   2HE   LYS 114          2HE       LYS 114 -32.073  -1.123   2.612
  915   1HZ   LYS 114          1HZ       LYS 114 -32.577  -1.008   5.025
  916   2HZ   LYS 114          3HZ       LYS 114 -31.321  -2.112   5.309
  917   3HZ   LYS 114          2HZ       LYS 114 -30.975  -0.586   4.648
  918    H    LEU 115           H        LEU 115 -32.521  -4.282  -1.587
  919    HA   LEU 115           HA       LEU 115 -34.641  -6.407  -1.720
  920   1HB   LEU 115          1HB       LEU 115 -32.766  -5.236  -3.777
  921   2HB   LEU 115          2HB       LEU 115 -33.466  -6.840  -3.999
  922    HG   LEU 115           HG       LEU 115 -35.241  -4.517  -3.298
  923   1HD1  LEU 115          2HD1      LEU 115 -33.899  -5.094  -5.912
  924   2HD1  LEU 115          1HD1      LEU 115 -35.573  -4.543  -5.932
  925   3HD1  LEU 115          3HD1      LEU 115 -34.325  -3.542  -5.191
  926   1HD2  LEU 115          2HD2      LEU 115 -35.479  -7.278  -4.402
  927   2HD2  LEU 115          1HD2      LEU 115 -36.539  -6.421  -3.284
  928   3HD2  LEU 115          3HD2      LEU 115 -36.614  -6.074  -5.012
  929    H    THR 116           H        THR 116 -33.910  -8.512  -1.204
  930    HA   THR 116           HA       THR 116 -30.959  -8.818  -0.724
  931    HB   THR 116           HB       THR 116 -33.220 -10.223   0.720
  932    HG1  THR 116           HG1      THR 116 -33.180  -8.608   2.193
  933   1HG2  THR 116          1HG2      THR 116 -30.899 -11.160   0.842
  934   2HG2  THR 116          3HG2      THR 116 -30.364  -9.630   1.538
  935   3HG2  THR 116          2HG2      THR 116 -31.524 -10.636   2.406
  936    H    THR 117           H        THR 117 -30.004 -10.723  -1.587
  937    HA   THR 117           HA       THR 117 -31.862 -12.578  -3.048
  938    HB   THR 117           HB       THR 117 -29.735 -12.837  -4.514
  939    HG1  THR 117           HG1      THR 117 -28.261 -11.220  -4.322
  940   1HG2  THR 117          1HG2      THR 117 -31.836 -11.568  -5.107
  941   2HG2  THR 117          3HG2      THR 117 -31.060 -10.116  -4.474
  942   3HG2  THR 117          2HG2      THR 117 -30.370 -10.948  -5.869

  No H/Q in entry =         942
  Start of MODEL   28
    1    H1   MET   1           H        MET   1 -15.580 -16.351 -10.852
    2    H2   MET   1           HN2      MET   1 -16.466 -15.786 -12.188
    3    HA   MET   1           HA       MET   1 -14.106 -15.054 -12.211
    4   1HB   MET   1          1HB       MET   1 -16.584 -13.409 -12.247
    5   2HB   MET   1          2HB       MET   1 -15.062 -12.518 -12.285
    6   1HG   MET   1          1HG       MET   1 -14.387 -13.502 -14.304
    7   2HG   MET   1          2HG       MET   1 -15.480 -14.872 -14.112
    8   1HE   MET   1          1HE       MET   1 -14.868 -11.344 -14.605
    9   2HE   MET   1          3HE       MET   1 -16.134 -10.707 -15.664
   10   3HE   MET   1          2HE       MET   1 -16.390 -10.777 -13.922
   11    H    ALA   2           H        ALA   2 -13.096 -15.537 -10.032
   12    HA   ALA   2           HA       ALA   2 -12.928 -13.051  -8.383
   13   1HB   ALA   2          3HB       ALA   2 -13.268 -15.854  -7.273
   14   2HB   ALA   2          2HB       ALA   2 -13.307 -14.339  -6.371
   15   3HB   ALA   2          1HB       ALA   2 -14.610 -14.731  -7.493
   16    H    GLU   3           H        GLU   3 -10.769 -12.950  -9.577
   17    HA   GLU   3           HA       GLU   3  -8.762 -14.713  -8.220
   18   1HB   GLU   3          1HB       GLU   3  -7.596 -14.843 -10.422
   19   2HB   GLU   3          2HB       GLU   3  -9.207 -15.553 -10.483
   20   1HG   GLU   3          1HG       GLU   3  -9.116 -12.663 -11.104
   21   2HG   GLU   3          2HG       GLU   3  -8.273 -13.689 -12.263
   22    H    GLN   4           H        GLN   4  -9.305 -12.139  -7.241
   23    HA   GLN   4           HA       GLN   4  -6.811 -10.686  -8.013
   24   1HB   GLN   4          1HB       GLN   4  -9.641  -9.595  -7.881
   25   2HB   GLN   4          2HB       GLN   4  -8.205  -8.578  -7.999
   26   1HG   GLN   4          1HG       GLN   4  -8.552  -8.776 -10.243
   27   2HG   GLN   4          2HG       GLN   4  -7.745 -10.328 -10.038
   28   1HE2  GLN   4          1HE2      GLN   4  -9.801  -9.813 -12.088
   29   2HE2  GLN   4          2HE2      GLN   4 -11.115 -10.820 -11.722
   30    H    ARG   5           H        ARG   5  -5.684 -10.500  -6.057
   31    HA   ARG   5           HA       ARG   5  -7.310 -10.025  -3.577
   32   1HB   ARG   5          1HB       ARG   5  -5.160 -11.871  -4.313
   33   2HB   ARG   5          2HB       ARG   5  -4.783 -10.971  -2.845
   34   1HG   ARG   5          1HG       ARG   5  -6.638 -11.814  -1.695
   35   2HG   ARG   5          2HG       ARG   5  -7.500 -12.216  -3.181
   36   1HD   ARG   5          1HD       ARG   5  -5.772 -13.988  -3.638
   37   2HD   ARG   5          2HD       ARG   5  -5.082 -13.656  -2.038
   38    HE   ARG   5           HE       ARG   5  -7.385 -14.189  -1.113
   39   1HH1  ARG   5          1HH1      ARG   5  -8.121 -14.422  -4.228
   40   2HH1  ARG   5          2HH1      ARG   5  -8.466 -16.118  -4.278
   41   1HH2  ARG   5          1HH2      ARG   5  -7.088 -16.760  -1.161
   42   2HH2  ARG   5          2HH2      ARG   5  -7.883 -17.442  -2.542
   43    H    PHE   6           H        PHE   6  -6.572  -8.362  -2.143
   44    HA   PHE   6           HA       PHE   6  -4.193  -6.760  -3.014
   45   1HB   PHE   6          1HB       PHE   6  -7.046  -6.104  -3.108
   46   2HB   PHE   6          2HB       PHE   6  -6.142  -4.937  -2.149
   47    HD1  PHE   6           HD1      PHE   6  -3.985  -3.933  -3.201
   48    HD2  PHE   6           HD2      PHE   6  -7.015  -6.015  -5.432
   49    HE1  PHE   6           HE1      PHE   6  -3.194  -2.861  -5.286
   50    HE2  PHE   6           HE2      PHE   6  -6.219  -4.944  -7.513
   51    HZ   PHE   6           HZ       PHE   6  -4.309  -3.367  -7.446
   52    H    CYS   7           H        CYS   7  -2.983  -6.051  -1.204
   53    HA   CYS   7           HA       CYS   7  -4.342  -5.846   1.450
   54   1HB   CYS   7          1HB       CYS   7  -2.354  -7.932   0.592
   55   2HB   CYS   7          2HB       CYS   7  -2.276  -7.338   2.251
   56    HG   CYS   7           HG       CYS   7  -4.587  -9.001   1.048
   57    H    VAL   8           H        VAL   8  -2.855  -4.736   3.074
   58    HA   VAL   8           HA       VAL   8  -0.894  -3.004   1.633
   59    HB   VAL   8           HB       VAL   8  -1.213  -1.430   3.435
   60   1HG1  VAL   8          3HG1      VAL   8  -3.777  -2.710   2.481
   61   2HG1  VAL   8          2HG1      VAL   8  -3.760  -1.232   3.440
   62   3HG1  VAL   8          1HG1      VAL   8  -2.978  -1.267   1.861
   63   1HG2  VAL   8          2HG2      VAL   8  -2.212  -3.816   4.886
   64   2HG2  VAL   8          1HG2      VAL   8  -1.367  -2.397   5.495
   65   3HG2  VAL   8          3HG2      VAL   8  -3.101  -2.325   5.188
   66    H    ASP   9           H        ASP   9   1.262  -3.498   1.853
   67    HA   ASP   9           HA       ASP   9   2.115  -4.994   4.312
   68   1HB   ASP   9          1HB       ASP   9   2.830  -5.059   1.402
   69   2HB   ASP   9          2HB       ASP   9   4.089  -5.459   2.571
   70    H    TYR  10           H        TYR  10   3.999  -4.195   5.417
   71    HA   TYR  10           HA       TYR  10   4.734  -1.376   4.708
   72   1HB   TYR  10          1HB       TYR  10   4.315  -2.933   7.132
   73   2HB   TYR  10          2HB       TYR  10   5.904  -2.173   7.162
   74    HD1  TYR  10           HD1      TYR  10   5.694   0.347   5.931
   75    HD2  TYR  10           HD2      TYR  10   2.717  -1.683   8.278
   76    HE1  TYR  10           HE1      TYR  10   4.651   2.525   6.492
   77    HE2  TYR  10           HE2      TYR  10   1.677   0.496   8.835
   78    HH   TYR  10           HH       TYR  10   2.911   3.180   8.827
   79    H    ALA  11           H        ALA  11   6.971  -0.792   4.375
   80    HA   ALA  11           HA       ALA  11   8.673  -3.041   3.468
   81   1HB   ALA  11          2HB       ALA  11   9.380  -0.098   3.640
   82   2HB   ALA  11          1HB       ALA  11  10.056  -1.307   2.550
   83   3HB   ALA  11          3HB       ALA  11   8.393  -0.757   2.336
   84    H    LYS  12           H        LYS  12  10.243  -4.018   4.748
   85    HA   LYS  12           HA       LYS  12  11.523  -2.452   6.924
   86   1HB   LYS  12          1HB       LYS  12   9.262  -3.808   7.483
   87   2HB   LYS  12          2HB       LYS  12  10.426  -5.120   7.675
   88   1HG   LYS  12          1HG       LYS  12  11.614  -3.968   9.375
   89   2HG   LYS  12          2HG       LYS  12  10.847  -2.430   8.980
   90   1HD   LYS  12          1HD       LYS  12   8.626  -3.697   9.578
   91   2HD   LYS  12          2HD       LYS  12   9.704  -4.789  10.449
   92   1HE   LYS  12          1HE       LYS  12   9.391  -3.261  12.147
   93   2HE   LYS  12          2HE       LYS  12  10.669  -2.377  11.288
   94   1HZ   LYS  12          3HZ       LYS  12   7.772  -2.130  10.678
   95   2HZ   LYS  12          2HZ       LYS  12   8.630  -1.039  11.656
   96   3HZ   LYS  12          1HZ       LYS  12   9.034  -1.211  10.016
   97    H    ARG  13           H        ARG  13  12.575  -3.629   4.422
   98    HA   ARG  13           HA       ARG  13  14.767  -5.209   5.589
   99   1HB   ARG  13          1HB       ARG  13  12.509  -6.573   4.918
  100   2HB   ARG  13          2HB       ARG  13  13.380  -6.632   3.386
  101   1HG   ARG  13          1HG       ARG  13  15.044  -7.963   4.224
  102   2HG   ARG  13          2HG       ARG  13  14.987  -7.208   5.817
  103   1HD   ARG  13          1HD       ARG  13  13.331  -8.632   6.584
  104   2HD   ARG  13          2HD       ARG  13  12.618  -8.835   4.971
  105    HE   ARG  13           HE       ARG  13  15.260 -10.044   5.707
  106   1HH1  ARG  13          1HH1      ARG  13  14.441 -12.381   5.896
  107   2HH1  ARG  13          2HH1      ARG  13  13.650 -12.947   4.463
  108   1HH2  ARG  13          1HH2      ARG  13  13.254  -9.778   3.112
  109   2HH2  ARG  13          2HH2      ARG  13  12.978 -11.473   2.887
  110    H    GLY  14           H        GLY  14  14.986  -2.749   4.266
  111   1HA   GLY  14          2HA       GLY  14  16.315  -3.568   1.725
  112   2HA   GLY  14          1HA       GLY  14  16.730  -2.136   2.670
  113    H    THR  15           H        THR  15  15.888  -2.378  -0.237
  114    HA   THR  15           HA       THR  15  13.354  -0.781  -0.133
  115    HB   THR  15           HB       THR  15  15.297   0.717  -0.242
  116    HG1  THR  15           HG1      THR  15  14.660   1.809  -2.052
  117   1HG2  THR  15          1HG2      THR  15  16.247  -1.330  -2.109
  118   2HG2  THR  15          3HG2      THR  15  16.428   0.305  -2.744
  119   3HG2  THR  15          2HG2      THR  15  17.162  -0.128  -1.200
  120    H    ALA  16           H        ALA  16  12.011  -1.008  -2.040
  121    HA   ALA  16           HA       ALA  16  12.963  -3.040  -4.025
  122   1HB   ALA  16          3HB       ALA  16  10.095  -2.886  -3.155
  123   2HB   ALA  16          2HB       ALA  16  11.007  -4.285  -3.721
  124   3HB   ALA  16          1HB       ALA  16  11.259  -3.670  -2.088
  125    H    GLY  17           H        GLY  17  12.678  -2.413  -6.159
  126   1HA   GLY  17          2HA       GLY  17  11.971  -1.129  -7.986
  127   2HA   GLY  17          1HA       GLY  17  11.813   0.205  -6.841
  128    H    CYS  18           H        CYS  18   9.748   1.033  -6.843
  129    HA   CYS  18           HA       CYS  18   7.427  -0.566  -6.300
  130   1HB   CYS  18          1HB       CYS  18   7.534   1.812  -5.794
  131   2HB   CYS  18          2HB       CYS  18   7.784   2.207  -7.491
  132    H    LYS  19           H        LYS  19   5.958  -1.594  -7.660
  133    HA   LYS  19           HA       LYS  19   6.651  -1.756 -10.549
  134   1HB   LYS  19          1HB       LYS  19   4.856  -3.225  -8.621
  135   2HB   LYS  19          2HB       LYS  19   4.584  -3.392 -10.355
  136   1HG   LYS  19          1HG       LYS  19   7.391  -3.676  -9.397
  137   2HG   LYS  19          2HG       LYS  19   6.279  -4.992  -9.017
  138   1HD   LYS  19          1HD       LYS  19   5.668  -5.173 -11.400
  139   2HD   LYS  19          2HD       LYS  19   6.779  -3.857 -11.785
  140   1HE   LYS  19          1HE       LYS  19   8.223  -5.618 -12.174
  141   2HE   LYS  19          2HE       LYS  19   8.462  -5.498 -10.419
  142   1HZ   LYS  19          3HZ       LYS  19   6.566  -7.022 -10.138
  143   2HZ   LYS  19          2HZ       LYS  19   6.486  -7.218 -11.824
  144   3HZ   LYS  19          1HZ       LYS  19   7.856  -7.746 -10.968
  145    H    LYS  20           H        LYS  20   5.026  -1.125 -12.204
  146    HA   LYS  20           HA       LYS  20   3.343   0.286 -13.069
  147   1HB   LYS  20          1HB       LYS  20   2.287  -1.079 -10.808
  148   2HB   LYS  20          2HB       LYS  20   1.792   0.607 -10.623
  149   1HG   LYS  20          1HG       LYS  20   0.622   0.623 -12.665
  150   2HG   LYS  20          2HG       LYS  20   1.486  -0.790 -13.275
  151   1HD   LYS  20          1HD       LYS  20   0.344  -1.872 -11.071
  152   2HD   LYS  20          2HD       LYS  20  -0.861  -0.643 -11.458
  153   1HE   LYS  20          1HE       LYS  20  -1.349  -1.593 -13.551
  154   2HE   LYS  20          2HE       LYS  20   0.204  -2.449 -13.628
  155   1HZ   LYS  20          3HZ       LYS  20  -1.953  -2.981 -11.652
  156   2HZ   LYS  20          2HZ       LYS  20  -1.612  -3.947 -13.007
  157   3HZ   LYS  20          1HZ       LYS  20  -0.473  -3.803 -11.754
  158    H    CYS  21           H        CYS  21   5.776   1.447 -11.744
  159    HA   CYS  21           HA       CYS  21   5.099   4.225 -11.756
  160   1HB   CYS  21          1HB       CYS  21   4.014   4.304  -9.748
  161   2HB   CYS  21          2HB       CYS  21   4.614   2.735  -9.268
  162    H    LYS  22           H        LYS  22   7.048   5.554 -11.506
  163    HA   LYS  22           HA       LYS  22   9.561   3.950 -11.660
  164   1HB   LYS  22          1HB       LYS  22   8.787   6.813 -12.289
  165   2HB   LYS  22          2HB       LYS  22  10.461   6.260 -12.346
  166   1HG   LYS  22          1HG       LYS  22  10.125   4.995 -14.228
  167   2HG   LYS  22          2HG       LYS  22   8.473   4.573 -13.773
  168   1HD   LYS  22          1HD       LYS  22   8.996   7.434 -14.410
  169   2HD   LYS  22          2HD       LYS  22   9.017   6.301 -15.763
  170   1HE   LYS  22          1HE       LYS  22   6.774   5.413 -14.693
  171   2HE   LYS  22          2HE       LYS  22   6.737   7.021 -13.940
  172   1HZ   LYS  22          2HZ       LYS  22   7.221   6.555 -16.833
  173   2HZ   LYS  22          1HZ       LYS  22   5.700   6.945 -16.185
  174   3HZ   LYS  22          3HZ       LYS  22   6.982   8.050 -16.062
  175    H    GLU  23           H        GLU  23   9.101   3.592  -9.146
  176    HA   GLU  23           HA       GLU  23  10.776   5.572  -7.697
  177   1HB   GLU  23          1HB       GLU  23   8.144   5.964  -7.744
  178   2HB   GLU  23          2HB       GLU  23   8.171   4.751  -6.471
  179   1HG   GLU  23          1HG       GLU  23   9.240   6.139  -4.987
  180   2HG   GLU  23          2HG       GLU  23  10.175   6.935  -6.253
  181    H    LYS  24           H        LYS  24  10.791   4.623  -5.175
  182    HA   LYS  24           HA       LYS  24  11.128   1.634  -5.330
  183   1HB   LYS  24          1HB       LYS  24  12.972   3.784  -4.236
  184   2HB   LYS  24          2HB       LYS  24  13.208   2.056  -3.967
  185   1HG   LYS  24          1HG       LYS  24  12.901   2.049  -6.652
  186   2HG   LYS  24          2HG       LYS  24  13.594   3.658  -6.441
  187   1HD   LYS  24          1HD       LYS  24  15.457   2.194  -6.724
  188   2HD   LYS  24          2HD       LYS  24  15.385   2.540  -4.996
  189   1HE   LYS  24          1HE       LYS  24  14.854   0.380  -4.463
  190   2HE   LYS  24          2HE       LYS  24  13.786   0.199  -5.870
  191   1HZ   LYS  24          3HZ       LYS  24  15.750   0.147  -7.295
  192   2HZ   LYS  24          2HZ       LYS  24  16.758   0.261  -5.932
  193   3HZ   LYS  24          1HZ       LYS  24  15.790  -1.116  -6.164
  194    H    ILE  25           H        ILE  25  10.733   0.552  -3.299
  195    HA   ILE  25           HA       ILE  25   9.252   2.229  -1.304
  196    HB   ILE  25           HB       ILE  25   9.314  -0.778  -1.780
  197   1HG1  ILE  25          1HG1      ILE  25   6.907   0.897  -2.341
  198   2HG1  ILE  25          2HG1      ILE  25   8.233   0.997  -3.496
  199   1HG2  ILE  25          1HG2      ILE  25   8.658   0.334   0.536
  200   2HG2  ILE  25          3HG2      ILE  25   7.150   0.676  -0.311
  201   3HG2  ILE  25          2HG2      ILE  25   7.700  -0.990  -0.128
  202   1HD1  ILE  25          1HD1      ILE  25   7.559  -1.750  -2.645
  203   2HD1  ILE  25          3HD1      ILE  25   6.290  -0.928  -3.553
  204   3HD1  ILE  25          2HD1      ILE  25   7.895  -1.120  -4.258
  205    H    VAL  26           H        VAL  26  10.960   2.976   0.059
  206    HA   VAL  26           HA       VAL  26  13.045   1.080   0.975
  207    HB   VAL  26           HB       VAL  26  12.436   3.950   1.770
  208   1HG1  VAL  26          1HG1      VAL  26  14.815   2.131   2.214
  209   2HG1  VAL  26          3HG1      VAL  26  14.911   3.885   2.379
  210   3HG1  VAL  26          2HG1      VAL  26  13.846   2.957   3.435
  211   1HG2  VAL  26          3HG2      VAL  26  12.929   3.531  -0.684
  212   2HG2  VAL  26          2HG2      VAL  26  14.078   4.596   0.125
  213   3HG2  VAL  26          1HG2      VAL  26  14.505   2.914  -0.189
  214    H    LYS  27           H        LYS  27  13.402   0.596   3.274
  215    HA   LYS  27           HA       LYS  27  11.168  -0.398   4.681
  216   1HB   LYS  27          1HB       LYS  27  12.690  -0.390   6.665
  217   2HB   LYS  27          2HB       LYS  27  13.489  -0.986   5.210
  218   1HG   LYS  27          1HG       LYS  27  13.971   1.722   5.050
  219   2HG   LYS  27          2HG       LYS  27  14.035   1.442   6.790
  220   1HD   LYS  27          1HD       LYS  27  15.453  -0.521   5.052
  221   2HD   LYS  27          2HD       LYS  27  16.176   1.081   5.208
  222   1HE   LYS  27          1HE       LYS  27  15.791   0.743   7.776
  223   2HE   LYS  27          2HE       LYS  27  15.681  -0.977   7.353
  224   1HZ   LYS  27          3HZ       LYS  27  17.764  -0.656   6.047
  225   2HZ   LYS  27          2HZ       LYS  27  17.907   0.889   6.741
  226   3HZ   LYS  27          1HZ       LYS  27  17.966  -0.495   7.724
  227    H    GLY  28           H        GLY  28   9.441   0.642   5.678
  228   1HA   GLY  28          2HA       GLY  28   9.936   3.417   6.685
  229   2HA   GLY  28          1HA       GLY  28   8.879   2.275   7.508
  230    H    VAL  29           H        VAL  29   8.665   2.263   3.993
  231    HA   VAL  29           HA       VAL  29   6.375   4.168   4.091
  232    HB   VAL  29           HB       VAL  29   6.633   4.309   1.698
  233   1HG1  VAL  29          2HG1      VAL  29   9.355   4.068   3.000
  234   2HG1  VAL  29          1HG1      VAL  29   9.038   4.876   1.465
  235   3HG1  VAL  29          3HG1      VAL  29   8.345   5.513   2.956
  236   1HG2  VAL  29          3HG2      VAL  29   6.925   1.862   1.274
  237   2HG2  VAL  29          2HG2      VAL  29   8.099   2.844   0.400
  238   3HG2  VAL  29          1HG2      VAL  29   8.582   1.984   1.861
  239    H    CYS  30           H        CYS  30   4.243   3.470   3.854
  240    HA   CYS  30           HA       CYS  30   3.756   0.566   3.937
  241   1HB   CYS  30          1HB       CYS  30   1.419   1.218   4.264
  242   2HB   CYS  30          2HB       CYS  30   2.443   2.246   5.259
  243    HG   CYS  30           HG       CYS  30   1.518   3.343   2.489
  244    H    ARG  31           H        ARG  31   3.234  -0.740   2.185
  245    HA   ARG  31           HA       ARG  31   2.445   0.614  -0.378
  246   1HB   ARG  31          1HB       ARG  31   3.972  -1.016  -1.511
  247   2HB   ARG  31          2HB       ARG  31   4.836   0.066  -0.419
  248   1HG   ARG  31          1HG       ARG  31   5.277  -1.608   1.115
  249   2HG   ARG  31          2HG       ARG  31   3.837  -2.527   0.687
  250   1HD   ARG  31          1HD       ARG  31   4.905  -3.124  -1.495
  251   2HD   ARG  31          2HD       ARG  31   6.382  -2.301  -0.954
  252    HE   ARG  31           HE       ARG  31   5.168  -4.612   0.519
  253   1HH1  ARG  31          1HH1      ARG  31   6.848  -4.330   2.424
  254   2HH1  ARG  31          2HH1      ARG  31   8.471  -4.594   1.880
  255   1HH2  ARG  31          1HH2      ARG  31   7.684  -4.249  -1.479
  256   2HH2  ARG  31          2HH2      ARG  31   8.945  -4.549  -0.329
  257    H    ILE  32           H        ILE  32   0.999  -0.667  -1.716
  258    HA   ILE  32           HA       ILE  32  -0.255  -2.953  -0.239
  259    HB   ILE  32           HB       ILE  32  -1.404  -1.457  -2.613
  260   1HG1  ILE  32          1HG1      ILE  32  -1.821  -0.770   0.321
  261   2HG1  ILE  32          2HG1      ILE  32  -0.813   0.172  -0.778
  262   1HG2  ILE  32          3HG2      ILE  32  -2.316  -3.689  -1.678
  263   2HG2  ILE  32          2HG2      ILE  32  -2.866  -2.727  -0.307
  264   3HG2  ILE  32          1HG2      ILE  32  -3.458  -2.370  -1.930
  265   1HD1  ILE  32          3HD1      ILE  32  -3.080   0.028  -2.249
  266   2HD1  ILE  32          2HD1      ILE  32  -3.771  -0.027  -0.627
  267   3HD1  ILE  32          1HD1      ILE  32  -2.756   1.333  -1.108
  268    H    GLY  33           H        GLY  33  -0.060  -5.020  -1.115
  269   1HA   GLY  33          2HA       GLY  33   1.236  -6.466  -2.613
  270   2HA   GLY  33          1HA       GLY  33   1.119  -5.213  -3.852
  271    H    LYS  34           H        LYS  34  -0.062  -6.323  -5.477
  272    HA   LYS  34           HA       LYS  34  -2.818  -7.166  -4.656
  273   1HB   LYS  34          1HB       LYS  34  -2.649  -5.350  -6.300
  274   2HB   LYS  34          2HB       LYS  34  -1.622  -6.342  -7.330
  275   1HG   LYS  34          1HG       LYS  34  -3.491  -7.985  -7.542
  276   2HG   LYS  34          2HG       LYS  34  -4.515  -6.896  -6.607
  277   1HD   LYS  34          1HD       LYS  34  -5.069  -6.200  -8.741
  278   2HD   LYS  34          2HD       LYS  34  -3.695  -5.138  -8.435
  279   1HE   LYS  34          1HE       LYS  34  -2.393  -7.326  -9.401
  280   2HE   LYS  34          2HE       LYS  34  -3.918  -7.428 -10.306
  281   1HZ   LYS  34          3HZ       LYS  34  -2.258  -4.977 -10.023
  282   2HZ   LYS  34          2HZ       LYS  34  -2.311  -5.962 -11.407
  283   3HZ   LYS  34          1HZ       LYS  34  -3.696  -5.111 -10.912
  284    H    VAL  35           H        VAL  35  -2.782  -9.431  -4.307
  285    HA   VAL  35           HA       VAL  35  -0.943 -11.129  -5.899
  286    HB   VAL  35           HB       VAL  35  -3.047 -11.825  -3.815
  287   1HG1  VAL  35          2HG1      VAL  35  -0.783 -13.400  -5.070
  288   2HG1  VAL  35          1HG1      VAL  35  -1.600 -13.898  -3.589
  289   3HG1  VAL  35          3HG1      VAL  35  -2.504 -13.786  -5.099
  290   1HG2  VAL  35          2HG2      VAL  35  -0.269 -10.794  -3.669
  291   2HG2  VAL  35          1HG2      VAL  35  -1.572 -10.692  -2.484
  292   3HG2  VAL  35          3HG2      VAL  35  -0.617 -12.169  -2.619
  293    H    VAL  36           H        VAL  36  -1.552 -11.895  -7.912
  294    HA   VAL  36           HA       VAL  36  -4.480 -12.357  -8.396
  295    HB   VAL  36           HB       VAL  36  -2.264 -11.477 -10.280
  296   1HG1  VAL  36          1HG1      VAL  36  -5.237 -11.894 -10.710
  297   2HG1  VAL  36          3HG1      VAL  36  -4.166 -11.099 -11.866
  298   3HG1  VAL  36          2HG1      VAL  36  -3.928 -12.801 -11.467
  299   1HG2  VAL  36          3HG2      VAL  36  -4.399 -10.046  -8.734
  300   2HG2  VAL  36          2HG2      VAL  36  -2.741  -9.548  -9.073
  301   3HG2  VAL  36          1HG2      VAL  36  -3.970  -9.441 -10.333
  302    HA   PRO  37           HA       PRO  37  -2.665 -16.487  -8.923
  303   1HB   PRO  37          1HB       PRO  37  -5.034 -17.855  -8.998
  304   2HB   PRO  37          2HB       PRO  37  -4.269 -17.332  -7.484
  305   1HG   PRO  37          1HG       PRO  37  -6.534 -16.116  -8.979
  306   2HG   PRO  37          2HG       PRO  37  -6.292 -16.282  -7.233
  307   1HD   PRO  37          1HD       PRO  37  -5.872 -13.960  -8.604
  308   2HD   PRO  37          2HD       PRO  37  -5.032 -14.380  -7.096
  309    H    ASN  38           H        ASN  38  -2.151 -17.445 -10.919
  310    HA   ASN  38           HA       ASN  38  -3.816 -16.634 -13.277
  311   1HB   ASN  38          1HB       ASN  38  -0.951 -17.369 -12.773
  312   2HB   ASN  38          2HB       ASN  38  -1.613 -17.645 -14.384
  313   1HD2  ASN  38          2HD2      ASN  38  -0.340 -15.867 -15.349
  314   2HD2  ASN  38          1HD2      ASN  38  -0.713 -14.247 -15.005
  315    HA   PRO  39           HA       PRO  39  -5.170 -20.789 -13.848
  316   1HB   PRO  39          1HB       PRO  39  -5.239 -21.027 -16.572
  317   2HB   PRO  39          2HB       PRO  39  -6.420 -20.068 -15.658
  318   1HG   PRO  39          1HG       PRO  39  -4.042 -19.171 -17.202
  319   2HG   PRO  39          2HG       PRO  39  -5.636 -18.418 -17.042
  320   1HD   PRO  39          1HD       PRO  39  -3.415 -17.579 -15.687
  321   2HD   PRO  39          2HD       PRO  39  -5.078 -17.345 -15.105
  322    H    PHE  40           H        PHE  40  -4.180 -22.862 -13.956
  323    HA   PHE  40           HA       PHE  40  -2.442 -24.432 -14.196
  324   1HB   PHE  40          1HB       PHE  40  -3.139 -23.490 -16.636
  325   2HB   PHE  40          2HB       PHE  40  -1.441 -23.012 -16.616
  326    HD1  PHE  40           HD1      PHE  40  -3.481 -25.507 -17.743
  327    HD2  PHE  40           HD2      PHE  40   0.033 -25.020 -15.319
  328    HE1  PHE  40           HE1      PHE  40  -2.818 -27.845 -18.234
  329    HE2  PHE  40           HE2      PHE  40   0.696 -27.358 -15.811
  330    HZ   PHE  40           HZ       PHE  40  -0.730 -28.771 -17.269
  331    H    SER  41           H        SER  41  -0.990 -23.972 -12.465
  332    HA   SER  41           HA       SER  41   1.105 -21.891 -13.005
  333   1HB   SER  41          1HB       SER  41   1.305 -21.841 -10.544
  334   2HB   SER  41          2HB       SER  41  -0.365 -21.567 -11.034
  335    HG   SER  41           HG       SER  41  -0.104 -23.132  -9.331
  336    H    GLU  42           H        GLU  42   2.840 -23.028 -13.964
  337    HA   GLU  42           HA       GLU  42   3.615 -25.657 -12.753
  338   1HB   GLU  42          1HB       GLU  42   3.240 -25.474 -15.213
  339   2HB   GLU  42          2HB       GLU  42   4.519 -24.263 -15.299
  340   1HG   GLU  42          1HG       GLU  42   6.201 -25.807 -14.879
  341   2HG   GLU  42          2HG       GLU  42   5.124 -26.897 -14.005
  342    H    SER  43           H        SER  43   5.213 -22.625 -13.929
  343    HA   SER  43           HA       SER  43   7.563 -23.216 -12.203
  344   1HB   SER  43          1HB       SER  43   8.035 -20.775 -13.338
  345   2HB   SER  43          2HB       SER  43   8.385 -22.304 -14.139
  346    HG   SER  43           HG       SER  43   6.194 -20.558 -14.457
  347    H    GLY  44           H        GLY  44   4.960 -20.742 -12.468
  348   1HA   GLY  44          2HA       GLY  44   5.122 -18.738 -10.925
  349   2HA   GLY  44          1HA       GLY  44   5.696 -19.869  -9.699
  350    H    GLY  45           H        GLY  45   2.919 -18.323 -10.928
  351   1HA   GLY  45          2HA       GLY  45   1.208 -20.088  -9.256
  352   2HA   GLY  45          1HA       GLY  45   0.722 -19.808 -10.928
  353    H    ASP  46           H        ASP  46   1.768 -17.866  -8.057
  354    HA   ASP  46           HA       ASP  46  -0.442 -15.948  -8.733
  355   1HB   ASP  46          1HB       ASP  46  -0.008 -17.481  -6.477
  356   2HB   ASP  46          2HB       ASP  46   0.713 -15.940  -6.017
  357    H    MET  47           H        MET  47   0.186 -13.803  -9.136
  358    HA   MET  47           HA       MET  47   3.050 -13.106  -8.558
  359   1HB   MET  47          1HB       MET  47   1.174 -12.687 -10.844
  360   2HB   MET  47          2HB       MET  47   2.352 -11.415 -10.520
  361   1HG   MET  47          1HG       MET  47   3.166 -14.317 -10.706
  362   2HG   MET  47          2HG       MET  47   3.080 -13.284 -12.133
  363   1HE   MET  47          1HE       MET  47   5.522 -14.320 -12.194
  364   2HE   MET  47          3HE       MET  47   6.880 -13.745 -11.218
  365   3HE   MET  47          2HE       MET  47   5.695 -14.845 -10.522
  366    H    LYS  48           H        LYS  48   3.452 -11.066  -7.556
  367    HA   LYS  48           HA       LYS  48   1.090  -9.330  -6.975
  368   1HB   LYS  48          1HB       LYS  48   1.844  -9.251  -4.601
  369   2HB   LYS  48          2HB       LYS  48   1.399 -10.883  -5.093
  370   1HG   LYS  48          1HG       LYS  48   3.753 -11.456  -5.442
  371   2HG   LYS  48          2HG       LYS  48   4.234  -9.805  -5.051
  372   1HD   LYS  48          1HD       LYS  48   4.559 -10.891  -3.008
  373   2HD   LYS  48          2HD       LYS  48   2.931 -10.237  -2.818
  374   1HE   LYS  48          1HE       LYS  48   1.924 -12.319  -2.997
  375   2HE   LYS  48          2HE       LYS  48   3.219 -12.968  -4.025
  376   1HZ   LYS  48          2HZ       LYS  48   3.524 -12.238  -1.160
  377   2HZ   LYS  48          1HZ       LYS  48   3.348 -13.824  -1.741
  378   3HZ   LYS  48          3HZ       LYS  48   4.720 -12.918  -2.155
  379    H    GLU  49           H        GLU  49   1.630  -7.096  -7.036
  380    HA   GLU  49           HA       GLU  49   4.527  -6.491  -7.527
  381   1HB   GLU  49          1HB       GLU  49   1.896  -5.505  -8.552
  382   2HB   GLU  49          2HB       GLU  49   3.225  -4.347  -8.477
  383   1HG   GLU  49          1HG       GLU  49   4.629  -5.829  -9.825
  384   2HG   GLU  49          2HG       GLU  49   3.364  -7.056  -9.833
  385    H    TRP  50           H        TRP  50   5.551  -5.171  -6.002
  386    HA   TRP  50           HA       TRP  50   3.918  -4.143  -3.736
  387   1HB   TRP  50          1HB       TRP  50   6.883  -4.281  -4.357
  388   2HB   TRP  50          2HB       TRP  50   6.258  -3.500  -2.911
  389    HD1  TRP  50           HD1      TRP  50   7.891  -6.446  -3.603
  390    HE1  TRP  50           HE1      TRP  50   7.137  -8.440  -2.174
  391    HE3  TRP  50           HE3      TRP  50   3.382  -4.685  -1.924
  392    HZ2  TRP  50           HZ2      TRP  50   4.915  -9.207  -0.540
  393    HZ3  TRP  50           HZ3      TRP  50   1.977  -6.075  -0.434
  394    HH2  TRP  50           HH2      TRP  50   2.737  -8.331   0.260
  395    H    TYR  51           H        TYR  51   2.980  -2.085  -4.070
  396    HA   TYR  51           HA       TYR  51   4.820  -0.033  -5.163
  397   1HB   TYR  51          1HB       TYR  51   2.557   0.849  -6.310
  398   2HB   TYR  51          2HB       TYR  51   3.654  -0.253  -7.121
  399    HD1  TYR  51           HD1      TYR  51   0.705  -0.366  -4.783
  400    HD2  TYR  51           HD2      TYR  51   2.796  -2.147  -8.086
  401    HE1  TYR  51           HE1      TYR  51  -1.135  -2.029  -5.071
  402    HE2  TYR  51           HE2      TYR  51   0.973  -3.782  -8.378
  403    HH   TYR  51           HH       TYR  51  -1.698  -3.691  -7.703
  404    H    HIS  52           H        HIS  52   3.920   2.249  -4.814
  405    HA   HIS  52           HA       HIS  52   3.282   2.561  -1.994
  406   1HB   HIS  52          1HB       HIS  52   3.226   4.586  -4.258
  407   2HB   HIS  52          2HB       HIS  52   3.342   4.961  -2.547
  408    HD2  HIS  52           HD2      HIS  52   5.880   4.244  -1.337
  409    HE1  HIS  52           HE1      HIS  52   7.931   3.580  -4.979
  410    HE2  HIS  52           HE2      HIS  52   8.157   3.863  -2.496
  411    H    ILE  53           H        ILE  53   1.304   3.658  -1.146
  412    HA   ILE  53           HA       ILE  53  -1.144   2.561  -2.196
  413    HB   ILE  53           HB       ILE  53  -0.605   4.896  -0.318
  414   1HG1  ILE  53          1HG1      ILE  53  -1.337   1.982   0.145
  415   2HG1  ILE  53          2HG1      ILE  53   0.230   2.720   0.471
  416   1HG2  ILE  53          2HG2      ILE  53  -3.193   3.410  -0.886
  417   2HG2  ILE  53          1HG2      ILE  53  -2.964   4.574   0.419
  418   3HG2  ILE  53          3HG2      ILE  53  -2.865   5.101  -1.261
  419   1HD1  ILE  53          2HD1      ILE  53  -0.864   4.249   2.107
  420   2HD1  ILE  53          1HD1      ILE  53  -2.395   3.419   1.819
  421   3HD1  ILE  53          3HD1      ILE  53  -1.044   2.552   2.553
  422    H    LYS  54           H        LYS  54   0.284   5.854  -2.510
  423    HA   LYS  54           HA       LYS  54  -1.826   7.044  -4.023
  424   1HB   LYS  54          1HB       LYS  54   0.378   8.031  -3.024
  425   2HB   LYS  54          2HB       LYS  54   1.091   7.589  -4.575
  426   1HG   LYS  54          1HG       LYS  54   0.363   9.659  -5.203
  427   2HG   LYS  54          2HG       LYS  54  -1.176   8.828  -5.423
  428   1HD   LYS  54          1HD       LYS  54  -0.624   9.736  -2.658
  429   2HD   LYS  54          2HD       LYS  54  -0.851  11.026  -3.838
  430   1HE   LYS  54          1HE       LYS  54  -2.814   8.821  -4.056
  431   2HE   LYS  54          2HE       LYS  54  -2.923   9.776  -2.564
  432   1HZ   LYS  54          3HZ       LYS  54  -2.764  11.795  -3.971
  433   2HZ   LYS  54          2HZ       LYS  54  -2.892  10.810  -5.349
  434   3HZ   LYS  54          1HZ       LYS  54  -4.178  10.898  -4.242
  435    H    CYS  55           H        CYS  55   0.760   4.825  -5.081
  436    HA   CYS  55           HA       CYS  55   0.331   5.252  -7.926
  437   1HB   CYS  55          1HB       CYS  55   1.514   2.891  -6.413
  438   2HB   CYS  55          2HB       CYS  55   1.691   3.177  -8.146
  439    H    MET  56           H        MET  56  -0.944   2.876  -5.573
  440    HA   MET  56           HA       MET  56  -2.536   1.501  -7.622
  441   1HB   MET  56          1HB       MET  56  -1.644   0.571  -5.375
  442   2HB   MET  56          2HB       MET  56  -2.989   1.435  -4.627
  443   1HG   MET  56          1HG       MET  56  -3.714  -0.834  -5.061
  444   2HG   MET  56          2HG       MET  56  -4.543   0.226  -6.199
  445   1HE   MET  56          1HE       MET  56  -5.088  -0.516  -8.017
  446   2HE   MET  56          3HE       MET  56  -3.843   0.207  -9.045
  447   3HE   MET  56          2HE       MET  56  -4.256  -1.497  -9.221
  448    H    PHE  57           H        PHE  57  -3.164   3.973  -5.107
  449    HA   PHE  57           HA       PHE  57  -6.007   4.166  -5.598
  450   1HB   PHE  57          1HB       PHE  57  -3.899   5.802  -4.261
  451   2HB   PHE  57          2HB       PHE  57  -5.381   6.644  -4.714
  452    HD1  PHE  57           HD1      PHE  57  -7.514   6.099  -3.682
  453    HD2  PHE  57           HD2      PHE  57  -3.952   3.929  -2.663
  454    HE1  PHE  57           HE1      PHE  57  -8.676   5.111  -1.727
  455    HE2  PHE  57           HE2      PHE  57  -5.110   2.943  -0.700
  456    HZ   PHE  57           HZ       PHE  57  -7.475   3.533  -0.239
  457    H    GLU  58           H        GLU  58  -3.167   5.669  -7.177
  458    HA   GLU  58           HA       GLU  58  -4.536   7.672  -8.695
  459   1HB   GLU  58          1HB       GLU  58  -2.012   6.086  -8.968
  460   2HB   GLU  58          2HB       GLU  58  -2.566   6.981 -10.384
  461   1HG   GLU  58          1HG       GLU  58  -2.551   9.062  -9.170
  462   2HG   GLU  58          2HG       GLU  58  -2.263   8.230  -7.642
  463    H    LYS  59           H        LYS  59  -4.053   4.185  -9.376
  464    HA   LYS  59           HA       LYS  59  -5.218   4.216 -12.022
  465   1HB   LYS  59          1HB       LYS  59  -3.930   2.364 -10.566
  466   2HB   LYS  59          2HB       LYS  59  -5.582   1.852 -10.219
  467   1HG   LYS  59          1HG       LYS  59  -5.945   2.001 -12.782
  468   2HG   LYS  59          2HG       LYS  59  -4.184   2.002 -12.885
  469   1HD   LYS  59          1HD       LYS  59  -4.035  -0.131 -11.788
  470   2HD   LYS  59          2HD       LYS  59  -5.747  -0.097 -11.363
  471   1HE   LYS  59          1HE       LYS  59  -5.620  -1.529 -13.275
  472   2HE   LYS  59          2HE       LYS  59  -6.175   0.029 -13.923
  473   1HZ   LYS  59          2HZ       LYS  59  -3.844   0.618 -14.330
  474   2HZ   LYS  59          1HZ       LYS  59  -3.360  -0.924 -13.805
  475   3HZ   LYS  59          3HZ       LYS  59  -4.301  -0.763 -15.206
  476    H    LEU  60           H        LEU  60  -6.672   3.784  -8.771
  477    HA   LEU  60           HA       LEU  60  -9.341   3.155  -9.607
  478   1HB   LEU  60          1HB       LEU  60  -8.057   4.404  -7.201
  479   2HB   LEU  60          2HB       LEU  60  -9.811   4.521  -7.348
  480    HG   LEU  60           HG       LEU  60  -9.840   2.016  -7.747
  481   1HD1  LEU  60          2HD1      LEU  60  -6.975   2.295  -6.787
  482   2HD1  LEU  60          1HD1      LEU  60  -7.836   0.770  -6.995
  483   3HD1  LEU  60          3HD1      LEU  60  -7.477   1.779  -8.397
  484   1HD2  LEU  60          1HD2      LEU  60 -10.346   3.107  -5.541
  485   2HD2  LEU  60          3HD2      LEU  60  -9.667   1.487  -5.378
  486   3HD2  LEU  60          2HD2      LEU  60  -8.651   2.901  -5.098
  487    H    GLU  61           H        GLU  61  -7.749   6.341  -9.113
  488    HA   GLU  61           HA       GLU  61 -10.033   7.988  -9.681
  489   1HB   GLU  61          1HB       GLU  61  -7.506   8.487  -8.926
  490   2HB   GLU  61          2HB       GLU  61  -7.315   8.794 -10.652
  491   1HG   GLU  61          1HG       GLU  61  -8.693  10.639 -10.620
  492   2HG   GLU  61          2HG       GLU  61  -9.684  10.005  -9.304
  493    H    ARG  62           H        ARG  62  -7.721   6.338 -11.852
  494    HA   ARG  62           HA       ARG  62  -9.242   7.371 -14.216
  495   1HB   ARG  62          1HB       ARG  62  -6.716   7.640 -13.963
  496   2HB   ARG  62          2HB       ARG  62  -6.597   5.886 -14.123
  497   1HG   ARG  62          1HG       ARG  62  -8.174   6.439 -16.259
  498   2HG   ARG  62          2HG       ARG  62  -7.247   7.936 -16.173
  499   1HD   ARG  62          1HD       ARG  62  -5.197   6.257 -15.891
  500   2HD   ARG  62          2HD       ARG  62  -6.294   5.158 -16.749
  501    HE   ARG  62           HE       ARG  62  -6.363   6.733 -18.602
  502   1HH1  ARG  62          1HH1      ARG  62  -3.574   6.624 -18.810
  503   2HH1  ARG  62          2HH1      ARG  62  -3.007   8.226 -18.479
  504   1HH2  ARG  62          1HH2      ARG  62  -5.952   9.239 -16.952
  505   2HH2  ARG  62          2HH2      ARG  62  -4.353   9.706 -17.427
  506    H    ALA  63           H        ALA  63 -10.231   5.123 -12.413
  507    HA   ALA  63           HA       ALA  63 -10.050   2.840 -14.351
  508   1HB   ALA  63          2HB       ALA  63  -9.190   2.413 -12.086
  509   2HB   ALA  63          3HB       ALA  63 -10.666   1.484 -12.350
  510   3HB   ALA  63          1HB       ALA  63 -10.714   2.963 -11.389
  511    H    ARG  64           H        ARG  64 -12.181   1.491 -14.389
  512    HA   ARG  64           HA       ARG  64 -14.476   3.401 -14.596
  513   1HB   ARG  64          1HB       ARG  64 -14.041   0.587 -15.659
  514   2HB   ARG  64          2HB       ARG  64 -15.435   1.606 -16.022
  515   1HG   ARG  64          1HG       ARG  64 -14.153   2.178 -17.836
  516   2HG   ARG  64          2HG       ARG  64 -13.461   3.320 -16.684
  517   1HD   ARG  64          1HD       ARG  64 -11.468   2.202 -16.593
  518   2HD   ARG  64          2HD       ARG  64 -12.255   0.612 -16.629
  519    HE   ARG  64           HE       ARG  64 -11.708   2.300 -19.027
  520   1HH1  ARG  64          1HH1      ARG  64 -13.725   1.083 -20.255
  521   2HH1  ARG  64          2HH1      ARG  64 -13.306  -0.575 -20.525
  522   1HH2  ARG  64          1HH2      ARG  64 -10.737  -0.583 -18.197
  523   2HH2  ARG  64          2HH2      ARG  64 -11.614  -1.518 -19.360
  524    H    ALA  65           H        ALA  65 -16.593   2.758 -13.701
  525    HA   ALA  65           HA       ALA  65 -16.510   1.701 -11.044
  526   1HB   ALA  65          2HB       ALA  65 -18.630   2.273 -13.083
  527   2HB   ALA  65          1HB       ALA  65 -19.089   1.333 -11.662
  528   3HB   ALA  65          3HB       ALA  65 -18.418   2.953 -11.470
  529    H    THR  66           H        THR  66 -17.070   0.022 -14.163
  530    HA   THR  66           HA       THR  66 -18.093  -2.451 -13.245
  531    HB   THR  66           HB       THR  66 -16.648  -3.353 -15.240
  532    HG1  THR  66           HG1      THR  66 -15.738  -1.768 -16.473
  533   1HG2  THR  66          3HG2      THR  66 -19.119  -2.340 -15.101
  534   2HG2  THR  66          2HG2      THR  66 -18.388  -1.093 -16.111
  535   3HG2  THR  66          1HG2      THR  66 -18.380  -2.776 -16.641
  536    H    THR  67           H        THR  67 -14.694  -1.295 -13.123
  537    HA   THR  67           HA       THR  67 -13.980  -3.830 -11.682
  538    HB   THR  67           HB       THR  67 -11.644  -3.159 -12.428
  539    HG1  THR  67           HG1      THR  67 -11.453  -1.492 -13.820
  540   1HG2  THR  67          2HG2      THR  67 -13.369  -4.681 -13.683
  541   2HG2  THR  67          1HG2      THR  67 -13.448  -3.338 -14.824
  542   3HG2  THR  67          3HG2      THR  67 -11.912  -4.152 -14.525
  543    H    LYS  68           H        LYS  68 -14.154  -3.348  -9.461
  544    HA   LYS  68           HA       LYS  68 -12.859  -0.801  -8.528
  545   1HB   LYS  68          1HB       LYS  68 -15.299  -2.345  -7.620
  546   2HB   LYS  68          2HB       LYS  68 -14.538  -1.120  -6.603
  547   1HG   LYS  68          1HG       LYS  68 -14.715   0.382  -8.747
  548   2HG   LYS  68          2HG       LYS  68 -15.950  -0.780  -9.232
  549   1HD   LYS  68          1HD       LYS  68 -17.138   0.915  -8.067
  550   2HD   LYS  68          2HD       LYS  68 -16.981  -0.406  -6.907
  551   1HE   LYS  68          1HE       LYS  68 -15.496   0.759  -5.578
  552   2HE   LYS  68          2HE       LYS  68 -14.792   1.632  -6.954
  553   1HZ   LYS  68          3HZ       LYS  68 -16.962   2.783  -7.191
  554   2HZ   LYS  68          2HZ       LYS  68 -17.463   2.072  -5.731
  555   3HZ   LYS  68          1HZ       LYS  68 -16.155   3.157  -5.747
  556    H    LYS  69           H        LYS  69 -11.418  -1.012  -6.712
  557    HA   LYS  69           HA       LYS  69 -11.101  -3.753  -5.565
  558   1HB   LYS  69          1HB       LYS  69  -8.642  -3.516  -5.916
  559   2HB   LYS  69          2HB       LYS  69  -9.536  -3.522  -7.435
  560   1HG   LYS  69          1HG       LYS  69  -9.142  -0.851  -6.215
  561   2HG   LYS  69          2HG       LYS  69  -7.673  -1.640  -6.786
  562   1HD   LYS  69          1HD       LYS  69 -10.179  -1.327  -8.461
  563   2HD   LYS  69          2HD       LYS  69  -8.804  -0.225  -8.532
  564   1HE   LYS  69          1HE       LYS  69  -7.520  -1.713  -9.706
  565   2HE   LYS  69          2HE       LYS  69  -8.121  -3.103  -8.781
  566   1HZ   LYS  69          2HZ       LYS  69 -10.274  -2.824  -9.921
  567   2HZ   LYS  69          1HZ       LYS  69  -9.587  -1.611 -10.892
  568   3HZ   LYS  69          3HZ       LYS  69  -9.015  -3.204 -10.996
  569    H    ILE  70           H        ILE  70 -10.211  -3.757  -3.402
  570    HA   ILE  70           HA       ILE  70  -9.902  -2.876  -1.246
  571    HB   ILE  70           HB       ILE  70  -8.642  -0.695  -2.944
  572   1HG1  ILE  70          1HG1      ILE  70  -7.434  -3.155  -1.635
  573   2HG1  ILE  70          2HG1      ILE  70  -7.799  -3.012  -3.354
  574   1HG2  ILE  70          3HG2      ILE  70  -8.435  -1.394  -0.003
  575   2HG2  ILE  70          2HG2      ILE  70  -7.211  -0.435  -0.835
  576   3HG2  ILE  70          1HG2      ILE  70  -8.867   0.160  -0.718
  577   1HD1  ILE  70          1HD1      ILE  70  -6.100  -0.910  -2.049
  578   2HD1  ILE  70          3HD1      ILE  70  -5.376  -2.461  -2.472
  579   3HD1  ILE  70          2HD1      ILE  70  -6.106  -1.459  -3.726
  580    H    GLU  71           H        GLU  71 -12.014  -2.394  -0.475
  581    HA   GLU  71           HA       GLU  71 -13.037   0.368  -1.055
  582   1HB   GLU  71          1HB       GLU  71 -14.202  -2.265  -1.121
  583   2HB   GLU  71          2HB       GLU  71 -14.997  -1.342   0.155
  584   1HG   GLU  71          1HG       GLU  71 -14.545   0.010  -2.474
  585   2HG   GLU  71          2HG       GLU  71 -15.829  -1.195  -2.372
  586    H    ASP  72           H        ASP  72 -13.391   1.731   0.775
  587    HA   ASP  72           HA       ASP  72 -13.165   2.456   3.012
  588   1HB   ASP  72          1HB       ASP  72 -13.963  -0.437   3.527
  589   2HB   ASP  72          2HB       ASP  72 -14.146   0.903   4.656
  590    H    LEU  73           H        LEU  73 -12.145   1.114   5.324
  591    HA   LEU  73           HA       LEU  73  -9.339   0.577   4.419
  592   1HB   LEU  73          1HB       LEU  73  -9.775   2.511   5.916
  593   2HB   LEU  73          2HB       LEU  73 -10.465   1.414   7.114
  594    HG   LEU  73           HG       LEU  73  -7.716   0.841   6.069
  595   1HD1  LEU  73          3HD1      LEU  73  -7.717   3.260   6.641
  596   2HD1  LEU  73          2HD1      LEU  73  -8.336   2.863   8.244
  597   3HD1  LEU  73          1HD1      LEU  73  -6.730   2.318   7.757
  598   1HD2  LEU  73          2HD2      LEU  73  -9.377   0.292   8.500
  599   2HD2  LEU  73          1HD2      LEU  73  -8.372  -0.811   7.559
  600   3HD2  LEU  73          3HD2      LEU  73  -7.623   0.327   8.680
  601    H    THR  74           H        THR  74 -11.705  -0.554   6.921
  602    HA   THR  74           HA       THR  74 -10.102  -2.980   7.415
  603    HB   THR  74           HB       THR  74 -12.515  -3.417   8.629
  604    HG1  THR  74           HG1      THR  74 -13.432  -1.505   9.129
  605   1HG2  THR  74          3HG2      THR  74 -10.028  -1.952   9.395
  606   2HG2  THR  74          2HG2      THR  74 -11.397  -1.884  10.504
  607   3HG2  THR  74          1HG2      THR  74 -10.701  -3.441  10.057
  608    H    GLU  75           H        GLU  75 -10.178  -3.715   5.045
  609    HA   GLU  75           HA       GLU  75 -12.627  -5.374   4.617
  610   1HB   GLU  75          1HB       GLU  75 -12.561  -3.126   3.360
  611   2HB   GLU  75          2HB       GLU  75 -11.252  -3.831   2.413
  612   1HG   GLU  75          1HG       GLU  75 -12.682  -5.660   1.695
  613   2HG   GLU  75          2HG       GLU  75 -13.981  -5.104   2.751
  614    H    LEU  76           H        LEU  76  -9.388  -4.713   3.081
  615    HA   LEU  76           HA       LEU  76  -8.748  -7.603   3.401
  616   1HB   LEU  76          1HB       LEU  76  -8.269  -7.788   0.975
  617   2HB   LEU  76          2HB       LEU  76  -9.955  -7.364   1.254
  618    HG   LEU  76           HG       LEU  76  -7.929  -5.174   0.827
  619   1HD1  LEU  76          3HD1      LEU  76  -7.802  -6.983  -1.017
  620   2HD1  LEU  76          2HD1      LEU  76  -9.420  -6.447  -1.462
  621   3HD1  LEU  76          1HD1      LEU  76  -8.069  -5.315  -1.525
  622   1HD2  LEU  76          3HD2      LEU  76 -10.810  -5.434   1.044
  623   2HD2  LEU  76          2HD2      LEU  76  -9.814  -3.980   1.048
  624   3HD2  LEU  76          1HD2      LEU  76 -10.364  -4.664  -0.479
  625    H    GLU  77           H        GLU  77  -7.375  -5.868   4.926
  626    HA   GLU  77           HA       GLU  77  -4.742  -5.769   3.562
  627   1HB   GLU  77          1HB       GLU  77  -4.427  -3.435   4.215
  628   2HB   GLU  77          2HB       GLU  77  -5.856  -3.598   3.207
  629   1HG   GLU  77          1HG       GLU  77  -7.189  -3.762   5.391
  630   2HG   GLU  77          2HG       GLU  77  -5.722  -3.212   6.201
  631    H    GLY  78           H        GLY  78  -3.007  -6.198   5.005
  632   1HA   GLY  78          2HA       GLY  78  -2.079  -7.096   6.979
  633   2HA   GLY  78          1HA       GLY  78  -3.712  -7.218   7.637
  634    H    TRP  79           H        TRP  79  -4.705  -4.957   8.212
  635    HA   TRP  79           HA       TRP  79  -2.673  -2.939   8.982
  636   1HB   TRP  79          1HB       TRP  79  -4.597  -1.497   9.376
  637   2HB   TRP  79          2HB       TRP  79  -4.812  -2.316   7.836
  638    HD1  TRP  79           HD1      TRP  79  -6.777  -4.067   7.625
  639    HE1  TRP  79           HE1      TRP  79  -8.820  -4.585   9.107
  640    HE3  TRP  79           HE3      TRP  79  -5.425  -1.606  11.895
  641    HZ2  TRP  79           HZ2      TRP  79  -9.761  -4.028  11.744
  642    HZ3  TRP  79           HZ3      TRP  79  -6.918  -1.614  13.873
  643    HH2  TRP  79           HH2      TRP  79  -9.084  -2.820  13.801
  644    H    GLU  80           H        GLU  80  -5.021  -5.142  10.555
  645    HA   GLU  80           HA       GLU  80  -4.793  -4.247  13.237
  646   1HB   GLU  80          1HB       GLU  80  -6.205  -6.150  12.139
  647   2HB   GLU  80          2HB       GLU  80  -4.825  -7.178  12.523
  648   1HG   GLU  80          1HG       GLU  80  -5.056  -6.830  14.846
  649   2HG   GLU  80          2HG       GLU  80  -6.063  -5.399  14.619
  650    H    GLU  81           H        GLU  81  -2.398  -6.086  11.330
  651    HA   GLU  81           HA       GLU  81  -0.784  -6.643  13.762
  652   1HB   GLU  81          1HB       GLU  81  -0.573  -7.315  10.821
  653   2HB   GLU  81          2HB       GLU  81   0.738  -7.671  11.945
  654   1HG   GLU  81          1HG       GLU  81  -0.788  -9.008  13.332
  655   2HG   GLU  81          2HG       GLU  81  -2.125  -8.629  12.244
  656    H    LEU  82           H        LEU  82  -0.634  -4.530  10.858
  657    HA   LEU  82           HA       LEU  82   2.054  -3.562  11.388
  658   1HB   LEU  82          1HB       LEU  82  -0.272  -2.342   9.851
  659   2HB   LEU  82          2HB       LEU  82   1.391  -1.765   9.769
  660    HG   LEU  82           HG       LEU  82   0.466  -4.556   9.015
  661   1HD1  LEU  82          3HD1      LEU  82   0.881  -2.028   7.502
  662   2HD1  LEU  82          2HD1      LEU  82   1.476  -3.509   6.751
  663   3HD1  LEU  82          1HD1      LEU  82  -0.228  -3.362   7.183
  664   1HD2  LEU  82          3HD2      LEU  82   3.122  -3.282   9.397
  665   2HD2  LEU  82          2HD2      LEU  82   2.663  -4.980   9.513
  666   3HD2  LEU  82          1HD2      LEU  82   2.941  -4.249   7.933
  667    H    GLU  83           H        GLU  83   2.074  -0.854  11.598
  668    HA   GLU  83           HA       GLU  83   1.336  -0.380  14.371
  669   1HB   GLU  83          1HB       GLU  83   2.492   1.227  12.109
  670   2HB   GLU  83          2HB       GLU  83   1.959   2.065  13.566
  671   1HG   GLU  83          1HG       GLU  83   3.729  -0.359  13.776
  672   2HG   GLU  83          2HG       GLU  83   4.428   1.226  13.440
  673    H    ASP  84           H        ASP  84  -0.139   1.407  15.114
  674    HA   ASP  84           HA       ASP  84  -2.720   1.283  13.716
  675   1HB   ASP  84          1HB       ASP  84  -2.473   1.319  16.200
  676   2HB   ASP  84          2HB       ASP  84  -1.827   2.956  16.089
  677    H    ASN  85           H        ASN  85  -0.162   3.754  14.138
  678    HA   ASN  85           HA       ASN  85  -1.493   6.039  13.118
  679   1HB   ASN  85          1HB       ASN  85   0.940   5.697  13.998
  680   2HB   ASN  85          2HB       ASN  85   1.333   5.329  12.319
  681   1HD2  ASN  85          2HD2      ASN  85   1.261   7.902  14.483
  682   2HD2  ASN  85          1HD2      ASN  85   1.062   9.169  13.371
  683    H    GLU  86           H        GLU  86  -0.057   3.307  11.300
  684    HA   GLU  86           HA       GLU  86  -0.320   4.382   8.658
  685   1HB   GLU  86          1HB       GLU  86   0.864   2.270   9.233
  686   2HB   GLU  86          2HB       GLU  86  -0.683   1.517   9.618
  687   1HG   GLU  86          1HG       GLU  86  -0.586   2.787   6.951
  688   2HG   GLU  86          2HG       GLU  86   0.515   1.424   7.145
  689    H    LYS  87           H        LYS  87  -2.691   2.666  10.723
  690    HA   LYS  87           HA       LYS  87  -4.831   2.405   8.870
  691   1HB   LYS  87          1HB       LYS  87  -4.629   1.598  11.312
  692   2HB   LYS  87          2HB       LYS  87  -5.168   3.213  11.770
  693   1HG   LYS  87          1HG       LYS  87  -6.773   1.820   9.690
  694   2HG   LYS  87          2HG       LYS  87  -6.891   1.189  11.332
  695   1HD   LYS  87          1HD       LYS  87  -7.040   4.143  11.054
  696   2HD   LYS  87          2HD       LYS  87  -8.418   3.233  10.434
  697   1HE   LYS  87          1HE       LYS  87  -9.122   3.333  12.621
  698   2HE   LYS  87          2HE       LYS  87  -8.001   1.974  12.835
  699   1HZ   LYS  87          1HZ       LYS  87  -7.154   4.812  12.984
  700   2HZ   LYS  87          3HZ       LYS  87  -7.606   3.916  14.351
  701   3HZ   LYS  87          2HZ       LYS  87  -6.260   3.438  13.430
  702    H    GLU  88           H        GLU  88  -3.830   5.258  10.781
  703    HA   GLU  88           HA       GLU  88  -6.098   6.915  10.010
  704   1HB   GLU  88          1HB       GLU  88  -4.055   7.116  11.829
  705   2HB   GLU  88          2HB       GLU  88  -3.481   8.215  10.574
  706   1HG   GLU  88          1HG       GLU  88  -4.791   9.627  11.907
  707   2HG   GLU  88          2HG       GLU  88  -5.920   9.158  10.634
  708    H    GLN  89           H        GLN  89  -2.788   6.470   8.678
  709    HA   GLN  89           HA       GLN  89  -3.024   8.483   6.616
  710   1HB   GLN  89          1HB       GLN  89  -1.319   6.042   7.074
  711   2HB   GLN  89          2HB       GLN  89  -1.217   6.896   5.535
  712   1HG   GLN  89          1HG       GLN  89  -1.088   8.504   8.055
  713   2HG   GLN  89          2HG       GLN  89   0.339   7.582   7.578
  714   1HE2  GLN  89          1HE2      GLN  89   0.839   7.891   5.022
  715   2HE2  GLN  89          2HE2      GLN  89   0.736   9.498   4.484
  716    H    ILE  90           H        ILE  90  -3.925   5.020   6.708
  717    HA   ILE  90           HA       ILE  90  -4.518   4.751   3.894
  718    HB   ILE  90           HB       ILE  90  -5.651   3.343   6.345
  719   1HG1  ILE  90          1HG1      ILE  90  -3.213   3.093   6.084
  720   2HG1  ILE  90          2HG1      ILE  90  -4.026   1.571   5.742
  721   1HG2  ILE  90          1HG2      ILE  90  -7.130   3.060   4.385
  722   2HG2  ILE  90          3HG2      ILE  90  -5.754   2.512   3.427
  723   3HG2  ILE  90          2HG2      ILE  90  -6.318   1.548   4.791
  724   1HD1  ILE  90          1HD1      ILE  90  -3.956   2.200   3.287
  725   2HD1  ILE  90          3HD1      ILE  90  -2.916   3.550   3.738
  726   3HD1  ILE  90          2HD1      ILE  90  -2.380   1.893   4.016
  727    H    THR  91           H        THR  91  -6.557   5.772   6.685
  728    HA   THR  91           HA       THR  91  -9.034   5.962   5.247
  729    HB   THR  91           HB       THR  91  -9.667   7.549   7.071
  730    HG1  THR  91           HG1      THR  91  -8.139   8.279   8.447
  731   1HG2  THR  91          1HG2      THR  91  -8.371   4.923   7.520
  732   2HG2  THR  91          3HG2      THR  91  -8.626   5.908   8.960
  733   3HG2  THR  91          2HG2      THR  91  -9.995   5.464   7.940
  734    H    GLN  92           H        GLN  92  -6.370   8.326   5.599
  735    HA   GLN  92           HA       GLN  92  -7.656  10.567   4.364
  736   1HB   GLN  92          1HB       GLN  92  -4.790   9.618   4.558
  737   2HB   GLN  92          2HB       GLN  92  -5.191  11.100   3.690
  738   1HG   GLN  92          1HG       GLN  92  -6.588  11.555   5.938
  739   2HG   GLN  92          2HG       GLN  92  -5.332  10.514   6.608
  740   1HE2  GLN  92          1HE2      GLN  92  -3.311  11.514   7.053
  741   2HE2  GLN  92          2HE2      GLN  92  -2.876  13.053   6.487
  742    H    HIS  93           H        HIS  93  -5.942   7.776   2.884
  743    HA   HIS  93           HA       HIS  93  -6.031   8.784   0.173
  744   1HB   HIS  93          1HB       HIS  93  -5.577   6.163   1.529
  745   2HB   HIS  93          2HB       HIS  93  -6.057   6.090  -0.165
  746    HD1  HIS  93           HD1      HIS  93  -4.466   7.218  -1.917
  747    HD2  HIS  93           HD2      HIS  93  -2.976   7.182   1.976
  748    HE1  HIS  93           HE1      HIS  93  -2.005   7.795  -2.086
  749    H    ILE  94           H        ILE  94  -8.203   6.408   1.839
  750    HA   ILE  94           HA       ILE  94 -10.108   6.365  -0.352
  751    HB   ILE  94           HB       ILE  94 -10.290   5.619   2.589
  752   1HG1  ILE  94          1HG1      ILE  94 -10.584   3.400   0.818
  753   2HG1  ILE  94          2HG1      ILE  94  -9.233   4.352   0.212
  754   1HG2  ILE  94          3HG2      ILE  94 -12.350   5.461   0.395
  755   2HG2  ILE  94          2HG2      ILE  94 -12.335   4.257   1.684
  756   3HG2  ILE  94          1HG2      ILE  94 -12.557   5.963   2.073
  757   1HD1  ILE  94          2HD1      ILE  94  -8.540   4.400   2.769
  758   2HD1  ILE  94          1HD1      ILE  94  -9.536   2.946   2.838
  759   3HD1  ILE  94          3HD1      ILE  94  -8.143   3.009   1.755
  760    H    ALA  95           H        ALA  95  -9.787   8.403   2.569
  761    HA   ALA  95           HA       ALA  95 -12.371   9.712   2.241
  762   1HB   ALA  95          2HB       ALA  95  -9.870  10.756   3.614
  763   2HB   ALA  95          1HB       ALA  95 -11.533  11.237   3.943
  764   3HB   ALA  95          3HB       ALA  95 -10.986   9.614   4.361
  765    H    ASP  96           H        ASP  96  -9.033  10.463   1.158
  766    HA   ASP  96           HA       ASP  96  -9.682  13.053   0.015
  767   1HB   ASP  96          1HB       ASP  96  -7.474  11.031  -0.253
  768   2HB   ASP  96          2HB       ASP  96  -7.557  12.347  -1.424
  769    H    LEU  97           H        LEU  97  -9.729   9.717  -1.306
  770    HA   LEU  97           HA       LEU  97 -10.440  10.620  -4.014
  771   1HB   LEU  97          1HB       LEU  97  -9.178   8.529  -3.522
  772   2HB   LEU  97          2HB       LEU  97 -10.600   7.881  -2.704
  773    HG   LEU  97           HG       LEU  97 -11.851   8.338  -4.914
  774   1HD1  LEU  97          2HD1      LEU  97  -8.973   8.745  -5.697
  775   2HD1  LEU  97          1HD1      LEU  97 -10.121   8.090  -6.863
  776   3HD1  LEU  97          3HD1      LEU  97 -10.390   9.684  -6.162
  777   1HD2  LEU  97          3HD2      LEU  97  -9.905   6.192  -4.247
  778   2HD2  LEU  97          2HD2      LEU  97 -11.626   6.076  -4.616
  779   3HD2  LEU  97          1HD2      LEU  97 -10.454   6.237  -5.923
  780    H    SER  98           H        SER  98 -12.255   9.583  -1.109
  781    HA   SER  98           HA       SER  98 -14.792   9.656  -2.697
  782   1HB   SER  98          1HB       SER  98 -14.092   8.642   0.077
  783   2HB   SER  98          2HB       SER  98 -15.708   8.573  -0.622
  784    HG   SER  98           HG       SER  98 -14.543   6.633  -0.960
  785    H    SER  99           H        SER  99 -13.460  12.197  -2.083
  786    HA   SER  99           HA       SER  99 -15.664  13.479  -0.574
  787   1HB   SER  99          1HB       SER  99 -12.762  13.671   0.289
  788   2HB   SER  99          2HB       SER  99 -14.129  14.465   1.063
  789    HG   SER  99           HG       SER  99 -14.880  12.522   1.739
  790    H    LYS 100           H        LYS 100 -15.293  13.908  -3.258
  791    HA   LYS 100           HA       LYS 100 -13.963  16.597  -3.354
  792   1HB   LYS 100          1HB       LYS 100 -12.752  14.590  -4.426
  793   2HB   LYS 100          2HB       LYS 100 -14.053  14.593  -5.618
  794   1HG   LYS 100          1HG       LYS 100 -12.342  15.939  -6.574
  795   2HG   LYS 100          2HG       LYS 100 -13.527  17.085  -5.947
  796   1HD   LYS 100          1HD       LYS 100 -11.612  18.005  -5.044
  797   2HD   LYS 100          2HD       LYS 100 -12.021  16.874  -3.753
  798   1HE   LYS 100          1HE       LYS 100 -10.568  15.177  -5.156
  799   2HE   LYS 100          2HE       LYS 100  -9.866  16.658  -5.837
  800   1HZ   LYS 100          3HZ       LYS 100 -10.164  16.071  -2.938
  801   2HZ   LYS 100          2HZ       LYS 100  -8.708  15.983  -3.809
  802   3HZ   LYS 100          1HZ       LYS 100  -9.489  17.478  -3.601
  803    H    ALA 101           H        ALA 101 -15.353  18.203  -4.131
  804    HA   ALA 101           HA       ALA 101 -17.707  17.333  -5.772
  805   1HB   ALA 101          1HB       ALA 101 -19.038  18.950  -4.410
  806   2HB   ALA 101          2HB       ALA 101 -17.613  19.245  -3.414
  807   3HB   ALA 101          3HB       ALA 101 -18.364  17.649  -3.428
  808    H    ALA 102           H        ALA 102 -15.212  18.488  -6.773
  809    HA   ALA 102           HA       ALA 102 -16.289  21.069  -7.832
  810   1HB   ALA 102          3HB       ALA 102 -14.743  21.480  -5.931
  811   2HB   ALA 102          1HB       ALA 102 -14.067  22.073  -7.449
  812   3HB   ALA 102          2HB       ALA 102 -13.494  20.553  -6.762
  813    H    GLY 103           H        GLY 103 -16.218  20.972 -10.082
  814   1HA   GLY 103          2HA       GLY 103 -13.945  19.525 -11.346
  815   2HA   GLY 103          1HA       GLY 103 -14.967  20.719 -12.146
  816    H    THR 104           H        THR 104 -15.638  17.669 -10.309
  817    HA   THR 104           HA       THR 104 -17.310  16.803 -12.648
  818    HB   THR 104           HB       THR 104 -15.865  14.983 -10.716
  819    HG1  THR 104           HG1      THR 104 -14.185  16.059 -11.530
  820   1HG2  THR 104          3HG2      THR 104 -17.632  14.088 -12.252
  821   2HG2  THR 104          2HG2      THR 104 -16.663  14.639 -13.618
  822   3HG2  THR 104          1HG2      THR 104 -16.036  13.393 -12.539
  823    HA   PRO 105           HA       PRO 105 -20.080  16.996  -8.995
  824   1HB   PRO 105          1HB       PRO 105 -22.356  17.557 -10.406
  825   2HB   PRO 105          2HB       PRO 105 -21.204  18.806  -9.896
  826   1HG   PRO 105          1HG       PRO 105 -21.549  17.522 -12.557
  827   2HG   PRO 105          2HG       PRO 105 -21.170  19.204 -12.155
  828   1HD   PRO 105          1HD       PRO 105 -19.310  17.390 -12.997
  829   2HD   PRO 105          2HD       PRO 105 -18.930  18.792 -11.973
  830    H    LYS 106           H        LYS 106 -21.418  15.266  -8.237
  831    HA   LYS 106           HA       LYS 106 -22.382  13.277 -10.246
  832   1HB   LYS 106          1HB       LYS 106 -20.376  12.942  -8.033
  833   2HB   LYS 106          2HB       LYS 106 -21.409  11.578  -8.469
  834   1HG   LYS 106          1HG       LYS 106 -20.690  11.876 -10.856
  835   2HG   LYS 106          2HG       LYS 106 -19.544  13.100 -10.310
  836   1HD   LYS 106          1HD       LYS 106 -18.295  11.523  -9.045
  837   2HD   LYS 106          2HD       LYS 106 -19.580  10.319  -9.133
  838   1HE   LYS 106          1HE       LYS 106 -19.180   9.932 -11.475
  839   2HE   LYS 106          2HE       LYS 106 -18.098  11.336 -11.579
  840   1HZ   LYS 106          2HZ       LYS 106 -17.651   9.016  -9.779
  841   2HZ   LYS 106          1HZ       LYS 106 -16.902   9.198 -11.292
  842   3HZ   LYS 106          3HZ       LYS 106 -16.590  10.314 -10.053
  843    H    LYS 107           H        LYS 107 -24.581  13.994  -9.656
  844    HA   LYS 107           HA       LYS 107 -25.382  13.186  -6.875
  845   1HB   LYS 107          1HB       LYS 107 -25.406  15.703  -8.011
  846   2HB   LYS 107          2HB       LYS 107 -27.053  15.149  -8.312
  847   1HG   LYS 107          1HG       LYS 107 -27.357  15.991  -6.191
  848   2HG   LYS 107          2HG       LYS 107 -26.830  14.366  -5.755
  849   1HD   LYS 107          1HD       LYS 107 -24.499  15.178  -5.569
  850   2HD   LYS 107          2HD       LYS 107 -25.043  16.806  -5.972
  851   1HE   LYS 107          1HE       LYS 107 -26.723  16.375  -3.943
  852   2HE   LYS 107          2HE       LYS 107 -25.442  15.252  -3.444
  853   1HZ   LYS 107          3HZ       LYS 107 -23.836  17.086  -3.909
  854   2HZ   LYS 107          2HZ       LYS 107 -25.159  18.136  -4.090
  855   3HZ   LYS 107          1HZ       LYS 107 -24.867  17.384  -2.596
  856    H    LYS 108           H        LYS 108 -26.941  13.889 -10.076
  857    HA   LYS 108           HA       LYS 108 -28.181  11.185 -10.017
  858   1HB   LYS 108          1HB       LYS 108 -29.623  12.758  -8.716
  859   2HB   LYS 108          2HB       LYS 108 -29.754  13.778 -10.149
  860   1HG   LYS 108          1HG       LYS 108 -30.483  11.456 -11.262
  861   2HG   LYS 108          2HG       LYS 108 -30.973  11.109  -9.604
  862   1HD   LYS 108          1HD       LYS 108 -32.396  13.053  -9.537
  863   2HD   LYS 108          2HD       LYS 108 -31.770  13.629 -11.083
  864   1HE   LYS 108          1HE       LYS 108 -33.105  12.213 -12.289
  865   2HE   LYS 108          2HE       LYS 108 -32.904  10.886 -11.128
  866   1HZ   LYS 108          2HZ       LYS 108 -34.291  12.160  -9.558
  867   2HZ   LYS 108          1HZ       LYS 108 -34.581  13.313 -10.772
  868   3HZ   LYS 108          3HZ       LYS 108 -35.138  11.723 -10.965
  869    H    ALA 109           H        ALA 109 -27.239  10.611 -12.050
  870    HA   ALA 109           HA       ALA 109 -28.136  12.269 -14.382
  871   1HB   ALA 109          3HB       ALA 109 -25.728  12.625 -13.657
  872   2HB   ALA 109          1HB       ALA 109 -25.917  12.067 -15.319
  873   3HB   ALA 109          2HB       ALA 109 -25.433  10.934 -14.057
  874    H    VAL 110           H        VAL 110 -28.450  10.981 -16.369
  875    HA   VAL 110           HA       VAL 110 -28.441   8.017 -15.918
  876    HB   VAL 110           HB       VAL 110 -30.692   8.968 -15.638
  877   1HG1  VAL 110          3HG1      VAL 110 -29.870  10.551 -17.947
  878   2HG1  VAL 110          2HG1      VAL 110 -31.443   9.797 -18.203
  879   3HG1  VAL 110          1HG1      VAL 110 -31.179  10.836 -16.804
  880   1HG2  VAL 110          2HG2      VAL 110 -30.453   6.751 -16.714
  881   2HG2  VAL 110          1HG2      VAL 110 -31.855   7.619 -17.340
  882   3HG2  VAL 110          3HG2      VAL 110 -30.374   7.532 -18.293
  883    H    VAL 111           H        VAL 111 -27.866   6.760 -17.782
  884    HA   VAL 111           HA       VAL 111 -27.292   8.260 -20.303
  885    HB   VAL 111           HB       VAL 111 -25.395   6.435 -18.782
  886   1HG1  VAL 111          3HG1      VAL 111 -25.030   7.980 -21.369
  887   2HG1  VAL 111          2HG1      VAL 111 -23.766   7.079 -20.533
  888   3HG1  VAL 111          1HG1      VAL 111 -25.146   6.225 -21.224
  889   1HG2  VAL 111          2HG2      VAL 111 -25.606   9.421 -19.129
  890   2HG2  VAL 111          1HG2      VAL 111 -25.333   8.498 -17.652
  891   3HG2  VAL 111          3HG2      VAL 111 -24.039   8.668 -18.839
  892    H    GLN 112           H        GLN 112 -27.582   6.955 -22.195
  893    HA   GLN 112           HA       GLN 112 -28.656   4.200 -21.679
  894   1HB   GLN 112          1HB       GLN 112 -29.161   6.384 -23.682
  895   2HB   GLN 112          2HB       GLN 112 -29.506   4.715 -24.137
  896   1HG   GLN 112          1HG       GLN 112 -30.506   5.721 -21.496
  897   2HG   GLN 112          2HG       GLN 112 -31.365   6.192 -22.965
  898   1HE2  GLN 112          1HE2      GLN 112 -33.248   4.816 -22.660
  899   2HE2  GLN 112          2HE2      GLN 112 -33.133   3.122 -22.665
  900    H    ALA 113           H        ALA 113 -26.835   2.820 -21.887
  901    HA   ALA 113           HA       ALA 113 -25.149   3.195 -24.343
  902   1HB   ALA 113          3HB       ALA 113 -24.587   2.026 -21.602
  903   2HB   ALA 113          2HB       ALA 113 -23.445   1.961 -22.944
  904   3HB   ALA 113          1HB       ALA 113 -23.929   3.518 -22.272
  905    H    LYS 114           H        LYS 114 -24.851   1.370 -25.709
  906    HA   LYS 114           HA       LYS 114 -26.497  -1.042 -25.017
  907   1HB   LYS 114          1HB       LYS 114 -25.600   0.208 -27.634
  908   2HB   LYS 114          2HB       LYS 114 -26.434  -1.343 -27.537
  909   1HG   LYS 114          1HG       LYS 114 -28.440  -0.386 -26.957
  910   2HG   LYS 114          2HG       LYS 114 -27.674   0.941 -26.083
  911   1HD   LYS 114          1HD       LYS 114 -28.432   2.087 -27.945
  912   2HD   LYS 114          2HD       LYS 114 -26.839   1.599 -28.522
  913   1HE   LYS 114          1HE       LYS 114 -27.916  -0.465 -29.515
  914   2HE   LYS 114          2HE       LYS 114 -29.491   0.243 -29.109
  915   1HZ   LYS 114          3HZ       LYS 114 -27.396   1.689 -30.635
  916   2HZ   LYS 114          2HZ       LYS 114 -28.650   0.817 -31.380
  917   3HZ   LYS 114          1HZ       LYS 114 -29.010   2.158 -30.399
  918    H    LEU 115           H        LEU 115 -25.523  -3.166 -25.411
  919    HA   LEU 115           HA       LEU 115 -22.525  -3.083 -25.420
  920   1HB   LEU 115          1HB       LEU 115 -24.253  -4.201 -23.657
  921   2HB   LEU 115          2HB       LEU 115 -24.038  -5.560 -24.760
  922    HG   LEU 115           HG       LEU 115 -21.504  -5.069 -24.548
  923   1HD1  LEU 115          2HD1      LEU 115 -22.708  -3.344 -22.413
  924   2HD1  LEU 115          1HD1      LEU 115 -21.169  -4.142 -22.089
  925   3HD1  LEU 115          3HD1      LEU 115 -21.317  -3.030 -23.450
  926   1HD2  LEU 115          2HD2      LEU 115 -23.234  -6.198 -22.339
  927   2HD2  LEU 115          1HD2      LEU 115 -22.365  -7.078 -23.596
  928   3HD2  LEU 115          3HD2      LEU 115 -21.475  -6.297 -22.290
  929    H    THR 116           H        THR 116 -21.755  -3.390 -27.527
  930    HA   THR 116           HA       THR 116 -22.816  -5.750 -29.020
  931    HB   THR 116           HB       THR 116 -23.980  -3.743 -29.831
  932    HG1  THR 116           HG1      THR 116 -23.507  -5.151 -31.441
  933   1HG2  THR 116          2HG2      THR 116 -21.282  -2.598 -29.593
  934   2HG2  THR 116          1HG2      THR 116 -22.092  -2.189 -31.104
  935   3HG2  THR 116          3HG2      THR 116 -22.852  -1.796 -29.563
  936    H    THR 117           H        THR 117 -21.205  -6.714 -30.449
  937    HA   THR 117           HA       THR 117 -18.421  -5.683 -29.995
  938    HB   THR 117           HB       THR 117 -17.969  -8.216 -30.536
  939    HG1  THR 117           HG1      THR 117 -19.682  -9.521 -30.230
  940   1HG2  THR 117          2HG2      THR 117 -19.081  -7.009 -28.023
  941   2HG2  THR 117          1HG2      THR 117 -18.705  -8.731 -28.068
  942   3HG2  THR 117          3HG2      THR 117 -17.436  -7.543 -28.368

  No H/Q in entry =         942