*HEADER    TOXIN                                   08-JUN-01   1JC6              
*TITLE     SOLUTION STRUCTURE OF BUNGARUS FACIATUS IX, A KUNITZ-TYPE             
*TITLE    2 CHYMOTRYPSIN INHIBITOR                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VENOM BASIC PROTEASE INHIBITORS IX AND VIIIB;              
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BUNGARUS FASCIATUS;                             
*SOURCE   3 ORGANISM_COMMON: BANDED KRAIT;                                       
*SOURCE   4 TISSUE: VENOM                                                        
*KEYWDS    SNAKE VENOM, KUNITZ INHIBITOR, PROTEASE INHIBITOR,                    
*KEYWDS   2 NEUROTOXIN, NMR, SOLUTION STRUCTURE, BF IX, CHYMOTRYPSIN             
*KEYWDS   3 INHIBITOR                                                            
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    C.CHEN, C.H.HSU, N.Y.SU, S.H.CHIOU, S.H.WU                            
*REVDAT   1   17-JUN-03 1JC6    0                                                

remarks NOE restraints (generated by C.H Hsu; modified on 
remarks 10/01/99 by chinpan)
remarks modified from bf9.tbl
remarks L 2.00 0.20 1.00; M 2.00 0.20 1.50; S 2.00 0.20 2.50 ; 
remarks VS 2.00 0.20 3.00
remarks Original input reference distance: 1.79
remarks Current  input reference distance: 1.79
remarks Distance cut-off                 : 5.00
set wrnlev=0 end

remarks disufide bonds

assign (resid  7 and name SG  )(resid 57 and name SG  ) 2.00 0.20 0.30
assign (resid 16 and name SG  )(resid 40 and name SG  ) 2.00 0.20 0.30
assign (resid 32 and name SG  )(resid 53 and name SG  ) 2.00 0.20 0.30

remarks Asn 2

assign (resid  2 and name HN  )(resid  2 and name HB* ) 2.00 0.20 3.00

remarks Arg 3

assign (resid  3 and name HN  )(resid  2 and name HA  ) 2.00 0.20 1.00
assign (resid  3 and name HN  )(resid  2 and name HB* ) 2.00 0.20 3.00
assign (resid  3 and name HN  )(resid  3 and name HA  ) 2.00 0.20 2.50
assign (resid  3 and name HA  )(resid  4 and name HD* ) 2.00 0.20 1.50

remarks Pro 4

assign (resid  4 and name HA  )(resid  4 and name HB* ) 2.00 0.20 3.00
assign (resid  4 and name HA  )(resid  4 and name HD* ) 2.00 0.20 3.00

remarks Thr 5

assign (resid  5 and name HN  )(resid  6 and name HN  ) 2.00 0.20 1.50
assign (resid  5 and name HN  )(resid  4 and name HA  ) 2.00 0.20 1.50
assign (resid  5 and name HN  )(resid  5 and name HG2*) 2.00 0.20 2.50
assign (resid  5 and name HA  )(resid  5 and name HG2*) 2.00 0.20 3.00
assign (resid  5 and name HN  )(resid  4 and name HB* ) 2.00 0.20 4.00

remarks Phe 6 

assign (resid  6 and name HN  )(resid  7 and name HN  ) 2.00 0.20 2.00
assign (resid  6 and name HN  )(resid  5 and name HA  ) 2.00 0.20 2.50
assign (resid  6 and name HN  )(resid  5 and name HG2*) 2.00 0.20 4.00
assign (resid  6 and name HN  )(resid  6 and name HA  ) 2.00 0.20 2.00
assign (resid  6 and name HA  )(resid  9 and name HD* ) 2.00 0.20 4.00
assign (resid  6 and name HB* )(resid 44 and name HB* ) 2.00 0.20 3.00
assign (resid  6 and name HD* )(resid  6 and name HA  ) 2.00 0.20 4.00
assign (resid  6 and name HD* )(resid  6 and name HB* ) 2.00 0.20 3.00
assign (resid  6 and name HD* )(resid  7 and name HA  ) 2.00 0.20 4.00
assign (resid  6 and name HD* )(resid  9 and name HD* ) 2.00 0.20 4.00
assign (resid  6 and name HD* )(resid 44 and name HB* ) 2.00 0.20 4.00
assign (resid  6 and name HD* )(resid 46 and name HN  ) 2.00 0.20 3.50
assign (resid  6 and name HD* )(resid 45 and name HA  ) 2.00 0.20 2.00
assign (resid  6 and name HD* )(resid  4 and name HB* ) 2.00 0.20 3.50
assign (resid  6 and name HD* )(resid  4 and name HG* ) 2.00 0.20 3.50
assign (resid  6 and name HE* )(resid 45 and name HA  ) 2.00 0.20 2.00
assign (resid  6 and name HE* )(resid  4 and name HB* ) 2.00 0.20 3.50
assign (resid  6 and name HE* )(resid  4 and name HG* ) 2.00 0.20 3.50
assign (resid  6 and name HE* )(resid  6 and name HB* ) 2.00 0.20 4.00
assign (resid  6 and name HE* )(resid  5 and name HA  ) 2.00 0.20 3.00
assign (resid  6 and name HE* )(resid 44 and name HB* ) 2.00 0.20 4.00
assign (resid  6 and name HE* )(resid 56 and name HG2*) 2.00 0.20 3.00
assign (resid  6 and name HB* )(resid  9 and name HD* ) 2.00 0.20 3.00
assign (resid  6 and name HN  )(resid  9 and name HD* ) 2.00 0.20 4.00
assign (resid  6 and name HE* )(resid  4 and name HG* ) 2.00 0.20 3.00

remarks Cys 7 

assign (resid  7 and name HN  )(resid  6 and name HN  ) 2.00 0.20 2.00
assign (resid  7 and name HN  )(resid  8 and name HN  ) 2.00 0.20 2.00
assign (resid  7 and name HN  )(resid  5 and name HA  ) 2.00 0.20 3.00
assign (resid  7 and name HN  )(resid  6 and name HA  ) 2.00 0.20 2.50
assign (resid  7 and name HN  )(resid  7 and name HA  ) 2.00 0.20 2.00
assign (resid  7 and name HN  )(resid  7 and name HB* ) 2.00 0.20 2.50
assign (resid  7 and name HN  )(resid  4 and name HB* ) 2.00 0.20 3.50
assign (resid  7 and name HN  )(resid  4 and name HG* ) 2.00 0.20 3.50
assign (resid  7 and name HN  )(resid 25 and name HB* ) 2.00 0.20 4.00

remarks Asn 8

assign (resid  8 and name HN  )(resid  7 and name HN  ) 2.00 0.20 1.50
assign (resid  8 and name HN  )(resid  7 and name HA  ) 2.00 0.20 3.00
assign (resid  8 and name HN  )(resid  8 and name HA  ) 2.00 0.20 1.50
assign (resid  8 and name HN  )(resid  8 and name HB1 ) 2.00 0.20 2.00
assign (resid  8 and name HN  )(resid  8 and name HB2 ) 2.00 0.20 1.50
assign (resid  8 and name HA  )(resid 27 and name HB* ) 2.00 0.20 2.00
assign (resid  8 and name HN  )(resid  7 and name HB* ) 2.00 0.20 3.50
assign (resid  8 and name HN  )(resid  6 and name HB* ) 2.00 0.20 3.50

remarks Leu 9

assign (resid  9 and name HN  )(resid 10 and name HN  ) 2.00 0.20 3.00
assign (resid  9 and name HN  )(resid  6 and name HA  ) 2.00 0.20 2.00
assign (resid  9 and name HN  )(resid  9 and name HB* ) 2.00 0.20 2.00
assign (resid  9 and name HN  )(resid  9 and name HD* ) 2.00 0.20 4.00

remarks Leu 10

assign (resid 10 and name HN  )(resid  9 and name HN  ) 2.00 0.20 3.00
assign (resid 10 and name HN  )(resid  9 and name HA  ) 2.00 0.20 1.50
assign (resid 10 and name HN  )(resid  9 and name HB* ) 2.00 0.20 3.00
assign (resid 10 and name HA  )(resid 11 and name HD* ) 2.00 0.20 1.50
assign (resid 10 and name HN  )(resid 10 and name HA  ) 2.00 0.20 1.50

remarks Pro 11

assign (resid 11 and name HD* )(resid  9 and name HD* ) 2.00 0.20 5.00 
assign (resid 11 and name HD* )(resid 24 and name HE* ) 2.00 0.20 4.00 

remarks Glu 12

assign (resid 12 and name HN  )(resid 11 and name HA  ) 2.00 0.20 1.50
assign (resid 12 and name HN  )(resid 11 and name HB* ) 2.00 0.20 3.00
assign (resid 12 and name HN  )(resid 12 and name HA  ) 2.00 0.20 2.50
assign (resid 12 and name HN  )(resid 12 and name HB* ) 2.00 0.20 3.00
assign (resid 12 and name HN  )(resid 12 and name HG* ) 2.00 0.20 3.50
assign (resid 12 and name HN  )(resid 35 and name HE* ) 2.00 0.20 4.00

remarks Thr 13

assign (resid 13 and name HN  )(resid 12 and name HA  ) 2.00 0.20 1.00
assign (resid 13 and name HN  )(resid 12 and name HB* ) 2.00 0.20 3.00 
assign (resid 13 and name HN  )(resid 12 and name HN  ) 2.00 0.20 3.00 
assign (resid 13 and name HN  )(resid 12 and name HG* ) 2.00 0.20 4.00 
assign (resid 13 and name HN  )(resid 13 and name HA  ) 2.00 0.20 2.50
assign (resid 13 and name HN  )(resid 13 and name HB  ) 2.00 0.20 1.50
assign (resid 13 and name HN  )(resid 13 and name HG2*) 2.00 0.20 2.50
assign (resid 13 and name HN  )(resid 14 and name HN  ) 2.00 0.20 1.50
assign (resid 13 and name HA  )(resid 13 and name HG2*) 2.00 0.20 3.00
assign (resid 13 and name HA  )(resid 37 and name HB* ) 2.00 0.20 4.00 

remarks Gly 14

assign (resid 14 and name HN  )(resid 13 and name HA  ) 2.00 0.20 2.50
assign (resid 14 and name HN  )(resid 13 and name HB  ) 2.00 0.20 1.50
assign (resid 14 and name HN  )(resid 12 and name HB* ) 2.00 0.20 3.00 
assign (resid 14 and name HN  )(resid 12 and name HG* ) 2.00 0.20 4.00 
assign (resid 14 and name HN  )(resid 13 and name HG2*) 2.00 0.20 4.00
assign (resid 14 and name HN  )(resid 15 and name HN  ) 2.00 0.20 1.50
assign (resid 14 and name HN  )(resid 12 and name HA  ) 2.00 0.20 3.00

remarks Arg 15

assign (resid 15 and name HN  )(resid 14 and name HA* ) 2.00 0.20 1.00
assign (resid 15 and name HN  )(resid 15 and name HA  ) 2.00 0.20 2.00
assign (resid 15 and name HN  )(resid 15 and name HB* ) 2.00 0.20 3.00

remarks Cys 16

assign (resid 16 and name HN  )(resid 17 and name HN  ) 2.00 0.20 2.00
assign (resid 16 and name HN  )(resid 15 and name HA  ) 2.00 0.20 2.00
assign (resid 16 and name HN  )(resid 16 and name HB1 ) 2.00 0.20 2.00
assign (resid 16 and name HN  )(resid 16 and name HB2 ) 2.00 0.20 1.50
assign (resid 16 and name HN  )(resid 40 and name HN  ) 2.00 0.20 4.00


remarks Asn 17 

assign (resid 17 and name HN  )(resid 16 and name HA  ) 2.00 0.20 1.50
assign (resid 17 and name HN  )(resid 17 and name HB* ) 2.00 0.20 2.50
assign (resid 17 and name HN  )(resid 16 and name HB* ) 2.00 0.20 1.50

remarks Ala 18 

assign (resid 18 and name HN  )(resid 17 and name HA  ) 2.00 0.20 1.50
assign (resid 18 and name HN  )(resid 18 and name HA  ) 2.00 0.20 1.50
assign (resid 18 and name HN  )(resid 38 and name HA* ) 2.00 0.20 3.00
assign (resid 18 and name HN  )(resid 18 and name HB* ) 2.00 0.20 1.50

remarks Leu 19

assign (resid 19 and name HN  )(resid 18 and name HA  ) 2.00 0.20 1.50
assign (resid 19 and name HN  )(resid 18 and name HB* ) 2.00 0.20 2.50
assign (resid 19 and name HN  )(resid 19 and name HB* ) 2.00 0.20 2.50
assign (resid 19 and name HN  )(resid 19 and name HD* ) 2.00 0.20 4.00

remarks Ile 20

assign (resid 20 and name HN  )(resid 19 and name HN  ) 2.00 0.20 2.50
assign (resid 20 and name HN  )(resid 19 and name HA  ) 2.00 0.20 1.00
assign (resid 20 and name HN  )(resid 20 and name HA  ) 2.00 0.20 2.00
assign (resid 20 and name HN  )(resid 23 and name HD* ) 2.00 0.20 5.50
assign (resid 20 and name HN  )(resid 23 and name HE* ) 2.00 0.20 5.00
assign (resid 20 and name HN  )(resid 37 and name HN  ) 2.00 0.20 3.00
assign (resid 20 and name HA  )(resid 21 and name HD* ) 2.00 0.20 1.50
assign (resid 20 and name HN  )(resid 19 and name HD* ) 2.00 0.20 5.00
assign (resid 20 and name HN  )(resid 20 and name HB  ) 2.00 0.20 1.50
assign (resid 20 and name HN  )(resid 20 and name HD* ) 2.00 0.20 3.50

remarks Pro 21

remarks Ala 22

assign (resid 22 and name HN  )(resid 22 and name HB* ) 2.00 0.20 1.50
assign (resid 22 and name HN  )(resid 21 and name HA  ) 2.00 0.20 1.00
assign (resid 22 and name HN  )(resid 36 and name HA  ) 2.00 0.20 2.50
assign (resid 22 and name HN  )(resid 21 and name HB* ) 2.00 0.20 3.00

remarks Phe 23

assign (resid 23 and name HN  )(resid 22 and name HA  ) 2.00 0.20 0.50
assign (resid 23 and name HN  )(resid 22 and name HB* ) 2.00 0.20 1.70
assign (resid 23 and name HN  )(resid 23 and name HA  ) 2.00 0.20 2.00
assign (resid 23 and name HN  )(resid 23 and name HB1 ) 2.00 0.20 2.00
assign (resid 23 and name HN  )(resid 23 and name HB2 ) 2.00 0.20 1.50
assign (resid 23 and name HN  )(resid 23 and name HD* ) 2.00 0.20 2.00
assign (resid 23 and name HN  )(resid 34 and name HA  ) 2.00 0.20 2.50
assign (resid 23 and name HN  )(resid 35 and name HE* ) 2.00 0.20 3.50
assign (resid 23 and name HN  )(resid 47 and name HD* ) 2.00 0.20 3.50
assign (resid 23 and name HN  )(resid 47 and name HB* ) 2.00 0.20 3.50
assign (resid 23 and name HA  )(resid 23 and name HB1 ) 2.00 0.20 1.00
assign (resid 23 and name HA  )(resid 23 and name HB2 ) 2.00 0.20 1.50
assign (resid 23 and name HD* )(resid 22 and name HA  ) 2.00 0.20 3.00  
assign (resid 23 and name HD* )(resid 23 and name HA  ) 2.00 0.20 3.00
assign (resid 23 and name HD* )(resid 23 and name HB1 ) 2.00 0.20 2.00
assign (resid 23 and name HD* )(resid 23 and name HB2 ) 2.00 0.20 1.50
assign (resid 23 and name HD* )(resid 32 and name HA  ) 2.00 0.20 4.00
assign (resid 23 and name HD* )(resid 32 and name HB1 ) 2.00 0.20 3.00
assign (resid 23 and name HD* )(resid 32 and name HB2 ) 2.00 0.20 3.00
assign (resid 23 and name HD* )(resid 49 and name HA  ) 2.00 0.20 3.00
assign (resid 23 and name HD* )(resid 50 and name HA  ) 2.00 0.20 2.50
assign (resid 23 and name HD* )(resid 50 and name HB* ) 2.00 0.20 4.00
assign (resid 23 and name HD* )(resid 32 and name HB* ) 2.00 0.20 4.00 
assign (resid 23 and name HE* )(resid 22 and name HA  ) 2.00 0.20 3.50 
assign (resid 23 and name HE* )(resid 23 and name HA  ) 2.00 0.20 3.50 
assign (resid 23 and name HE* )(resid 23 and name HB* ) 2.00 0.20 3.00 
assign (resid 23 and name HE* )(resid 49 and name HA  ) 2.00 0.20 2.50 
assign (resid 23 and name HE* )(resid 50 and name HB* ) 2.00 0.20 4.00 
assign (resid 23 and name HD* )(resid 34 and name HB* ) 2.00 0.20 4.00
assign (resid 23 and name HD* )(resid 34 and name HG* ) 2.00 0.20 4.00
assign (resid 23 and name HD* )(resid 33 and name HG* ) 2.00 0.20 5.00
assign (resid 23 and name HD* )(resid 48 and name HA  ) 2.00 0.20 3.00
assign (resid 23 and name HD* )(resid 49 and name HB  ) 2.00 0.20 3.50 
assign (resid 23 and name HD* )(resid 22 and name HB* ) 2.00 0.20 5.00 
assign (resid 23 and name HD* )(resid 50 and name HG2*) 2.00 0.20 5.00 
assign (resid 23 and name HD* )(resid 50 and name HD* ) 2.00 0.20 5.00 
assign (resid 23 and name HE* )(resid 50 and name HD* ) 2.00 0.20 5.00 
assign (resid 23 and name HE* )(resid 49 and name HB  ) 2.00 0.20 4.00 

remarks Tyr 24

assign (resid 24 and name HN  )(resid 33 and name HN  ) 2.00 0.20 1.00
assign (resid 24 and name HN  )(resid 23 and name HA  ) 2.00 0.20 0.50
assign (resid 24 and name HN  )(resid 23 and name HB* ) 2.00 0.20 2.50
assign (resid 24 and name HN  )(resid 23 and name HD* ) 2.00 0.20 4.00
assign (resid 24 and name HN  )(resid 24 and name HA  ) 2.00 0.20 2.00
assign (resid 24 and name HN  )(resid 24 and name HB* ) 2.00 0.20 3.00
assign (resid 24 and name HN  )(resid 24 and name HD* ) 2.00 0.20 2.50
assign (resid 24 and name HN  )(resid 24 and name HE* ) 2.00 0.20 5.00
assign (resid 24 and name HN  )(resid 32 and name HB* ) 2.00 0.20 3.50
assign (resid 24 and name HN  )(resid 35 and name HD* ) 2.00 0.20 4.00
assign (resid 24 and name HN  )(resid 35 and name HE* ) 2.00 0.20 5.00
assign (resid 24 and name HN  )(resid 32 and name HA  ) 2.00 0.20 3.00
assign (resid 24 and name HN  )(resid 33 and name HB* ) 2.00 0.20 4.00
assign (resid 24 and name HN  )(resid 34 and name HA  ) 2.00 0.20 1.50
assign (resid 24 and name HA  )(resid 24 and name HB1 ) 2.00 0.20 1.30
assign (resid 24 and name HA  )(resid 24 and name HB2 ) 2.00 0.20 1.30
assign (resid 24 and name HA  )(resid 46 and name HA  ) 2.00 0.20 3.50
assign (resid 24 and name HD* )(resid 11 and name HB* ) 2.00 0.20 4.00
assign (resid 24 and name HD* )(resid 23 and name HA  ) 2.00 0.20 4.00
assign (resid 24 and name HD* )(resid 24 and name HA  ) 2.00 0.20 3.00
assign (resid 24 and name HD* )(resid 24 and name HB* ) 2.00 0.20 3.00
assign (resid 24 and name HD* )(resid 25 and name HN  ) 2.00 0.20 3.00
assign (resid 24 and name HD* )(resid 26 and name HA  ) 2.00 0.20 3.00
assign (resid 24 and name HD* )(resid 34 and name HA  ) 2.00 0.20 4.50
assign (resid 24 and name HD* )(resid 33 and name HB* ) 2.00 0.20 5.00
assign (resid 24 and name HD* )(resid 35 and name HB* ) 2.00 0.20 4.00
assign (resid 24 and name HD* )(resid 35 and name HD* ) 2.00 0.20 3.00
assign (resid 24 and name HE* )(resid 11 and name HG* ) 2.00 0.20 4.00
assign (resid 24 and name HE* )(resid 22 and name HB* ) 2.00 0.20 5.00
assign (resid 24 and name HE* )(resid 26 and name HA  ) 2.00 0.20 2.50
assign (resid 24 and name HE* )(resid 26 and name HB* ) 2.00 0.20 4.00
assign (resid 24 and name HE* )(resid 33 and name HB* ) 2.00 0.20 4.50
assign (resid 24 and name HE* )(resid 35 and name HB* ) 2.00 0.20 3.00
!assign (resid 24 and name HE* )(resid 40 and name HN  ) 2.00 0.20 5.00
assign (resid 24 and name HE* )(resid 11 and name HD* ) 2.00 0.20 4.50
assign (resid 24 and name HD* )(resid 46 and name HB* ) 2.00 0.20 3.00
assign (resid 24 and name HN  )(resid 33 and name HG* ) 2.00 0.20 3.50
assign (resid 24 and name HN  )(resid 32 and name HB* ) 2.00 0.20 3.50
assign (resid 24 and name HN  )(resid 35 and name HB* ) 2.00 0.20 3.50
assign (resid 24 and name HD* )(resid 11 and name HG* ) 2.00 0.20 4.50
assign (resid 24 and name HD* )(resid 22 and name HB* ) 2.00 0.20 4.50
assign (resid 24 and name HD* )(resid 26 and name HB* ) 2.00 0.20 4.00
assign (resid 24 and name HD* )(resid 33 and name HB* ) 2.00 0.20 4.00
assign (resid 24 and name HD* )(resid 11 and name HD* ) 2.00 0.20 4.50
assign (resid 24 and name HD* )(resid  7 and name HA  ) 2.00 0.20 4.00
assign (resid 24 and name HE* )(resid  7 and name HA  ) 2.00 0.20 4.00
assign (resid 24 and name HE* )(resid 24 and name HB* ) 2.00 0.20 4.00

remarks Tyr 25

assign (resid 25 and name HN  )(resid 24 and name HA  ) 2.00 0.20 0.50
assign (resid 25 and name HN  )(resid 26 and name HN  ) 2.00 0.20 2.50
assign (resid 25 and name HN  )(resid 25 and name HB1 ) 2.00 0.20 2.00
assign (resid 25 and name HN  )(resid 25 and name HB2 ) 2.00 0.20 1.50
assign (resid 25 and name HN  )(resid 24 and name HN  ) 2.00 0.20 3.00
assign (resid 25 and name HN  )(resid 47 and name HE* ) 2.00 0.20 4.50
assign (resid 25 and name HA  )(resid 25 and name HB1 ) 2.00 0.20 1.50
assign (resid 25 and name HA  )(resid 25 and name HB2 ) 2.00 0.20 1.00
assign (resid 25 and name HE* )(resid 25 and name HA  ) 2.00 0.20 3.00
assign (resid 25 and name HE* )(resid 30 and name HA  ) 2.00 0.20 4.00
assign (resid 25 and name HE* )(resid 31 and name HA  ) 2.00 0.20 5.00
assign (resid 25 and name HE* )(resid 58 and name HA  ) 2.00 0.20 3.00
assign (resid 25 and name HE* )(resid 27 and name HB* ) 2.00 0.20 4.00
assign (resid 25 and name HE* )(resid 58 and name HB* ) 2.00 0.20 4.00
assign (resid 25 and name HE* )(resid 27 and name HA  ) 2.00 0.20 3.00

remarks Asn 26

assign (resid 26 and name HN  )(resid 27 and name HN  ) 2.00 0.20 3.00
assign (resid 26 and name HN  )(resid 31 and name HN  ) 2.00 0.20 2.00
assign (resid 26 and name HN  )(resid 32 and name HA  ) 2.00 0.20 1.50
assign (resid 26 and name HN  )(resid 25 and name HB1 ) 2.00 0.20 2.30
assign (resid 26 and name HN  )(resid 25 and name HB2 ) 2.00 0.20 2.00
assign (resid 26 and name HN  )(resid 26 and name HB* ) 2.00 0.20 2.50
assign (resid 26 and name HN  )(resid 24 and name HD* ) 2.00 0.20 2.50
assign (resid 26 and name HD* )(resid 29 and name HD* ) 2.00 0.20 3.50

remarks Ser 27

assign (resid 27 and name HN  )(resid 24 and name HE* ) 2.00 0.20 4.00
assign (resid 27 and name HN  )(resid 28 and name HN  ) 2.00 0.20 1.50
assign (resid 27 and name HN  )(resid 26 and name HA  ) 2.00 0.20 1.50
assign (resid 27 and name HN  )(resid 26 and name HB* ) 2.00 0.20 4.00
assign (resid 27 and name HN  )(resid 27 and name HA  ) 2.00 0.20 2.00
assign (resid 27 and name HN  )(resid 27 and name HB* ) 2.00 0.20 2.50

remarks His 28

assign (resid 28 and name HN  )(resid 27 and name HN  ) 2.00 0.20 2.00
assign (resid 28 and name HN  )(resid 29 and name HN  ) 2.00 0.20 1.00
assign (resid 28 and name HN  )(resid 30 and name HN  ) 2.00 0.20 2.50
assign (resid 28 and name HN  )(resid 26 and name HA  ) 2.00 0.20 3.00
assign (resid 28 and name HN  )(resid 27 and name HA  ) 2.00 0.20 3.00
assign (resid 28 and name HN  )(resid 27 and name HB* ) 2.00 0.20 4.00
assign (resid 28 and name HN  )(resid 28 and name HB* ) 2.00 0.20 4.00

remarks Leu 29

assign (resid 29 and name HN  )(resid 28 and name HA  ) 2.00 0.20 2.00
assign (resid 29 and name HN  )(resid 28 and name HB* ) 2.00 0.20 3.00
assign (resid 29 and name HN  )(resid 29 and name HB* ) 2.00 0.20 2.50
assign (resid 29 and name HN  )(resid 29 and name HG  ) 2.00 0.20 3.00
assign (resid 29 and name HN  )(resid 29 and name HD* ) 2.00 0.20 4.50

remarks His 30

assign (resid 30 and name HN  )(resid 31 and name HN  ) 2.00 0.20 1.50
assign (resid 30 and name HN  )(resid 27 and name HA  ) 2.00 0.20 2.00
assign (resid 30 and name HN  )(resid 29 and name HA  ) 2.00 0.20 3.00
assign (resid 30 and name HN  )(resid 29 and name HB* ) 2.00 0.20 4.00
assign (resid 30 and name HN  )(resid 30 and name HA  ) 2.00 0.20 1.50
assign (resid 30 and name HN  )(resid 30 and name HB* ) 2.00 0.20 2.50
assign (resid 30 and name HA  )(resid 30 and name HB1 ) 2.00 0.20 1.00
assign (resid 30 and name HA  )(resid 30 and name HB2 ) 2.00 0.20 1.00
assign (resid 30 and name HD2 )(resid 27 and name HA  ) 2.00 0.20 2.50
assign (resid 30 and name HD2 )(resid 29 and name HA  ) 2.00 0.20 3.00
assign (resid 30 and name HN  )(resid 29 and name HB* ) 2.00 0.20 3.50
assign (resid 30 and name HN  )(resid 29 and name HG  ) 2.00 0.20 2.50

remarks Lys 31

assign (resid 31 and name HN  )(resid 26 and name HN  ) 2.00 0.20 1.50
assign (resid 31 and name HN  )(resid 26 and name HB* ) 2.00 0.20 2.00
assign (resid 31 and name HN  )(resid 30 and name HA  ) 2.00 0.20 1.00
assign (resid 31 and name HN  )(resid 30 and name HB1 ) 2.00 0.20 2.50
assign (resid 31 and name HN  )(resid 30 and name HB2 ) 2.00 0.20 2.50
assign (resid 31 and name HN  )(resid 27 and name HA  ) 2.00 0.20 3.00

remarks Cys 32

assign (resid 32 and name HN  )(resid 31 and name HA  ) 2.00 0.20 0.50
assign (resid 32 and name HN  )(resid 31 and name HB* ) 2.00 0.20 2.00
assign (resid 32 and name HN  )(resid 32 and name HA  ) 2.00 0.20 2.50
assign (resid 32 and name HN  )(resid 32 and name HB1 ) 2.00 0.20 1.50
assign (resid 32 and name HN  )(resid 32 and name HB2 ) 2.00 0.20 2.00
assign (resid 32 and name HA  )(resid 32 and name HB1 ) 2.00 0.20 1.50
assign (resid 32 and name HA  )(resid 32 and name HB2 ) 2.00 0.20 1.00
assign (resid 32 and name HA  )(resid 25 and name HA  ) 2.00 0.20 0.50
assign (resid 32 and name HB* )(resid 29 and name HD* ) 2.00 0.20 4.50
assign (resid 32 and name HN  )(resid 31 and name HG* ) 2.00 0.20 4.00

remarks Gln 33

assign (resid 33 and name HN  )(resid 26 and name HN  ) 2.00 0.20 2.50
assign (resid 33 and name HN  )(resid 32 and name HN  ) 2.00 0.20 3.00
assign (resid 33 and name HN  )(resid 34 and name HN  ) 2.00 0.20 3.00
assign (resid 33 and name HN  )(resid 23 and name HA  ) 2.00 0.20 3.00
assign (resid 33 and name HN  )(resid 23 and name HB1 ) 2.00 0.20 3.00
assign (resid 33 and name HN  )(resid 23 and name HB2 ) 2.00 0.20 3.50
assign (resid 33 and name HN  )(resid 23 and name HD* ) 2.00 0.20 4.00
assign (resid 33 and name HN  )(resid 25 and name HA  ) 2.00 0.20 1.50
assign (resid 33 and name HN  )(resid 32 and name HA  ) 2.00 0.20 0.50
assign (resid 33 and name HN  )(resid 32 and name HB1 ) 2.00 0.20 2.50
assign (resid 33 and name HN  )(resid 32 and name HB2 ) 2.00 0.20 2.00
assign (resid 33 and name HN  )(resid 33 and name HA  ) 2.00 0.20 2.50
assign (resid 33 and name HN  )(resid 33 and name HB* ) 2.00 0.20 3.00 
assign (resid 33 and name HN  )(resid 33 and name HG* ) 2.00 0.20 3.00 

remarks Lys 34

assign (resid 34 and name HN  )(resid 33 and name HA  ) 2.00 0.20 0.50
assign (resid 34 and name HN  )(resid 33 and name HB* ) 2.00 0.20 2.50
assign (resid 34 and name HN  )(resid 33 and name HG* ) 2.00 0.20 3.00
assign (resid 34 and name HN  )(resid 34 and name HB* ) 2.00 0.20 3.00
assign (resid 34 and name HN  )(resid 34 and name HA  ) 2.00 0.20 1.50

remarks Phe 35

assign (resid 35 and name HN  )(resid 22 and name HN  ) 2.00 0.20 1.50
assign (resid 35 and name HN  )(resid 34 and name HN  ) 2.00 0.20 3.00
assign (resid 35 and name HN  )(resid 23 and name HA  ) 2.00 0.20 1.50
assign (resid 35 and name HN  )(resid 23 and name HD* ) 2.00 0.20 4.00
assign (resid 35 and name HN  )(resid 24 and name HD* ) 2.00 0.20 4.00
assign (resid 35 and name HN  )(resid 34 and name HB* ) 2.00 0.20 2.50
assign (resid 35 and name HN  )(resid 35 and name HB* ) 2.00 0.20 3.00
assign (resid 35 and name HN  )(resid 35 and name HD* ) 2.00 0.20 2.00
assign (resid 35 and name HN  )(resid 36 and name HN  ) 2.00 0.20 3.00
assign (resid 35 and name HD* )(resid 13 and name HA  ) 2.00 0.20 3.50
assign (resid 35 and name HD* )(resid 22 and name HB* ) 2.00 0.20 3.50
assign (resid 35 and name HD* )(resid 23 and name HA  ) 2.00 0.20 3.00
assign (resid 35 and name HD* )(resid 24 and name HA  ) 2.00 0.20 4.00
assign (resid 35 and name HD* )(resid 24 and name HB* ) 2.00 0.20 4.00
assign (resid 35 and name HD* )(resid 35 and name HA  ) 2.00 0.20 3.00
assign (resid 35 and name HD* )(resid 35 and name HB* ) 2.00 0.20 4.00
assign (resid 35 and name HE* )(resid 13 and name HA  ) 2.00 0.20 2.50
assign (resid 35 and name HE* )(resid 24 and name HA  ) 2.00 0.20 4.00
assign (resid 35 and name HE* )(resid 37 and name HA  ) 2.00 0.20 3.00
assign (resid 35 and name HE* )(resid 46 and name HA  ) 2.00 0.20 3.00
assign (resid 35 and name HN  )(resid 22 and name HA  ) 2.00 0.20 2.50
assign (resid 35 and name HE* )(resid 22 and name HB* ) 2.00 0.20 3.50
assign (resid 35 and name HE* )(resid 24 and name HB* ) 2.00 0.20 3.50
assign (resid 35 and name HN  )(resid 34 and name HG* ) 2.00 0.20 3.50
assign (resid 35 and name HN  )(resid 22 and name HB* ) 2.00 0.20 5.00
assign (resid 35 and name HZ  )(resid 22 and name HB* ) 2.00 0.20 4.00
assign (resid 35 and name HZ  )(resid 46 and name HB* ) 2.00 0.20 3.00
assign (resid 35 and name HZ  )(resid 37 and name HB* ) 2.00 0.20 4.50

remarks Asn 36

assign (resid 36 and name HN  )(resid 35 and name HB* ) 2.00 0.20 1.50
assign (resid 36 and name HN  )(resid 35 and name HD* ) 2.00 0.20 3.00
assign (resid 36 and name HN  )(resid 36 and name HB1 ) 2.00 0.20 1.50
assign (resid 36 and name HN  )(resid 36 and name HB2 ) 2.00 0.20 2.00
assign (resid 36 and name HA  )(resid 36 and name HB1 ) 2.00 0.20 0.80
assign (resid 36 and name HA  )(resid 36 and name HB2 ) 2.00 0.20 0.80
assign (resid 36 and name HN  )(resid 35 and name HA  ) 2.00 0.20 2.00
assign (resid 36 and name HN  )(resid 36 and name HA  ) 2.00 0.20 1.50

remarks Tyr 37

assign (resid 37 and name HN  )(resid 36 and name HA  ) 2.00 0.20 1.50
assign (resid 37 and name HB* )(resid 22 and name HB* ) 2.00 0.20 5.00
assign (resid 37 and name HD* )(resid 13 and name HA  ) 2.00 0.20 3.00
assign (resid 37 and name HD* )(resid 13 and name HB  ) 2.00 0.20 3.00
assign (resid 37 and name HD* )(resid 13 and name HG2*) 2.00 0.20 4.50
assign (resid 37 and name HD* )(resid 37 and name HA  ) 2.00 0.20 2.50
assign (resid 37 and name HE* )(resid 20 and name HD1*) 2.00 0.20 5.50
assign (resid 37 and name HE* )(resid 13 and name HA  ) 2.00 0.20 3.00
assign (resid 37 and name HE* )(resid 14 and name HA* ) 2.00 0.20 3.00
assign (resid 37 and name HE* )(resid 37 and name HA  ) 2.00 0.20 3.50
assign (resid 37 and name HE* )(resid 13 and name HG2*) 2.00 0.20 4.00
assign (resid 37 and name HE* )(resid 38 and name HA* ) 2.00 0.20 4.00
assign (resid 37 and name HE* )(resid 42 and name HA* ) 2.00 0.20 3.00 
assign (resid 37 and name HN  )(resid 20 and name HA  ) 2.00 0.20 3.00
assign (resid 37 and name HN  )(resid 22 and name HB* ) 2.00 0.20 4.50
assign (resid 37 and name HD* )(resid 20 and name HD* ) 2.00 0.20 5.00
assign (resid 37 and name HD* )(resid 20 and name HG2*) 2.00 0.20 4.50
assign (resid 37 and name HE* )(resid 20 and name HG2*) 2.00 0.20 5.00

remarks Gly 38

assign (resid 38 and name HN  )(resid 13 and name HA  ) 2.00 0.20 2.50
assign (resid 38 and name HN  )(resid 13 and name HG2*) 2.00 0.20 3.00
assign (resid 38 and name HN  )(resid 37 and name HA  ) 2.00 0.20 2.50
assign (resid 38 and name HN  )(resid 37 and name HB* ) 2.00 0.20 3.00
assign (resid 38 and name HN  )(resid 37 and name HD* ) 2.00 0.20 3.50
assign (resid 38 and name HA* )(resid 18 and name HB* ) 2.00 0.20 3.50

remarks Gly 39

assign (resid 39 and name HN  )(resid 38 and name HA* ) 2.00 0.20 2.50
!assign (resid 39 and name HA* )(resid 18 and name HB* ) 2.00 0.20 3.50
assign (resid 39 and name HA* )(resid 20 and name HD1*) 2.00 0.20 4.50

remarks Cys 40

assign (resid 40 and name HN  )(resid 39 and name HA* ) 2.00 0.20 3.00
assign (resid 40 and name HN  )(resid 40 and name HA  ) 2.00 0.20 2.00
assign (resid 40 and name HN  )(resid 40 and name HB1 ) 2.00 0.20 2.50
assign (resid 40 and name HN  )(resid 40 and name HB2 ) 2.00 0.20 2.50
assign (resid 40 and name HN  )(resid 16 and name HB* ) 2.00 0.20 4.00
assign (resid 40 and name HN  )(resid 37 and name HE* ) 2.00 0.20 4.00
assign (resid 40 and name HA  )(resid 40 and name HB1 ) 2.00 0.20 1.00
assign (resid 40 and name HA  )(resid 40 and name HB2 ) 2.00 0.20 1.50

remarks Gly 41

assign (resid 41 and name HN  )(resid 40 and name HA  ) 2.00 0.20 1.50
assign (resid 41 and name HN  )(resid 41 and name HA* ) 2.00 0.20 2.00
assign (resid 41 and name HN  )(resid 42 and name HN  ) 2.00 0.20 2.50
assign (resid 41 and name HN  )(resid 40 and name HB* ) 2.00 0.20 2.50

remarks Gly 42

assign (resid 42 and name HN  )(resid 41 and name HA* ) 2.00 0.20 1.50
assign (resid 42 and name HN  )(resid 42 and name HA* ) 2.00 0.20 2.00
assign (resid 42 and name HN  )(resid 37 and name HE* ) 2.00 0.20 3.50
assign (resid 42 and name HN  )(resid 12 and name HB* ) 2.00 0.20 4.50

remarks Asn 43

assign (resid 43 and name HD* )(resid  9 and name HG  ) 2.00 0.20 3.00
assign (resid 43 and name HD* )(resid  9 and name HD* ) 2.00 0.20 4.50
assign (resid 43 and name HD* )(resid 12 and name HG* ) 2.00 0.20 4.00
assign (resid 43 and name HN  )(resid 12 and name HB* ) 2.00 0.20 3.50
assign (resid 43 and name HN  )(resid 42 and name HA* ) 2.00 0.20 1.50
assign (resid 43 and name HN  )(resid 43 and name HA  ) 2.00 0.20 2.00
assign (resid 43 and name HN  )(resid 43 and name HB1 ) 2.00 0.20 2.50
assign (resid 43 and name HN  )(resid 43 and name HB2 ) 2.00 0.20 2.50
assign (resid 43 and name HN  )(resid 12 and name HG* ) 2.00 0.20 3.50
assign (resid 43 and name HD* )(resid 43 and name HB* ) 2.00 0.20 3.00

remarks Ala 44

assign (resid 44 and name HN  )(resid  9 and name HD* ) 2.00 0.20 3.00
assign (resid 44 and name HN  )(resid 44 and name HB* ) 2.00 0.20 1.50
assign (resid 44 and name HN  )(resid 43 and name HA  ) 2.00 0.20 1.00
assign (resid 44 and name HN  )(resid 43 and name HB1 ) 2.00 0.20 1.00
assign (resid 44 and name HN  )(resid 43 and name HB2 ) 2.00 0.20 1.50
assign (resid 44 and name HN  )(resid 44 and name HA  ) 2.00 0.20 1.50

remarks Asn 45

assign (resid 45 and name HN  )(resid  6 and name HB* ) 2.00 0.20 3.50
assign (resid 45 and name HN  )(resid  9 and name HD* ) 2.00 0.20 5.00
assign (resid 45 and name HN  )(resid 44 and name HA  ) 2.00 0.20 3.00
assign (resid 45 and name HN  )(resid 44 and name HB* ) 2.00 0.20 4.00
assign (resid 45 and name HN  )(resid 45 and name HB1 ) 2.00 0.20 1.50
assign (resid 45 and name HN  )(resid 45 and name HB2 ) 2.00 0.20 1.50
assign (resid 45 and name HN  )(resid 46 and name HN  ) 2.00 0.20 2.50
assign (resid 45 and name HN  )(resid 46 and name HB* ) 2.00 0.20 5.00
assign (resid 45 and name HD* )(resid 25 and name HB* ) 2.00 0.20 3.00
assign (resid 45 and name HD* )(resid 45 and name HB* ) 2.00 0.20 4.50
assign (resid 45 and name HD* )(resid 24 and name HA  ) 2.00 0.20 3.50
assign (resid 45 and name HD* )(resid  9 and name HB* ) 2.00 0.20 3.50
assign (resid 45 and name HN  )(resid 43 and name HB* ) 2.00 0.20 4.50

remarks Asn 46

assign (resid 46 and name HN  )(resid 45 and name HN  ) 2.00 0.20 2.50
assign (resid 46 and name HN  )(resid 44 and name HA  ) 2.00 0.20 3.00

remarks Phe47

assign (resid 47 and name HN  )(resid 23 and name HN  ) 2.00 0.20 1.00
assign (resid 47 and name HN  )(resid 23 and name HD* ) 2.00 0.20 4.00
assign (resid 47 and name HN  )(resid 24 and name HD* ) 2.00 0.20 2.50
assign (resid 47 and name HN  )(resid 35 and name HE* ) 2.00 0.20 3.50
assign (resid 47 and name HN  )(resid 46 and name HN  ) 2.00 0.20 2.50
assign (resid 47 and name HN  )(resid 22 and name HB* ) 2.00 0.20 3.00
assign (resid 47 and name HN  )(resid 23 and name HB1 ) 2.00 0.20 2.50
assign (resid 47 and name HN  )(resid 24 and name HA  ) 2.00 0.20 3.00
assign (resid 47 and name HN  )(resid 46 and name HA  ) 2.00 0.20 1.00
assign (resid 47 and name HN  )(resid 46 and name HB* ) 2.00 0.20 2.50
assign (resid 47 and name HN  )(resid 47 and name HA  ) 2.00 0.20 2.00
assign (resid 47 and name HN  )(resid 47 and name HB1 ) 2.00 0.20 2.00
assign (resid 47 and name HN  )(resid 47 and name HB2 ) 2.00 0.20 1.50
assign (resid 47 and name HA  )(resid 47 and name HB1 ) 2.00 0.20 0.50
assign (resid 47 and name HA  )(resid 47 and name HB2 ) 2.00 0.20 1.00
!assign (resid 47 and name HD* )(resid 22 and name HB* ) 2.00 0.20 5.00
assign (resid 47 and name HD* )(resid 23 and name HB* ) 2.00 0.20 4.00
assign (resid 47 and name HD* )(resid 24 and name HA  ) 2.00 0.20 2.00
assign (resid 47 and name HD* )(resid 34 and name HA  ) 2.00 0.20 5.00
assign (resid 47 and name HD* )(resid 46 and name HA  ) 2.00 0.20 3.00
assign (resid 47 and name HD* )(resid 47 and name HA  ) 2.00 0.20 2.50
assign (resid 47 and name HD* )(resid 53 and name HA  ) 2.00 0.20 2.50
assign (resid 47 and name HD* )(resid 53 and name HB* ) 2.00 0.20 3.50
assign (resid 47 and name HE* )(resid 24 and name HA  ) 2.00 0.20 3.50
assign (resid 47 and name HE* )(resid 56 and name HB  ) 2.00 0.20 2.50
assign (resid 47 and name HE* )(resid 56 and name HG2*) 2.00 0.20 3.50
assign (resid 47 and name HZ  )(resid 45 and name HA  ) 2.00 0.20 3.00
assign (resid 47 and name HZ  )(resid 24 and name HA  ) 2.00 0.20 3.00

remarks Lys 48

assign (resid 48 and name HN  )(resid 47 and name HD* ) 2.00 0.20 3.00
assign (resid 48 and name HN  )(resid 49 and name HN  ) 2.00 0.20 1.50
assign (resid 48 and name HN  )(resid 47 and name HA  ) 2.00 0.20 1.00
assign (resid 48 and name HN  )(resid 47 and name HB1 ) 2.00 0.20 2.00
assign (resid 48 and name HN  )(resid 47 and name HB2 ) 2.00 0.20 2.50
assign (resid 48 and name HN  )(resid 48 and name HA  ) 2.00 0.20 1.50
assign (resid 48 and name HN  )(resid 49 and name HG2*) 2.00 0.20 5.00 
assign (resid 48 and name HN  )(resid 52 and name HB* ) 2.00 0.20 4.00 
assign (resid 48 and name HN  )(resid 48 and name HB* ) 2.00 0.20 3.50 
assign (resid 48 and name HN  )(resid 48 and name HB* ) 2.00 0.20 4.00 

remarks Thr 49

assign (resid 49 and name HN  )(resid 49 and name HA  ) 2.00 0.20 1.00
assign (resid 49 and name HN  )(resid 49 and name HB  ) 2.00 0.20 2.50
assign (resid 49 and name HN  )(resid 23 and name HB* ) 2.00 0.20 4.00 

remarks Ile 50

assign (resid 50 and name HN  )(resid 23 and name HD* ) 2.00 0.20 3.50
assign (resid 50 and name HN  )(resid 49 and name HN  ) 2.00 0.20 2.00
assign (resid 50 and name HN  )(resid 51 and name HN  ) 2.00 0.20 1.00
assign (resid 50 and name HN  )(resid 49 and name HA  ) 2.00 0.20 1.00
assign (resid 50 and name HN  )(resid 49 and name HG2*) 2.00 0.20 3.00
assign (resid 50 and name HN  )(resid 50 and name HA  ) 2.00 0.20 1.50
assign (resid 50 and name HA  )(resid 23 and name HB* ) 2.00 0.20 2.50
assign (resid 50 and name HA  )(resid 53 and name HB* ) 2.00 0.20 3.00
assign (resid 50 and name HN  )(resid 50 and name HB  ) 2.00 0.20 1.50

remarks Asp 51

assign (resid 51 and name HA  )(resid 54 and name HB* ) 2.00 0.20 1.50
assign (resid 51 and name HN  )(resid 49 and name HB  ) 2.00 0.20 1.50
assign (resid 51 and name HN  )(resid 51 and name HB* ) 2.00 0.20 2.50

remarks Thr 52

assign (resid 52 and name HN  )(resid 49 and name HB  ) 2.00 0.20 2.50
assign (resid 52 and name HN  )(resid 51 and name HN  ) 2.00 0.20 1.00
assign (resid 52 and name HN  )(resid 52 and name HA  ) 2.00 0.20 1.50
assign (resid 52 and name HN  )(resid 52 and name HB* ) 2.00 0.20 2.50
assign (resid 52 and name HN  )(resid 53 and name HN  ) 2.00 0.20 1.00
assign (resid 52 and name HN  )(resid 52 and name HG* ) 2.00 0.20 3.50

remarks Cys 53

assign (resid 53 and name HN  )(resid 47 and name HB* ) 2.00 0.20 2.50
assign (resid 53 and name HN  )(resid 50 and name HA  ) 2.00 0.20 2.50
assign (resid 53 and name HN  )(resid 52 and name HA  ) 2.00 0.20 2.50
assign (resid 53 and name HN  )(resid 52 and name HB* ) 2.00 0.20 2.50
assign (resid 53 and name HN  )(resid 52 and name HG* ) 2.00 0.20 3.00
assign (resid 53 and name HN  )(resid 53 and name HA  ) 2.00 0.20 2.00
assign (resid 53 and name HN  )(resid 53 and name HB* ) 2.00 0.20 2.00

remarks Gln 54

assign (resid 54 and name HN  )(resid 51 and name HN  ) 2.00 0.20 3.00
assign (resid 54 and name HN  )(resid 52 and name HN  ) 2.00 0.20 3.00
assign (resid 54 and name HN  )(resid 53 and name HN  ) 2.00 0.20 1.50
assign (resid 54 and name HN  )(resid 55 and name HN  ) 2.00 0.20 1.50
assign (resid 54 and name HN  )(resid 50 and name HA  ) 2.00 0.20 3.00
assign (resid 54 and name HN  )(resid 51 and name HA  ) 2.00 0.20 1.50
assign (resid 54 and name HN  )(resid 53 and name HA  ) 2.00 0.20 1.50
assign (resid 54 and name HN  )(resid 53 and name HB* ) 2.00 0.20 1.50
assign (resid 54 and name HN  )(resid 54 and name HA  ) 2.00 0.20 2.00
assign (resid 54 and name HN  )(resid 54 and name HB1 ) 2.00 0.20 2.00
assign (resid 54 and name HN  )(resid 54 and name HB2 ) 2.00 0.20 2.00
assign (resid 54 and name HA  )(resid 54 and name HB1 ) 2.00 0.20 1.00
assign (resid 54 and name HA  )(resid 54 and name HB2 ) 2.00 0.20 1.00
assign (resid 54 and name HA  )(resid 58 and name HB* ) 2.00 0.20 2.50
assign (resid 54 and name HN  )(resid 50 and name HB  ) 2.00 0.20 3.00
assign (resid 54 and name HD* )(resid 50 and name HB  ) 2.00 0.20 4.00
assign (resid 54 and name HD* )(resid 50 and name HD* ) 2.00 0.20 5.00

remarks Arg 55

assign (resid 55 and name HN  )(resid 56 and name HN  ) 2.00 0.20 1.50
assign (resid 55 and name HN  )(resid 51 and name HA  ) 2.00 0.20 2.50
assign (resid 55 and name HN  )(resid 54 and name HA  ) 2.00 0.20 2.50
assign (resid 55 and name HN  )(resid 54 and name HB1 ) 2.00 0.20 2.00
assign (resid 55 and name HN  )(resid 54 and name HB2 ) 2.00 0.20 2.50
assign (resid 55 and name HN  )(resid 55 and name HA  ) 2.00 0.20 2.00
assign (resid 55 and name HN  )(resid 54 and name HG* ) 2.00 0.20 3.50
assign (resid 55 and name HN  )(resid 55 and name HB* ) 2.00 0.20 2.50

remarks Thr 56

assign (resid 56 and name HN  )(resid 53 and name HA  ) 2.00 0.20 2.50
assign (resid 56 and name HN  )(resid 56 and name HA  ) 2.00 0.20 2.00
assign (resid 56 and name HN  )(resid 56 and name HG2*) 2.00 0.20 4.00
assign (resid 56 and name HN  )(resid 55 and name HB* ) 2.00 0.20 3.00

remarks Cys 57

assign (resid 57 and name HN  )(resid 53 and name HA  ) 2.00 0.20 3.00
assign (resid 57 and name HN  )(resid 54 and name HA  ) 2.00 0.20 3.00
assign (resid 57 and name HN  )(resid 56 and name HA  ) 2.00 0.20 3.00
assign (resid 57 and name HN  )(resid 57 and name HB* ) 2.00 0.20 2.50

remarks Ala 58

assign (resid 58 and name HN  )(resid 54 and name HA  ) 2.00 0.20 2.00
assign (resid 58 and name HN  )(resid 57 and name HA  ) 2.00 0.20 3.00
assign (resid 58 and name HN  )(resid 57 and name HB* ) 2.00 0.20 3.50
assign (resid 58 and name HN  )(resid 58 and name HA  ) 2.00 0.20 2.50
assign (resid 58 and name HN  )(resid 56 and name HG2*) 2.00 0.20 2.50

remarks Ala 59

assign (resid 59 and name HN  )(resid 59 and name HA  ) 2.00 0.20 2.00
assign (resid 59 and name HN  )(resid 58 and name HA  ) 2.00 0.20 1.50
assign (resid 59 and name HN  )(resid 59 and name HB* ) 2.00 0.20 4.00
   
remarks Lys 60

assign (resid 60 and name HN  )(resid 60 and name HA  ) 2.00 0.20 2.50
assign (resid 60 and name HN  )(resid 59 and name HB* ) 2.00 0.20 4.00
assign (resid 60 and name HN  )(resid 59 and name HA  ) 2.00 0.20 2.50

remarks Tyr 61

assign (resid 61 and name HD* )(resid 61 and name HA  ) 2.00 0.20 4.00 
assign (resid 61 and name HN  )(resid 61 and name HB* ) 2.00 0.20 3.00
assign (resid 61 and name HD* )(resid 61 and name HB* ) 2.00 0.20 4.00
assign (resid 61 and name HE* )(resid 61 and name HB* ) 2.00 0.20 4.00

remarks Gly 62

assign (resid 63 and name HN  )(resid 62 and name HA* ) 2.00 0.20 3.50

remarks Arg 63

remarks Ser 64

remarks Ser 65

remarks Hydrogen bonds

assign (resid  5 and name O   )(resid  8 and name HN  ) 2.30 0.50 0.20
assign (resid  5 and name O   )(resid  8 and name N   ) 3.00 0.50 0.30
assign (resid  6 and name O   )(resid  9 and name HN  ) 2.30 0.50 0.20
assign (resid  6 and name O   )(resid  9 and name N   ) 3.00 0.50 0.30
assign (resid 23 and name O   )(resid 47 and name HN  ) 2.30 0.50 0.20
assign (resid 23 and name O   )(resid 47 and name N   ) 3.00 0.50 0.30
assign (resid 26 and name O   )(resid 31 and name N   ) 3.00 0.50 0.30
assign (resid 24 and name O   )(resid 33 and name N   ) 3.00 0.50 0.30
assign (resid 22 and name O   )(resid 35 and name N   ) 3.00 0.50 0.30
assign (resid 31 and name O   )(resid 26 and name N   ) 3.00 0.50 0.30
assign (resid 33 and name O   )(resid 24 and name N   ) 3.00 0.50 0.30
assign (resid 35 and name O   )(resid 22 and name N   ) 3.00 0.50 0.30
assign (resid 47 and name O   )(resid 23 and name HN  ) 2.30 0.50 0.20
assign (resid 47 and name O   )(resid 23 and name N   ) 3.00 0.50 0.30
assign (resid 49 and name O   )(resid 53 and name N   ) 3.00 0.50 0.30
assign (resid 50 and name O   )(resid 54 and name N   ) 3.00 0.50 0.30
assign (resid 51 and name O   )(resid 55 and name N   ) 3.00 0.50 0.30
assign (resid 52 and name O   )(resid 56 and name N   ) 3.00 0.50 0.30
assign (resid 53 and name O   )(resid 57 and name N   ) 3.00 0.50 0.30
assign (resid 54 and name O   )(resid 58 and name N   ) 3.00 0.50 0.30
assign (resid 26 and name O   )(resid 31 and name HN  ) 2.30 0.50 0.20
assign (resid 24 and name O   )(resid 33 and name HN  ) 2.30 0.50 0.20
assign (resid 22 and name O   )(resid 35 and name HN  ) 2.30 0.50 0.20
assign (resid 31 and name O   )(resid 26 and name HN  ) 2.30 0.50 0.20
assign (resid 33 and name O   )(resid 24 and name HN  ) 2.30 0.50 0.20
assign (resid 35 and name O   )(resid 22 and name HN  ) 2.30 0.50 0.20
assign (resid 49 and name O   )(resid 53 and name HN  ) 2.30 0.50 0.20
assign (resid 50 and name O   )(resid 54 and name HN  ) 2.30 0.50 0.20
assign (resid 51 and name O   )(resid 55 and name HN  ) 2.30 0.50 0.20
assign (resid 52 and name O   )(resid 56 and name HN  ) 2.30 0.50 0.20
assign (resid 53 and name O   )(resid 57 and name HN  ) 2.30 0.50 0.20
assign (resid 54 and name O   )(resid 58 and name HN  ) 2.30 0.50 0.20

set echo=true end
set wrnlev=5 end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          HT1       LYS   1   5.799 -17.582 -16.138
    2   2H    LYS   1          HT2       LYS   1   6.023 -16.141 -15.266
    3   3H    LYS   1          HT3       LYS   1   4.584 -17.028 -15.094
    4    HA   LYS   1           HA       LYS   1   5.562 -18.674 -13.837
    5   1HB   LYS   1          HB2       LYS   1   7.996 -17.800 -15.327
    6   2HB   LYS   1          HB1       LYS   1   8.235 -18.499 -13.724
    7   1HG   LYS   1          HG2       LYS   1   6.477 -20.287 -14.696
    8   2HG   LYS   1          HG1       LYS   1   7.216 -19.775 -16.214
    9   1HD   LYS   1          HD2       LYS   1   8.762 -21.371 -15.682
   10   2HD   LYS   1          HD1       LYS   1   9.442 -20.079 -14.694
   11   1HE   LYS   1          HE2       LYS   1   7.396 -22.077 -13.691
   12   2HE   LYS   1          HE1       LYS   1   9.135 -22.241 -13.449
   13   1HZ   LYS   1          HZ1       LYS   1   7.440 -19.990 -12.513
   14   2HZ   LYS   1          HZ2       LYS   1   9.126 -20.085 -12.328
   15   3HZ   LYS   1          HZ3       LYS   1   8.118 -21.204 -11.541
   16    H    ASN   2           H        ASN   2   4.905 -17.748 -11.947
   17    HA   ASN   2           HA       ASN   2   5.020 -16.534  -9.945
   18   1HB   ASN   2          HB2       ASN   2   7.855 -15.810 -10.735
   19   2HB   ASN   2          HB1       ASN   2   7.174 -15.889  -9.110
   20   1HD2  ASN   2          1HD2      ASN   2   6.954 -17.996  -8.113
   21   2HD2  ASN   2          2HD2      ASN   2   7.620 -19.396  -8.804
   22    H    ARG   3           H        ARG   3   4.527 -14.425  -9.339
   23    HA   ARG   3           HA       ARG   3   4.198 -12.477 -11.496
   24   1HB   ARG   3          HB2       ARG   3   3.203 -12.875  -8.769
   25   2HB   ARG   3          HB1       ARG   3   3.583 -11.185  -9.102
   26   1HG   ARG   3          HG2       ARG   3   1.454 -11.207  -9.954
   27   2HG   ARG   3          HG1       ARG   3   2.299 -11.788 -11.389
   28   1HD   ARG   3          HD2       ARG   3   0.386 -13.241 -10.907
   29   2HD   ARG   3          HD1       ARG   3   1.891 -14.127 -10.655
   30    HE   ARG   3           HE       ARG   3   1.160 -12.982  -8.168
   31   1HH1  ARG   3          1HH1      ARG   3   1.478 -15.947  -9.331
   32   2HH1  ARG   3          2HH1      ARG   3   0.035 -16.636  -8.668
   33   1HH2  ARG   3          1HH2      ARG   3  -1.344 -13.577  -7.795
   34   2HH2  ARG   3          2HH2      ARG   3  -1.565 -15.295  -7.801
   35    HA   PRO   4           HA       PRO   4   7.730  -9.942 -10.653
   36   1HB   PRO   4          HB2       PRO   4   6.733  -7.396 -10.879
   37   2HB   PRO   4          HB1       PRO   4   6.988  -8.465 -12.269
   38   1HG   PRO   4          HG2       PRO   4   4.436  -7.683 -10.939
   39   2HG   PRO   4          HG1       PRO   4   4.720  -8.182 -12.616
   40   1HD   PRO   4          HD2       PRO   4   3.644  -9.806 -10.564
   41   2HD   PRO   4          HD1       PRO   4   4.240 -10.373 -12.138
   42    H    THR   5           H        THR   5   8.356  -7.778  -9.322
   43    HA   THR   5           HA       THR   5   7.044  -7.967  -6.641
   44    HB   THR   5           HB       THR   5   9.378  -7.204  -5.801
   45    HG1  THR   5           HG1      THR   5  10.914  -7.147  -7.223
   46   1HG2  THR   5          1HG2      THR   5   8.475  -9.872  -6.721
   47   2HG2  THR   5          2HG2      THR   5   8.997  -9.348  -5.120
   48   3HG2  THR   5          3HG2      THR   5  10.194  -9.727  -6.357
   49    H    PHE   6           H        PHE   6   6.666  -6.126  -9.027
   50    HA   PHE   6           HA       PHE   6   7.596  -3.544  -8.764
   51   1HB   PHE   6          HB2       PHE   6   5.534  -2.808  -9.822
   52   2HB   PHE   6          HB1       PHE   6   5.980  -4.371 -10.500
   53    HD1  PHE   6           HD1      PHE   6   4.928  -6.484  -9.294
   54    HD2  PHE   6           HD2      PHE   6   3.381  -2.491  -8.990
   55    HE1  PHE   6           HE1      PHE   6   2.773  -7.395  -8.553
   56    HE2  PHE   6           HE2      PHE   6   1.191  -3.408  -8.266
   57    HZ   PHE   6           HZ       PHE   6   0.884  -5.861  -8.045
   58    H    CYS   7           H        CYS   7   5.417  -5.208  -6.574
   59    HA   CYS   7           HA       CYS   7   4.139  -3.121  -5.176
   60   1HB   CYS   7          HB2       CYS   7   5.422  -5.519  -3.826
   61   2HB   CYS   7          HB1       CYS   7   4.035  -4.597  -3.259
   62    H    ASN   8           H        ASN   8   7.502  -4.143  -5.047
   63    HA   ASN   8           HA       ASN   8   8.200  -2.379  -2.803
   64   1HB   ASN   8          HB2       ASN   8   9.837  -4.040  -4.741
   65   2HB   ASN   8          HB1       ASN   8  10.564  -3.037  -3.486
   66   1HD2  ASN   8          1HD2      ASN   8  11.318  -4.660  -2.046
   67   2HD2  ASN   8          2HD2      ASN   8  10.303  -5.804  -1.309
   68    H    LEU   9           H        LEU   9   8.182  -2.306  -6.296
   69    HA   LEU   9           HA       LEU   9   9.913  -0.292  -7.057
   70   1HB   LEU   9          HB2       LEU   9   7.975  -1.661  -8.302
   71   2HB   LEU   9          HB1       LEU   9   7.130  -0.127  -8.116
   72    HG   LEU   9           HG       LEU   9   9.422   0.855  -9.032
   73   1HD1  LEU   9          1HD1      LEU   9  10.747  -1.077  -9.253
   74   2HD1  LEU   9          2HD1      LEU   9  10.130  -0.840 -10.889
   75   3HD1  LEU   9          3HD1      LEU   9   9.394  -2.049  -9.835
   76   1HD2  LEU   9          1HD2      LEU   9   8.376   0.221 -11.420
   77   2HD2  LEU   9          2HD2      LEU   9   7.590   1.376 -10.343
   78   3HD2  LEU   9          3HD2      LEU   9   7.029  -0.295 -10.403
   79    H    LEU  10           H        LEU  10   9.686   2.001  -7.353
   80    HA   LEU  10           HA       LEU  10   7.936   3.315  -5.324
   81   1HB   LEU  10          HB2       LEU  10  10.674   3.537  -5.747
   82   2HB   LEU  10          HB1       LEU  10  10.031   4.969  -6.549
   83    HG   LEU  10           HG       LEU  10   8.869   4.355  -3.887
   84   1HD1  LEU  10          1HD1      LEU  10  11.550   4.030  -3.994
   85   2HD1  LEU  10          2HD1      LEU  10  10.732   4.735  -2.600
   86   3HD1  LEU  10          3HD1      LEU  10  11.479   5.782  -3.807
   87   1HD2  LEU  10          1HD2      LEU  10   8.127   6.425  -4.469
   88   2HD2  LEU  10          2HD2      LEU  10   9.409   6.652  -5.658
   89   3HD2  LEU  10          3HD2      LEU  10   9.717   6.984  -3.954
   90    HA   PRO  11           HA       PRO  11   5.923   4.675  -9.164
   91   1HB   PRO  11          HB2       PRO  11   3.649   5.651  -7.968
   92   2HB   PRO  11          HB1       PRO  11   3.900   3.937  -8.345
   93   1HG   PRO  11          HG2       PRO  11   4.017   5.315  -5.704
   94   2HG   PRO  11          HG1       PRO  11   3.626   3.627  -6.072
   95   1HD   PRO  11          HD2       PRO  11   6.099   4.574  -5.084
   96   2HD   PRO  11          HD1       PRO  11   5.802   2.967  -5.780
   97    H    GLU  12           H        GLU  12   4.708   6.891  -9.665
   98    HA   GLU  12           HA       GLU  12   5.963   9.154  -8.185
   99   1HB   GLU  12          HB2       GLU  12   5.919   9.071 -11.210
  100   2HB   GLU  12          HB1       GLU  12   6.807  10.179 -10.166
  101   1HG   GLU  12          HG2       GLU  12   8.290   8.407  -9.440
  102   2HG   GLU  12          HG1       GLU  12   7.324   7.194 -10.285
  103    H    THR  13           H        THR  13   4.557  10.830  -7.907
  104    HA   THR  13           HA       THR  13   1.792  10.572  -8.717
  105    HB   THR  13           HB       THR  13   3.100  13.116  -7.736
  106    HG1  THR  13           HG1      THR  13   3.610  12.050  -6.022
  107   1HG2  THR  13          1HG2      THR  13   0.415  12.271  -8.265
  108   2HG2  THR  13          2HG2      THR  13   0.969  13.820  -7.632
  109   3HG2  THR  13          3HG2      THR  13   0.591  12.501  -6.526
  110    H    GLY  14           H        GLY  14   4.600  12.309  -9.925
  111   1HA   GLY  14          HA2       GLY  14   4.794  12.863 -12.296
  112   2HA   GLY  14          HA1       GLY  14   3.046  13.071 -12.352
  113    H    ARG  15           H        ARG  15   5.444  14.359 -10.052
  114    HA   ARG  15           HA       ARG  15   5.918  16.553  -9.382
  115   1HB   ARG  15          HB2       ARG  15   5.092  17.058 -12.257
  116   2HB   ARG  15          HB1       ARG  15   5.799  18.287 -11.212
  117   1HG   ARG  15          HG2       ARG  15   7.789  16.821 -10.885
  118   2HG   ARG  15          HG1       ARG  15   7.086  15.660 -12.012
  119   1HD   ARG  15          HD2       ARG  15   7.195  17.223 -13.829
  120   2HD   ARG  15          HD1       ARG  15   7.598  18.553 -12.744
  121    HE   ARG  15           HE       ARG  15   9.735  17.074 -12.289
  122   1HH1  ARG  15          1HH2      ARG  15   8.290  15.761 -14.905
  123   2HH1  ARG  15          2HH2      ARG  15   9.511  16.170 -16.064
  124   1HH2  ARG  15          1HH1      ARG  15  11.199  18.315 -13.928
  125   2HH2  ARG  15          2HH1      ARG  15  11.157  17.610 -15.509
  126    H    CYS  16           H        CYS  16   3.131  15.408  -9.120
  127    HA   CYS  16           HA       CYS  16   1.731  17.981  -8.618
  128   1HB   CYS  16          HB2       CYS  16   0.383  15.507  -9.739
  129   2HB   CYS  16          HB1       CYS  16  -0.347  17.089  -9.477
  130    H    ASN  17           H        ASN  17  -0.537  16.947  -7.501
  131    HA   ASN  17           HA       ASN  17  -0.372  14.792  -5.704
  132   1HB   ASN  17          HB2       ASN  17   1.144  17.168  -4.843
  133   2HB   ASN  17          HB1       ASN  17  -0.031  16.616  -3.650
  134   1HD2  ASN  17          1HD2      ASN  17   3.112  16.319  -4.088
  135   2HD2  ASN  17          2HD2      ASN  17   3.368  14.684  -3.710
  136    H    ALA  18           H        ALA  18  -2.429  14.489  -5.080
  137    HA   ALA  18           HA       ALA  18  -4.144  16.660  -4.152
  138   1HB   ALA  18          HB1       ALA  18  -5.877  15.784  -6.028
  139   2HB   ALA  18          HB2       ALA  18  -4.369  15.576  -6.917
  140   3HB   ALA  18          HB3       ALA  18  -4.813  17.165  -6.294
  141    H    LEU  19           H        LEU  19  -5.890  15.836  -2.961
  142    HA   LEU  19           HA       LEU  19  -5.690  13.276  -1.805
  143   1HB   LEU  19          HB2       LEU  19  -7.009  15.162  -0.858
  144   2HB   LEU  19          HB1       LEU  19  -8.216  14.927  -2.122
  145    HG   LEU  19           HG       LEU  19  -7.456  12.525  -0.531
  146   1HD1  LEU  19          1HD1      LEU  19  -8.633  14.991   0.622
  147   2HD1  LEU  19          2HD1      LEU  19  -7.773  13.673   1.420
  148   3HD1  LEU  19          3HD1      LEU  19  -9.479  13.491   1.007
  149   1HD2  LEU  19          1HD2      LEU  19  -9.123  12.085  -2.107
  150   2HD2  LEU  19          2HD2      LEU  19  -9.866  13.674  -1.914
  151   3HD2  LEU  19          3HD2      LEU  19 -10.091  12.438  -0.676
  152    H    ILE  20           H        ILE  20  -5.827  11.358  -2.858
  153    HA   ILE  20           HA       ILE  20  -8.227  10.694  -4.382
  154    HB   ILE  20           HB       ILE  20  -5.476  10.652  -5.689
  155   1HG1  ILE  20          2HG1      ILE  20  -8.060  12.108  -6.366
  156   2HG1  ILE  20          1HG1      ILE  20  -6.568  12.846  -5.794
  157   1HG2  ILE  20          1HG2      ILE  20  -6.709   8.598  -6.226
  158   2HG2  ILE  20          2HG2      ILE  20  -6.680   9.656  -7.636
  159   3HG2  ILE  20          3HG2      ILE  20  -8.137   9.543  -6.652
  160   1HD1  ILE  20          1HD1      ILE  20  -5.548  11.608  -7.918
  161   2HD1  ILE  20          2HD1      ILE  20  -6.315  13.189  -8.062
  162   3HD1  ILE  20          3HD1      ILE  20  -7.211  11.734  -8.491
  163    HA   PRO  21           HA       PRO  21  -7.056   7.163  -2.002
  164   1HB   PRO  21          HB2       PRO  21  -8.814   5.317  -3.050
  165   2HB   PRO  21          HB1       PRO  21  -9.256   6.544  -1.855
  166   1HG   PRO  21          HG2       PRO  21  -9.808   6.490  -4.794
  167   2HG   PRO  21          HG1       PRO  21 -10.760   7.214  -3.486
  168   1HD   PRO  21          HD2       PRO  21  -9.101   8.643  -5.218
  169   2HD   PRO  21          HD1       PRO  21  -9.646   9.223  -3.633
  170    H    ALA  22           H        ALA  22  -4.948   7.315  -3.302
  171    HA   ALA  22           HA       ALA  22  -4.715   5.163  -5.349
  172   1HB   ALA  22          HB1       ALA  22  -2.922   6.283  -6.179
  173   2HB   ALA  22          HB2       ALA  22  -2.286   6.653  -4.578
  174   3HB   ALA  22          HB3       ALA  22  -3.555   7.658  -5.276
  175    H    PHE  23           H        PHE  23  -3.928   3.245  -4.706
  176    HA   PHE  23           HA       PHE  23  -2.559   3.061  -2.047
  177   1HB   PHE  23          HB2       PHE  23  -4.908   1.494  -3.106
  178   2HB   PHE  23          HB1       PHE  23  -3.896   0.875  -1.822
  179    HD1  PHE  23           HD1      PHE  23  -5.642   4.190  -2.603
  180    HD2  PHE  23           HD2      PHE  23  -4.727   1.119   0.290
  181    HE1  PHE  23           HE1      PHE  23  -6.970   5.389  -0.916
  182    HE2  PHE  23           HE2      PHE  23  -6.075   2.340   1.978
  183    HZ   PHE  23           HZ       PHE  23  -7.196   4.470   1.377
  184    H    TYR  24           H        TYR  24  -1.038   1.421  -1.846
  185    HA   TYR  24           HA       TYR  24  -0.874  -0.718  -3.774
  186   1HB   TYR  24          HB2       TYR  24   1.284  -0.345  -4.715
  187   2HB   TYR  24          HB1       TYR  24   0.286   1.062  -5.042
  188    HD1  TYR  24           HD1      TYR  24   1.117   3.153  -4.631
  189    HD2  TYR  24           HD2      TYR  24   2.763  -0.208  -2.506
  190    HE1  TYR  24           HE1      TYR  24   2.901   4.610  -3.680
  191    HE2  TYR  24           HE2      TYR  24   4.530   1.232  -1.572
  192    HH   TYR  24           HH       TYR  24   5.434   4.046  -2.734
  193    H    TYR  25           H        TYR  25   1.162  -2.110  -3.271
  194    HA   TYR  25           HA       TYR  25   1.058  -2.515  -0.351
  195   1HB   TYR  25          HB2       TYR  25   0.564  -4.337  -1.961
  196   2HB   TYR  25          HB1       TYR  25   2.235  -4.272  -2.504
  197    HD1  TYR  25           HD1      TYR  25   0.067  -4.876   0.459
  198    HD2  TYR  25           HD2      TYR  25   3.963  -5.353  -1.282
  199    HE1  TYR  25           HE1      TYR  25   0.708  -6.398   2.306
  200    HE2  TYR  25           HE2      TYR  25   4.607  -6.871   0.571
  201    HH   TYR  25           HH       TYR  25   2.318  -8.185   2.735
  202    H    ASN  26           H        ASN  26   2.700  -2.441   0.984
  203    HA   ASN  26           HA       ASN  26   5.392  -1.628  -0.022
  204   1HB   ASN  26          HB2       ASN  26   3.728  -0.308   1.772
  205   2HB   ASN  26          HB1       ASN  26   4.825  -1.187   2.835
  206   1HD2  ASN  26          1HD2      ASN  26   4.676   1.785   2.162
  207   2HD2  ASN  26          2HD2      ASN  26   6.241   2.185   1.640
  208    H    SER  27           H        SER  27   6.928  -3.174   0.260
  209    HA   SER  27           HA       SER  27   6.404  -5.677   1.574
  210   1HB   SER  27          HB2       SER  27   8.510  -4.509  -0.021
  211   2HB   SER  27          HB1       SER  27   9.213  -5.346   1.361
  212    HG   SER  27           HG       SER  27   8.351  -7.207   0.685
  213    H    HIS  28           H        HIS  28   8.295  -2.814   2.506
  214    HA   HIS  28           HA       HIS  28   9.342  -3.799   4.965
  215   1HB   HIS  28          HB2       HIS  28   8.658  -1.010   4.013
  216   2HB   HIS  28          HB1       HIS  28   9.416  -1.317   5.576
  217    HD1  HIS  28           HD1      HIS  28  10.025  -2.072   1.886
  218    HD2  HIS  28           HD2      HIS  28  12.166  -1.608   5.433
  219    HE1  HIS  28           HE1      HIS  28  12.476  -2.186   1.263
  220    H    LEU  29           H        LEU  29   6.271  -2.249   4.161
  221    HA   LEU  29           HA       LEU  29   5.345  -2.191   6.941
  222   1HB   LEU  29          HB2       LEU  29   4.652  -0.506   5.184
  223   2HB   LEU  29          HB1       LEU  29   3.738  -1.793   4.399
  224    HG   LEU  29           HG       LEU  29   2.718  -2.098   6.831
  225   1HD1  LEU  29          1HD1      LEU  29   2.552  -0.005   8.047
  226   2HD1  LEU  29          2HD1      LEU  29   3.431   0.848   6.777
  227   3HD1  LEU  29          3HD1      LEU  29   4.261  -0.347   7.774
  228   1HD2  LEU  29          1HD2      LEU  29   0.867  -0.666   6.156
  229   2HD2  LEU  29          2HD2      LEU  29   1.513  -1.452   4.716
  230   3HD2  LEU  29          3HD2      LEU  29   1.914   0.232   5.057
  231    H    HIS  30           H        HIS  30   5.222  -4.376   4.241
  232    HA   HIS  30           HA       HIS  30   4.359  -6.539   4.030
  233   1HB   HIS  30          HB2       HIS  30   4.723  -6.115   6.916
  234   2HB   HIS  30          HB1       HIS  30   3.419  -7.249   6.565
  235    HD1  HIS  30           HD1      HIS  30   4.082  -9.557   5.690
  236    HD2  HIS  30           HD2      HIS  30   7.278  -6.883   5.823
  237    HE1  HIS  30           HE1      HIS  30   6.167 -10.912   5.193
  238    H    LYS  31           H        LYS  31   2.707  -4.042   3.895
  239    HA   LYS  31           HA       LYS  31   0.050  -5.299   3.808
  240   1HB   LYS  31          HB2       LYS  31   0.697  -2.995   5.668
  241   2HB   LYS  31          HB1       LYS  31  -0.944  -3.433   5.205
  242   1HG   LYS  31          HG2       LYS  31  -0.268  -5.823   5.996
  243   2HG   LYS  31          HG1       LYS  31   1.025  -4.985   6.854
  244   1HD   LYS  31          HD2       LYS  31  -0.927  -3.415   7.666
  245   2HD   LYS  31          HD1       LYS  31  -1.940  -4.802   7.263
  246   1HE   LYS  31          HE2       LYS  31  -1.370  -5.181   9.520
  247   2HE   LYS  31          HE1       LYS  31  -0.230  -6.187   8.631
  248   1HZ   LYS  31          HZ1       LYS  31   1.155  -3.948   8.720
  249   2HZ   LYS  31          HZ2       LYS  31   1.220  -5.101   9.964
  250   3HZ   LYS  31          HZ3       LYS  31   0.237  -3.727  10.130
  251    H    CYS  32           H        CYS  32  -1.489  -3.113   3.394
  252    HA   CYS  32           HA       CYS  32  -0.393  -2.022   0.874
  253   1HB   CYS  32          HB2       CYS  32  -2.752  -3.008   1.109
  254   2HB   CYS  32          HB1       CYS  32  -3.150  -1.551   2.010
  255    H    GLN  33           H        GLN  33  -0.596   0.288   0.437
  256    HA   GLN  33           HA       GLN  33  -0.796   2.058   2.801
  257   1HB   GLN  33          HB2       GLN  33   1.307   3.197   2.200
  258   2HB   GLN  33          HB1       GLN  33   1.610   1.501   2.558
  259   1HG   GLN  33          HG2       GLN  33   2.580   1.286   0.540
  260   2HG   GLN  33          HG1       GLN  33   1.019   1.613  -0.210
  261   1HE2  GLN  33          1HE2      GLN  33   4.114   3.054   0.695
  262   2HE2  GLN  33          2HE2      GLN  33   3.879   4.518  -0.132
  263    H    LYS  34           H        LYS  34  -1.684   4.033   2.259
  264    HA   LYS  34           HA       LYS  34  -2.615   4.300  -0.547
  265   1HB   LYS  34          HB2       LYS  34  -4.191   5.964   0.349
  266   2HB   LYS  34          HB1       LYS  34  -4.282   4.481   1.289
  267   1HG   LYS  34          HG2       LYS  34  -2.804   5.472   3.005
  268   2HG   LYS  34          HG1       LYS  34  -2.744   6.969   2.075
  269   1HD   LYS  34          HD2       LYS  34  -5.353   5.745   2.990
  270   2HD   LYS  34          HD1       LYS  34  -4.453   6.892   3.983
  271   1HE   LYS  34          HE2       LYS  34  -4.474   8.462   1.981
  272   2HE   LYS  34          HE1       LYS  34  -5.625   7.359   1.232
  273   1HZ   LYS  34          HZ1       LYS  34  -6.180   9.390   3.021
  274   2HZ   LYS  34          HZ2       LYS  34  -6.419   7.954   3.895
  275   3HZ   LYS  34          HZ3       LYS  34  -7.256   8.215   2.440
  276    H    PHE  35           H        PHE  35  -1.892   5.918  -1.861
  277    HA   PHE  35           HA       PHE  35  -0.120   7.979  -0.658
  278   1HB   PHE  35          HB2       PHE  35   1.409   7.814  -2.497
  279   2HB   PHE  35          HB1       PHE  35   1.127   6.177  -1.912
  280    HD1  PHE  35           HD1      PHE  35  -0.384   4.639  -3.176
  281    HD2  PHE  35           HD2      PHE  35   0.789   8.477  -4.705
  282    HE1  PHE  35           HE1      PHE  35  -1.043   3.937  -5.454
  283    HE2  PHE  35           HE2      PHE  35   0.126   7.772  -6.990
  284    HZ   PHE  35           HZ       PHE  35  -0.791   5.499  -7.364
  285    H    ASN  36           H        ASN  36   0.068   9.929  -2.142
  286    HA   ASN  36           HA       ASN  36  -2.666  10.697  -2.963
  287   1HB   ASN  36          HB2       ASN  36  -0.865  11.981  -1.443
  288   2HB   ASN  36          HB1       ASN  36  -0.419  12.633  -3.015
  289   1HD2  ASN  36          1HD2      ASN  36  -1.290  14.762  -2.630
  290   2HD2  ASN  36          2HD2      ASN  36  -2.955  15.045  -2.469
  291    H    TYR  37           H        TYR  37  -3.228  11.325  -5.001
  292    HA   TYR  37           HA       TYR  37  -1.158  11.549  -7.121
  293   1HB   TYR  37          HB2       TYR  37  -1.910   9.179  -7.118
  294   2HB   TYR  37          HB1       TYR  37  -3.578   9.719  -7.305
  295    HD1  TYR  37           HD1      TYR  37  -4.436   9.688  -9.456
  296    HD2  TYR  37           HD2      TYR  37  -0.232  10.377  -8.900
  297    HE1  TYR  37           HE1      TYR  37  -4.131   9.807 -11.913
  298    HE2  TYR  37           HE2      TYR  37   0.072  10.498 -11.360
  299    HH   TYR  37           HH       TYR  37  -2.315   9.486 -13.555
  300    H    GLY  38           H        GLY  38  -2.101  12.543  -9.112
  301   1HA   GLY  38          HA2       GLY  38  -4.621  14.072  -8.601
  302   2HA   GLY  38          HA1       GLY  38  -3.182  14.893  -9.201
  303    H    GLY  39           H        GLY  39  -2.190  13.465 -11.158
  304   1HA   GLY  39          HA2       GLY  39  -3.410  11.928 -12.988
  305   2HA   GLY  39          HA1       GLY  39  -4.321  13.422 -13.212
  306    H    CYS  40           H        CYS  40  -0.866  12.787 -12.581
  307    HA   CYS  40           HA       CYS  40  -0.210  14.324 -15.065
  308   1HB   CYS  40          HB2       CYS  40   1.436  14.218 -12.524
  309   2HB   CYS  40          HB1       CYS  40   1.733  15.230 -13.936
  310    H    GLY  41           H        GLY  41   1.092  11.935 -12.753
  311   1HA   GLY  41          HA2       GLY  41   2.486  10.587 -15.039
  312   2HA   GLY  41          HA1       GLY  41   3.130  10.609 -13.396
  313    H    GLY  42           H        GLY  42   3.035   8.474 -12.790
  314   1HA   GLY  42          HA2       GLY  42   1.244   7.039 -11.593
  315   2HA   GLY  42          HA1       GLY  42   0.455   7.011 -13.168
  316    H    ASN  43           H        ASN  43   2.634   5.412 -11.173
  317    HA   ASN  43           HA       ASN  43   4.015   4.017 -13.413
  318   1HB   ASN  43          HB2       ASN  43   4.492   4.119 -10.427
  319   2HB   ASN  43          HB1       ASN  43   5.349   3.000 -11.488
  320   1HD2  ASN  43          1HD2      ASN  43   7.412   3.888 -11.746
  321   2HD2  ASN  43          2HD2      ASN  43   7.720   5.501 -12.178
  322    H    ALA  44           H        ALA  44   4.447   1.530 -12.405
  323    HA   ALA  44           HA       ALA  44   1.966   0.158 -12.821
  324   1HB   ALA  44          HB1       ALA  44   4.573  -0.816 -11.614
  325   2HB   ALA  44          HB2       ALA  44   4.111  -0.906 -13.314
  326   3HB   ALA  44          HB3       ALA  44   3.245  -1.863 -12.113
  327    H    ASN  45           H        ASN  45   3.849   0.835  -9.874
  328    HA   ASN  45           HA       ASN  45   1.984  -0.480  -8.081
  329   1HB   ASN  45          HB2       ASN  45   4.557   0.777  -7.901
  330   2HB   ASN  45          HB1       ASN  45   3.508   1.510  -6.691
  331   1HD2  ASN  45          1HD2      ASN  45   4.219   0.455  -4.796
  332   2HD2  ASN  45          2HD2      ASN  45   4.197  -1.229  -4.586
  333    H    ASN  46           H        ASN  46  -0.093   0.370  -8.359
  334    HA   ASN  46           HA       ASN  46  -0.810   2.702  -6.911
  335   1HB   ASN  46          HB2       ASN  46  -1.510   4.190  -8.767
  336   2HB   ASN  46          HB1       ASN  46   0.234   3.941  -8.746
  337   1HD2  ASN  46          1HD2      ASN  46  -1.876   4.437 -11.022
  338   2HD2  ASN  46          2HD2      ASN  46  -1.476   3.258 -12.175
  339    H    PHE  47           H        PHE  47  -2.712   1.977  -6.157
  340    HA   PHE  47           HA       PHE  47  -4.632   0.741  -8.115
  341   1HB   PHE  47          HB2       PHE  47  -4.486   0.144  -5.151
  342   2HB   PHE  47          HB1       PHE  47  -5.459  -0.690  -6.360
  343    HD1  PHE  47           HD1      PHE  47  -2.672  -1.072  -4.429
  344    HD2  PHE  47           HD2      PHE  47  -3.856  -1.340  -8.545
  345    HE1  PHE  47           HE1      PHE  47  -0.783  -2.623  -4.874
  346    HE2  PHE  47           HE2      PHE  47  -1.967  -2.886  -8.994
  347    HZ   PHE  47           HZ       PHE  47  -0.431  -3.525  -7.155
  348    H    LYS  48           H        LYS  48  -6.868   0.688  -6.442
  349    HA   LYS  48           HA       LYS  48  -7.435   3.600  -6.109
  350   1HB   LYS  48          HB2       LYS  48  -9.006   1.294  -7.137
  351   2HB   LYS  48          HB1       LYS  48  -9.894   2.486  -6.187
  352   1HG   LYS  48          HG2       LYS  48  -9.511   4.194  -7.709
  353   2HG   LYS  48          HG1       LYS  48  -8.027   3.459  -8.319
  354   1HD   LYS  48          HD2       LYS  48 -10.618   2.011  -8.729
  355   2HD   LYS  48          HD1       LYS  48 -10.246   3.389  -9.765
  356   1HE   LYS  48          HE2       LYS  48  -9.188   1.776 -11.006
  357   2HE   LYS  48          HE1       LYS  48  -7.875   2.109  -9.877
  358   1HZ   LYS  48          HZ1       LYS  48  -9.926   0.121  -9.180
  359   2HZ   LYS  48          HZ2       LYS  48  -8.309   0.224  -8.668
  360   3HZ   LYS  48          HZ3       LYS  48  -8.673  -0.310 -10.238
  361    H    THR  49           H        THR  49  -7.337   0.527  -4.438
  362    HA   THR  49           HA       THR  49  -7.787   1.825  -1.885
  363    HB   THR  49           HB       THR  49  -9.700   0.072  -1.399
  364    HG1  THR  49           HG1      THR  49 -10.030   0.574  -4.166
  365   1HG2  THR  49          1HG2      THR  49  -9.679   2.715  -1.620
  366   2HG2  THR  49          2HG2      THR  49 -11.196   1.823  -1.498
  367   3HG2  THR  49          3HG2      THR  49 -10.617   2.367  -3.073
  368    H    ILE  50           H        ILE  50  -8.150  -0.169  -0.233
  369    HA   ILE  50           HA       ILE  50  -5.721  -1.717  -0.353
  370    HB   ILE  50           HB       ILE  50  -6.560  -2.699   1.775
  371   1HG1  ILE  50          2HG1      ILE  50  -8.926  -0.846   1.477
  372   2HG1  ILE  50          1HG1      ILE  50  -9.010  -2.534   0.969
  373   1HG2  ILE  50          1HG2      ILE  50  -5.330  -0.574   1.798
  374   2HG2  ILE  50          2HG2      ILE  50  -6.591  -0.562   3.030
  375   3HG2  ILE  50          3HG2      ILE  50  -6.830   0.310   1.516
  376   1HD1  ILE  50          1HD1      ILE  50  -9.729  -1.920   3.406
  377   2HD1  ILE  50          2HD1      ILE  50  -7.994  -1.832   3.714
  378   3HD1  ILE  50          3HD1      ILE  50  -8.714  -3.341   3.151
  379    H    ASP  51           H        ASP  51  -9.036  -2.315  -1.287
  380    HA   ASP  51           HA       ASP  51  -9.093  -5.165  -1.158
  381   1HB   ASP  51          HB2       ASP  51 -10.520  -3.156  -2.909
  382   2HB   ASP  51          HB1       ASP  51 -10.803  -4.891  -3.064
  383    H    GLU  52           H        GLU  52  -8.866  -3.306  -4.187
  384    HA   GLU  52           HA       GLU  52  -7.775  -5.380  -5.780
  385   1HB   GLU  52          HB2       GLU  52  -8.505  -2.699  -6.146
  386   2HB   GLU  52          HB1       GLU  52  -6.789  -2.733  -6.550
  387   1HG   GLU  52          HG2       GLU  52  -7.732  -3.304  -8.596
  388   2HG   GLU  52          HG1       GLU  52  -7.468  -4.902  -7.897
  389    H    CYS  53           H        CYS  53  -6.256  -3.173  -3.551
  390    HA   CYS  53           HA       CYS  53  -3.514  -3.575  -4.385
  391   1HB   CYS  53          HB2       CYS  53  -4.118  -1.571  -3.203
  392   2HB   CYS  53          HB1       CYS  53  -4.847  -2.492  -1.900
  393    H    GLN  54           H        GLN  54  -5.726  -5.242  -2.226
  394    HA   GLN  54           HA       GLN  54  -3.619  -6.787  -0.886
  395   1HB   GLN  54          HB2       GLN  54  -5.867  -6.066   0.129
  396   2HB   GLN  54          HB1       GLN  54  -6.582  -7.365  -0.827
  397   1HG   GLN  54          HG2       GLN  54  -5.375  -9.038   0.320
  398   2HG   GLN  54          HG1       GLN  54  -4.213  -7.878   0.968
  399   1HE2  GLN  54          1HE2      GLN  54  -5.212  -6.190   2.529
  400   2HE2  GLN  54          2HE2      GLN  54  -6.460  -6.722   3.548
  401    H    ARG  55           H        ARG  55  -5.957  -7.298  -3.491
  402    HA   ARG  55           HA       ARG  55  -5.417 -10.164  -3.709
  403   1HB   ARG  55          HB2       ARG  55  -6.970  -8.191  -5.390
  404   2HB   ARG  55          HB1       ARG  55  -6.781  -9.880  -5.855
  405   1HG   ARG  55          HG2       ARG  55  -7.611 -10.378  -3.425
  406   2HG   ARG  55          HG1       ARG  55  -8.227  -8.727  -3.485
  407   1HD   ARG  55          HD2       ARG  55  -8.826 -10.821  -5.591
  408   2HD   ARG  55          HD1       ARG  55  -9.891 -10.468  -4.230
  409    HE   ARG  55           HE       ARG  55  -9.674  -8.005  -5.272
  410   1HH1  ARG  55          1HH2      ARG  55 -11.231 -10.781  -6.226
  411   2HH1  ARG  55          2HH2      ARG  55 -11.511 -10.294  -7.865
  412   1HH2  ARG  55          1HH1      ARG  55  -9.491  -7.482  -7.652
  413   2HH2  ARG  55          2HH1      ARG  55 -10.529  -8.424  -8.670
  414    H    THR  56           H        THR  56  -4.070  -7.257  -5.093
  415    HA   THR  56           HA       THR  56  -2.779  -8.742  -7.295
  416    HB   THR  56           HB       THR  56  -3.656  -6.506  -7.789
  417    HG1  THR  56           HG1      THR  56  -1.911  -7.095  -8.994
  418   1HG2  THR  56          1HG2      THR  56  -2.995  -5.706  -5.354
  419   2HG2  THR  56          2HG2      THR  56  -3.025  -4.569  -6.695
  420   3HG2  THR  56          3HG2      THR  56  -1.492  -5.247  -6.150
  421    H    CYS  57           H        CYS  57  -1.668  -6.831  -4.452
  422    HA   CYS  57           HA       CYS  57   1.066  -7.917  -4.858
  423   1HB   CYS  57          HB2       CYS  57  -0.099  -5.660  -3.267
  424   2HB   CYS  57          HB1       CYS  57   1.450  -6.343  -2.779
  425    H    ALA  58           H        ALA  58  -1.597  -7.966  -2.516
  426    HA   ALA  58           HA       ALA  58  -0.062  -9.715  -0.691
  427   1HB   ALA  58          HB1       ALA  58  -2.897  -9.295  -0.063
  428   2HB   ALA  58          HB2       ALA  58  -2.006  -7.788  -0.275
  429   3HB   ALA  58          HB3       ALA  58  -1.469  -8.970   0.916
  430    H    ALA  59           H        ALA  59  -2.026 -11.365   0.298
  431    HA   ALA  59           HA       ALA  59  -2.155 -13.439  -1.728
  432   1HB   ALA  59          HB1       ALA  59  -3.854 -13.808   0.646
  433   2HB   ALA  59          HB2       ALA  59  -2.183 -13.398   1.033
  434   3HB   ALA  59          HB3       ALA  59  -2.535 -14.810   0.038
  435    H    LYS  60           H        LYS  60  -4.522 -14.653  -1.612
  436    HA   LYS  60           HA       LYS  60  -6.416 -12.655  -2.761
  437   1HB   LYS  60          HB2       LYS  60  -6.176 -15.660  -3.064
  438   2HB   LYS  60          HB1       LYS  60  -7.538 -14.733  -3.693
  439   1HG   LYS  60          HG2       LYS  60  -5.770 -13.266  -4.864
  440   2HG   LYS  60          HG1       LYS  60  -4.633 -14.563  -4.501
  441   1HD   LYS  60          HD2       LYS  60  -7.048 -15.699  -5.605
  442   2HD   LYS  60          HD1       LYS  60  -6.466 -14.420  -6.668
  443   1HE   LYS  60          HE2       LYS  60  -4.423 -15.491  -7.057
  444   2HE   LYS  60          HE1       LYS  60  -4.530 -16.447  -5.579
  445   1HZ   LYS  60          HZ1       LYS  60  -6.542 -16.807  -7.691
  446   2HZ   LYS  60          HZ2       LYS  60  -6.003 -17.912  -6.519
  447   3HZ   LYS  60          HZ3       LYS  60  -5.022 -17.541  -7.856
  448    H    TYR  61           H        TYR  61  -8.476 -12.424  -1.931
  449    HA   TYR  61           HA       TYR  61  -9.163 -14.036   0.499
  450   1HB   TYR  61          HB2       TYR  61  -9.141 -11.126   0.016
  451   2HB   TYR  61          HB1       TYR  61 -10.641 -11.715   0.733
  452    HD1  TYR  61           HD1      TYR  61  -6.994 -12.568   1.100
  453    HD2  TYR  61           HD2      TYR  61 -10.677 -11.520   3.046
  454    HE1  TYR  61           HE1      TYR  61  -5.875 -12.737   3.307
  455    HE2  TYR  61           HE2      TYR  61  -9.560 -11.689   5.253
  456    HH   TYR  61           HH       TYR  61  -6.257 -12.881   5.578
  457    H    GLY  62           H        GLY  62 -11.646 -13.926   0.887
  458   1HA   GLY  62          HA2       GLY  62 -12.972 -15.036  -1.435
  459   2HA   GLY  62          HA1       GLY  62 -13.729 -14.709   0.124
  460    H    ARG  63           H        ARG  63 -13.557 -13.744  -3.095
  461    HA   ARG  63           HA       ARG  63 -15.326 -11.439  -2.587
  462   1HB   ARG  63          HB2       ARG  63 -12.963 -10.544  -2.585
  463   2HB   ARG  63          HB1       ARG  63 -12.812 -11.102  -4.250
  464   1HG   ARG  63          HG2       ARG  63 -13.858  -9.255  -5.002
  465   2HG   ARG  63          HG1       ARG  63 -15.264  -9.610  -4.000
  466   1HD   ARG  63          HD2       ARG  63 -14.245  -8.471  -2.096
  467   2HD   ARG  63          HD1       ARG  63 -12.761  -8.207  -3.013
  468    HE   ARG  63           HE       ARG  63 -15.258  -6.694  -3.297
  469   1HH1  ARG  63          1HH1      ARG  63 -12.009  -6.441  -3.635
  470   2HH1  ARG  63          2HH1      ARG  63 -12.015  -5.647  -5.174
  471   1HH2  ARG  63          1HH2      ARG  63 -15.390  -6.201  -5.744
  472   2HH2  ARG  63          2HH2      ARG  63 -13.927  -5.516  -6.371
  473    H    SER  64           H        SER  64 -16.967 -12.509  -3.699
  474    HA   SER  64           HA       SER  64 -16.670 -12.641  -6.639
  475   1HB   SER  64          HB2       SER  64 -16.995 -14.994  -4.852
  476   2HB   SER  64          HB1       SER  64 -18.007 -14.965  -6.292
  477    HG   SER  64           HG       SER  64 -15.478 -15.630  -6.129
  478    H    SER  65           H        SER  65 -19.026 -13.803  -4.204
  479    HA   SER  65           HA       SER  65 -21.293 -12.785  -5.705
  480   1HB   SER  65          HB2       SER  65 -22.509 -13.353  -3.499
  481   2HB   SER  65          HB1       SER  65 -21.748 -14.684  -4.367
  482    HG   SER  65           HG       SER  65 -21.058 -13.461  -1.965
  Start of MODEL    2
    1   1H    LYS   1          HT1       LYS   1  10.896 -16.874 -16.999
    2   2H    LYS   1          HT2       LYS   1  10.325 -17.071 -15.411
    3   3H    LYS   1          HT3       LYS   1  11.856 -16.386 -15.689
    4    HA   LYS   1           HA       LYS   1  10.563 -14.609 -17.008
    5   1HB   LYS   1          HB2       LYS   1   8.433 -16.005 -16.766
    6   2HB   LYS   1          HB1       LYS   1   8.424 -15.517 -15.073
    7   1HG   LYS   1          HG2       LYS   1   7.233 -13.730 -15.827
    8   2HG   LYS   1          HG1       LYS   1   8.810 -13.105 -16.310
    9   1HD   LYS   1          HD2       LYS   1   7.353 -12.958 -18.230
   10   2HD   LYS   1          HD1       LYS   1   8.498 -14.264 -18.531
   11   1HE   LYS   1          HE2       LYS   1   6.721 -15.598 -18.915
   12   2HE   LYS   1          HE1       LYS   1   6.368 -15.501 -17.191
   13   1HZ   LYS   1          HZ1       LYS   1   5.188 -14.006 -19.421
   14   2HZ   LYS   1          HZ2       LYS   1   5.269 -13.260 -17.897
   15   3HZ   LYS   1          HZ3       LYS   1   4.430 -14.725 -18.086
   16    H    ASN   2           H        ASN   2  11.803 -13.079 -16.047
   17    HA   ASN   2           HA       ASN   2  12.545 -13.007 -13.287
   18   1HB   ASN   2          HB2       ASN   2  12.796 -11.234 -15.639
   19   2HB   ASN   2          HB1       ASN   2  12.775 -10.389 -14.091
   20   1HD2  ASN   2          1HD2      ASN   2  14.212 -11.826 -12.357
   21   2HD2  ASN   2          2HD2      ASN   2  15.759 -12.205 -12.940
   22    H    ARG   3           H        ARG   3  11.562 -12.077 -11.524
   23    HA   ARG   3           HA       ARG   3   8.759 -11.277 -11.774
   24   1HB   ARG   3          HB2       ARG   3   8.875 -11.067  -9.286
   25   2HB   ARG   3          HB1       ARG   3   9.418 -12.641  -9.864
   26   1HG   ARG   3          HG2       ARG   3  11.719 -10.993  -9.873
   27   2HG   ARG   3          HG1       ARG   3  10.889 -10.644  -8.359
   28   1HD   ARG   3          HD2       ARG   3  10.671 -13.273  -8.224
   29   2HD   ARG   3          HD1       ARG   3  12.046 -13.236  -9.328
   30    HE   ARG   3           HE       ARG   3  13.145 -11.752  -7.522
   31   1HH1  ARG   3          1HH1      ARG   3  12.626 -14.840  -7.062
   32   2HH1  ARG   3          2HH1      ARG   3  12.262 -14.807  -5.369
   33   1HH2  ARG   3          1HH2      ARG   3  11.835 -11.367  -5.260
   34   2HH2  ARG   3          2HH2      ARG   3  11.811 -12.839  -4.349
   35    HA   PRO   4           HA       PRO   4   9.655  -6.915 -11.909
   36   1HB   PRO   4          HB2       PRO   4   7.164  -5.961 -11.274
   37   2HB   PRO   4          HB1       PRO   4   7.573  -6.622 -12.867
   38   1HG   PRO   4          HG2       PRO   4   5.957  -7.846 -10.679
   39   2HG   PRO   4          HG1       PRO   4   5.882  -8.137 -12.426
   40   1HD   PRO   4          HD2       PRO   4   7.132  -9.814 -10.516
   41   2HD   PRO   4          HD1       PRO   4   7.321  -9.913 -12.280
   42    H    THR   5           H        THR   5   7.611  -8.007  -9.215
   43    HA   THR   5           HA       THR   5   7.591  -7.494  -6.944
   44    HB   THR   5           HB       THR   5  10.326  -6.285  -7.053
   45    HG1  THR   5           HG1      THR   5   9.702  -8.983  -7.637
   46   1HG2  THR   5          1HG2      THR   5  10.591  -7.646  -5.023
   47   2HG2  THR   5          2HG2      THR   5   9.014  -8.381  -5.309
   48   3HG2  THR   5          3HG2      THR   5   9.128  -6.664  -4.930
   49    H    PHE   6           H        PHE   6   7.066  -5.424  -9.146
   50    HA   PHE   6           HA       PHE   6   7.745  -2.834  -8.655
   51   1HB   PHE   6          HB2       PHE   6   5.532  -2.197  -9.509
   52   2HB   PHE   6          HB1       PHE   6   6.158  -3.579 -10.408
   53    HD1  PHE   6           HD1      PHE   6   5.389  -5.947  -9.666
   54    HD2  PHE   6           HD2      PHE   6   3.476  -2.319  -8.397
   55    HE1  PHE   6           HE1      PHE   6   3.410  -7.245  -8.982
   56    HE2  PHE   6           HE2      PHE   6   1.469  -3.622  -7.727
   57    HZ   PHE   6           HZ       PHE   6   1.437  -6.086  -8.021
   58    H    CYS   7           H        CYS   7   5.691  -4.818  -6.579
   59    HA   CYS   7           HA       CYS   7   4.391  -2.894  -4.971
   60   1HB   CYS   7          HB2       CYS   7   5.569  -5.601  -4.308
   61   2HB   CYS   7          HB1       CYS   7   4.760  -4.626  -3.087
   62    H    ASN   8           H        ASN   8   7.760  -3.867  -4.999
   63    HA   ASN   8           HA       ASN   8   8.459  -2.229  -2.640
   64   1HB   ASN   8          HB2       ASN   8   9.910  -4.097  -4.490
   65   2HB   ASN   8          HB1       ASN   8  10.849  -2.896  -3.604
   66   1HD2  ASN   8          1HD2      ASN   8   7.952  -4.808  -2.612
   67   2HD2  ASN   8          2HD2      ASN   8   8.690  -5.489  -1.242
   68    H    LEU   9           H        LEU   9   8.639  -2.202  -6.143
   69    HA   LEU   9           HA       LEU   9  10.311   0.028  -6.642
   70   1HB   LEU   9          HB2       LEU   9   9.516  -1.521  -8.383
   71   2HB   LEU   9          HB1       LEU   9   7.865  -0.983  -8.119
   72    HG   LEU   9           HG       LEU   9   9.157   1.399  -8.622
   73   1HD1  LEU   9          1HD1      LEU   9  10.149  -0.361 -10.817
   74   2HD1  LEU   9          2HD1      LEU   9  11.080  -0.349  -9.320
   75   3HD1  LEU   9          3HD1      LEU   9  10.817   1.154 -10.206
   76   1HD2  LEU   9          1HD2      LEU   9   8.027  -0.326 -10.828
   77   2HD2  LEU   9          2HD2      LEU   9   7.836   1.412 -10.590
   78   3HD2  LEU   9          3HD2      LEU   9   6.988   0.275  -9.537
   79    H    LEU  10           H        LEU  10  10.019   2.155  -6.112
   80    HA   LEU  10           HA       LEU  10   7.503   3.068  -4.959
   81   1HB   LEU  10          HB2       LEU  10   9.831   3.841  -4.250
   82   2HB   LEU  10          HB1       LEU  10   9.858   4.801  -5.730
   83    HG   LEU  10           HG       LEU  10   7.551   5.694  -4.926
   84   1HD1  LEU  10          1HD1      LEU  10   8.647   4.325  -2.476
   85   2HD1  LEU  10          2HD1      LEU  10   7.006   4.294  -3.120
   86   3HD1  LEU  10          3HD1      LEU  10   7.610   5.743  -2.318
   87   1HD2  LEU  10          1HD2      LEU  10   8.779   7.542  -4.523
   88   2HD2  LEU  10          2HD2      LEU  10  10.232   6.542  -4.523
   89   3HD2  LEU  10          3HD2      LEU  10   9.381   6.861  -3.012
   90    HA   PRO  11           HA       PRO  11   5.991   4.399  -8.973
   91   1HB   PRO  11          HB2       PRO  11   3.622   5.485  -8.111
   92   2HB   PRO  11          HB1       PRO  11   3.886   3.743  -8.298
   93   1HG   PRO  11          HG2       PRO  11   3.729   5.354  -5.799
   94   2HG   PRO  11          HG1       PRO  11   3.385   3.635  -6.050
   95   1HD   PRO  11          HD2       PRO  11   5.748   4.723  -4.915
   96   2HD   PRO  11          HD1       PRO  11   5.504   3.039  -5.425
   97    H    GLU  12           H        GLU  12   4.631   6.637  -9.572
   98    HA   GLU  12           HA       GLU  12   5.930   8.958  -8.242
   99   1HB   GLU  12          HB2       GLU  12   6.320   8.064 -11.064
  100   2HB   GLU  12          HB1       GLU  12   6.152   9.796 -10.775
  101   1HG   GLU  12          HG2       GLU  12   7.883   9.205  -8.799
  102   2HG   GLU  12          HG1       GLU  12   8.327   7.941  -9.947
  103    H    THR  13           H        THR  13   4.633  10.765  -8.212
  104    HA   THR  13           HA       THR  13   1.818  10.481  -8.696
  105    HB   THR  13           HB       THR  13   2.057  13.148  -8.499
  106    HG1  THR  13           HG1      THR  13   4.262  13.252  -8.573
  107   1HG2  THR  13          1HG2      THR  13   1.065  11.394  -6.908
  108   2HG2  THR  13          2HG2      THR  13   1.659  12.889  -6.182
  109   3HG2  THR  13          3HG2      THR  13   2.633  11.420  -6.099
  110    H    GLY  14           H        GLY  14   4.407  12.121 -10.490
  111   1HA   GLY  14          HA2       GLY  14   4.474  12.349 -12.878
  112   2HA   GLY  14          HA1       GLY  14   2.742  12.019 -12.939
  113    H    ARG  15           H        ARG  15   4.649  14.416 -11.096
  114    HA   ARG  15           HA       ARG  15   4.420  16.743 -10.899
  115   1HB   ARG  15          HB2       ARG  15   3.631  16.277 -13.779
  116   2HB   ARG  15          HB1       ARG  15   3.707  17.894 -13.081
  117   1HG   ARG  15          HG2       ARG  15   6.004  17.845 -12.861
  118   2HG   ARG  15          HG1       ARG  15   6.057  16.090 -12.682
  119   1HD   ARG  15          HD2       ARG  15   5.201  16.079 -15.160
  120   2HD   ARG  15          HD1       ARG  15   5.824  17.728 -15.193
  121    HE   ARG  15           HE       ARG  15   7.715  15.724 -14.176
  122   1HH1  ARG  15          1HH1      ARG  15   6.656  15.399 -17.127
  123   2HH1  ARG  15          2HH1      ARG  15   7.972  16.132 -17.979
  124   1HH2  ARG  15          1HH2      ARG  15   9.342  17.584 -15.143
  125   2HH2  ARG  15          2HH2      ARG  15   9.491  17.379 -16.856
  126    H    CYS  16           H        CYS  16   2.031  14.890 -10.369
  127    HA   CYS  16           HA       CYS  16   0.020  17.055 -10.156
  128   1HB   CYS  16          HB2       CYS  16  -0.638  14.320 -11.286
  129   2HB   CYS  16          HB1       CYS  16  -1.775  15.636 -10.994
  130    H    ASN  17           H        ASN  17  -0.683  17.085  -8.136
  131    HA   ASN  17           HA       ASN  17  -0.848  14.541  -6.579
  132   1HB   ASN  17          HB2       ASN  17   0.156  17.200  -5.517
  133   2HB   ASN  17          HB1       ASN  17   0.008  15.702  -4.600
  134   1HD2  ASN  17          1HD2      ASN  17   1.986  14.670  -4.392
  135   2HD2  ASN  17          2HD2      ASN  17   3.221  14.670  -5.557
  136    H    ALA  18           H        ALA  18  -2.632  14.363  -5.284
  137    HA   ALA  18           HA       ALA  18  -4.267  16.514  -4.344
  138   1HB   ALA  18          HB1       ALA  18  -6.290  15.938  -5.812
  139   2HB   ALA  18          HB2       ALA  18  -5.150  15.140  -6.895
  140   3HB   ALA  18          HB3       ALA  18  -5.010  16.871  -6.590
  141    H    LEU  19           H        LEU  19  -5.798  15.701  -2.874
  142    HA   LEU  19           HA       LEU  19  -5.398  13.126  -1.772
  143   1HB   LEU  19          HB2       LEU  19  -6.729  15.311  -0.936
  144   2HB   LEU  19          HB1       LEU  19  -8.100  14.337  -1.468
  145    HG   LEU  19           HG       LEU  19  -5.998  12.994   0.175
  146   1HD1  LEU  19          1HD1      LEU  19  -6.275  14.979   1.491
  147   2HD1  LEU  19          2HD1      LEU  19  -7.283  13.743   2.241
  148   3HD1  LEU  19          3HD1      LEU  19  -8.020  14.987   1.230
  149   1HD2  LEU  19          1HD2      LEU  19  -9.002  12.833  -0.156
  150   2HD2  LEU  19          2HD2      LEU  19  -8.142  11.952   1.106
  151   3HD2  LEU  19          3HD2      LEU  19  -7.799  11.622  -0.592
  152    H    ILE  20           H        ILE  20  -5.712  11.261  -2.865
  153    HA   ILE  20           HA       ILE  20  -8.357  10.651  -3.968
  154    HB   ILE  20           HB       ILE  20  -5.843  10.433  -5.668
  155   1HG1  ILE  20          2HG1      ILE  20  -8.243  12.294  -5.841
  156   2HG1  ILE  20          1HG1      ILE  20  -6.574  12.761  -5.523
  157   1HG2  ILE  20          1HG2      ILE  20  -7.623   8.640  -5.936
  158   2HG2  ILE  20          2HG2      ILE  20  -7.298   9.577  -7.394
  159   3HG2  ILE  20          3HG2      ILE  20  -8.735   9.918  -6.430
  160   1HD1  ILE  20          1HD1      ILE  20  -6.255  11.415  -7.864
  161   2HD1  ILE  20          2HD1      ILE  20  -6.533  13.155  -7.775
  162   3HD1  ILE  20          3HD1      ILE  20  -7.881  12.061  -8.091
  163    HA   PRO  21           HA       PRO  21  -7.042   7.038  -1.846
  164   1HB   PRO  21          HB2       PRO  21  -8.778   5.176  -2.914
  165   2HB   PRO  21          HB1       PRO  21  -9.205   6.327  -1.639
  166   1HG   PRO  21          HG2       PRO  21  -9.867   6.414  -4.557
  167   2HG   PRO  21          HG1       PRO  21 -10.799   7.020  -3.176
  168   1HD   PRO  21          HD2       PRO  21  -9.299   8.628  -4.862
  169   2HD   PRO  21          HD1       PRO  21  -9.739   9.071  -3.203
  170    H    ALA  22           H        ALA  22  -4.975   7.258  -3.138
  171    HA   ALA  22           HA       ALA  22  -4.713   5.199  -5.283
  172   1HB   ALA  22          HB1       ALA  22  -2.303   6.686  -4.490
  173   2HB   ALA  22          HB2       ALA  22  -3.600   7.730  -5.063
  174   3HB   ALA  22          HB3       ALA  22  -2.989   6.435  -6.092
  175    H    PHE  23           H        PHE  23  -3.867   3.253  -4.677
  176    HA   PHE  23           HA       PHE  23  -2.480   3.062  -2.020
  177   1HB   PHE  23          HB2       PHE  23  -4.812   1.464  -3.067
  178   2HB   PHE  23          HB1       PHE  23  -3.787   0.863  -1.788
  179    HD1  PHE  23           HD1      PHE  23  -5.638   4.108  -2.586
  180    HD2  PHE  23           HD2      PHE  23  -4.567   1.125   0.343
  181    HE1  PHE  23           HE1      PHE  23  -7.004   5.279  -0.904
  182    HE2  PHE  23           HE2      PHE  23  -5.958   2.313   2.024
  183    HZ   PHE  23           HZ       PHE  23  -7.178   4.381   1.401
  184    H    TYR  24           H        TYR  24  -0.908   1.462  -1.846
  185    HA   TYR  24           HA       TYR  24  -0.725  -0.672  -3.816
  186   1HB   TYR  24          HB2       TYR  24   1.495  -0.223  -4.656
  187   2HB   TYR  24          HB1       TYR  24   0.434   1.128  -5.035
  188    HD1  TYR  24           HD1      TYR  24   0.983   3.277  -4.404
  189    HD2  TYR  24           HD2      TYR  24   2.945  -0.045  -2.528
  190    HE1  TYR  24           HE1      TYR  24   2.570   4.839  -3.286
  191    HE2  TYR  24           HE2      TYR  24   4.534   1.492  -1.429
  192    HH   TYR  24           HH       TYR  24   5.101   4.519  -2.338
  193    H    TYR  25           H        TYR  25   1.472  -1.948  -3.322
  194    HA   TYR  25           HA       TYR  25   1.250  -2.573  -0.451
  195   1HB   TYR  25          HB2       TYR  25   1.221  -4.287  -2.304
  196   2HB   TYR  25          HB1       TYR  25   2.935  -3.964  -2.533
  197    HD1  TYR  25           HD1      TYR  25   0.442  -4.967   0.089
  198    HD2  TYR  25           HD2      TYR  25   4.528  -5.080  -1.226
  199    HE1  TYR  25           HE1      TYR  25   0.986  -6.585   1.891
  200    HE2  TYR  25           HE2      TYR  25   5.070  -6.687   0.572
  201    HH   TYR  25           HH       TYR  25   3.300  -8.530   1.961
  202    H    ASN  26           H        ASN  26   2.661  -2.111   1.028
  203    HA   ASN  26           HA       ASN  26   5.284  -0.876   0.307
  204   1HB   ASN  26          HB2       ASN  26   3.369  -0.544   2.600
  205   2HB   ASN  26          HB1       ASN  26   5.080  -0.212   2.859
  206   1HD2  ASN  26          1HD2      ASN  26   5.476   1.980   2.621
  207   2HD2  ASN  26          2HD2      ASN  26   4.750   2.986   1.464
  208    H    SER  27           H        SER  27   7.157  -1.830   1.067
  209    HA   SER  27           HA       SER  27   6.965  -4.523   2.226
  210   1HB   SER  27          HB2       SER  27   9.457  -4.490   1.990
  211   2HB   SER  27          HB1       SER  27   8.620  -4.137   0.481
  212    HG   SER  27           HG       SER  27   9.607  -2.190   2.302
  213    H    HIS  28           H        HIS  28   7.559  -1.284   3.355
  214    HA   HIS  28           HA       HIS  28   9.091  -1.817   5.699
  215   1HB   HIS  28          HB2       HIS  28   8.025   0.431   4.476
  216   2HB   HIS  28          HB1       HIS  28   7.115   0.345   5.983
  217    HD1  HIS  28           HD1      HIS  28  10.782  -0.425   5.224
  218    HD2  HIS  28           HD2      HIS  28   8.484   1.957   7.759
  219    HE1  HIS  28           HE1      HIS  28  12.408   0.753   6.768
  220    H    LEU  29           H        LEU  29   5.678  -2.225   5.016
  221    HA   LEU  29           HA       LEU  29   5.280  -3.174   7.823
  222   1HB   LEU  29          HB2       LEU  29   2.868  -2.435   7.535
  223   2HB   LEU  29          HB1       LEU  29   4.044  -1.123   7.622
  224    HG   LEU  29           HG       LEU  29   3.499  -2.191   4.905
  225   1HD1  LEU  29          1HD1      LEU  29   1.254  -2.026   6.233
  226   2HD1  LEU  29          2HD1      LEU  29   1.358  -1.267   4.644
  227   3HD1  LEU  29          3HD1      LEU  29   1.502  -0.284   6.102
  228   1HD2  LEU  29          1HD2      LEU  29   3.335   0.442   4.659
  229   2HD2  LEU  29          2HD2      LEU  29   4.903  -0.336   4.881
  230   3HD2  LEU  29          3HD2      LEU  29   4.093   0.423   6.251
  231    H    HIS  30           H        HIS  30   5.387  -4.159   4.632
  232    HA   HIS  30           HA       HIS  30   4.724  -6.133   3.562
  233   1HB   HIS  30          HB2       HIS  30   4.936  -6.724   6.405
  234   2HB   HIS  30          HB1       HIS  30   3.668  -7.705   5.669
  235    HD1  HIS  30           HD1      HIS  30   4.399  -9.563   4.065
  236    HD2  HIS  30           HD2      HIS  30   7.537  -7.084   5.242
  237    HE1  HIS  30           HE1      HIS  30   6.525 -10.655   3.220
  238    H    LYS  31           H        LYS  31   2.844  -3.915   3.967
  239    HA   LYS  31           HA       LYS  31   0.319  -5.385   3.445
  240   1HB   LYS  31          HB2       LYS  31   0.846  -4.021   5.894
  241   2HB   LYS  31          HB1       LYS  31  -0.315  -3.045   4.997
  242   1HG   LYS  31          HG2       LYS  31  -1.818  -4.481   5.957
  243   2HG   LYS  31          HG1       LYS  31  -1.378  -5.498   4.585
  244   1HD   LYS  31          HD2       LYS  31   0.543  -6.341   6.146
  245   2HD   LYS  31          HD1       LYS  31  -0.453  -5.680   7.441
  246   1HE   LYS  31          HE2       LYS  31  -2.122  -7.241   7.147
  247   2HE   LYS  31          HE1       LYS  31  -1.807  -7.410   5.420
  248   1HZ   LYS  31          HZ1       LYS  31  -0.181  -8.504   7.647
  249   2HZ   LYS  31          HZ2       LYS  31   0.286  -8.554   6.014
  250   3HZ   LYS  31          HZ3       LYS  31  -1.102  -9.386   6.529
  251    H    CYS  32           H        CYS  32  -1.336  -3.211   3.196
  252    HA   CYS  32           HA       CYS  32  -0.219  -1.909   0.773
  253   1HB   CYS  32          HB2       CYS  32  -2.560  -3.037   0.921
  254   2HB   CYS  32          HB1       CYS  32  -3.038  -1.583   1.788
  255    H    GLN  33           H        GLN  33  -0.509   0.377   0.457
  256    HA   GLN  33           HA       GLN  33  -0.971   2.043   2.869
  257   1HB   GLN  33          HB2       GLN  33   1.496   1.645   2.746
  258   2HB   GLN  33          HB1       GLN  33   1.490   2.317   1.116
  259   1HG   GLN  33          HG2       GLN  33   0.393   4.398   2.167
  260   2HG   GLN  33          HG1       GLN  33   0.902   3.730   3.718
  261   1HE2  GLN  33          1HE2      GLN  33   3.085   4.023   4.316
  262   2HE2  GLN  33          2HE2      GLN  33   4.265   4.691   3.295
  263    H    LYS  34           H        LYS  34  -1.748   4.116   2.307
  264    HA   LYS  34           HA       LYS  34  -2.618   4.314  -0.517
  265   1HB   LYS  34          HB2       LYS  34  -4.276   5.915   0.281
  266   2HB   LYS  34          HB1       LYS  34  -4.299   4.512   1.337
  267   1HG   LYS  34          HG2       LYS  34  -2.955   5.673   3.004
  268   2HG   LYS  34          HG1       LYS  34  -2.804   7.069   1.940
  269   1HD   LYS  34          HD2       LYS  34  -4.556   7.667   3.410
  270   2HD   LYS  34          HD1       LYS  34  -5.386   7.125   1.950
  271   1HE   LYS  34          HE2       LYS  34  -6.554   5.811   3.403
  272   2HE   LYS  34          HE1       LYS  34  -5.142   4.763   3.289
  273   1HZ   LYS  34          HZ1       LYS  34  -5.025   6.940   5.235
  274   2HZ   LYS  34          HZ2       LYS  34  -4.414   5.358   5.331
  275   3HZ   LYS  34          HZ3       LYS  34  -6.068   5.648   5.592
  276    H    PHE  35           H        PHE  35  -1.910   5.962  -1.839
  277    HA   PHE  35           HA       PHE  35  -0.118   8.000  -0.629
  278   1HB   PHE  35          HB2       PHE  35   1.369   7.864  -2.523
  279   2HB   PHE  35          HB1       PHE  35   1.131   6.233  -1.901
  280    HD1  PHE  35           HD1      PHE  35  -0.409   4.662  -3.078
  281    HD2  PHE  35           HD2      PHE  35   0.694   8.465  -4.740
  282    HE1  PHE  35           HE1      PHE  35  -1.131   3.893  -5.317
  283    HE2  PHE  35           HE2      PHE  35  -0.031   7.696  -6.983
  284    HZ   PHE  35           HZ       PHE  35  -0.940   5.407  -7.273
  285    H    ASN  36           H        ASN  36   0.182   9.864  -2.281
  286    HA   ASN  36           HA       ASN  36  -2.521  10.862  -2.919
  287   1HB   ASN  36          HB2       ASN  36  -0.465  12.033  -1.672
  288   2HB   ASN  36          HB1       ASN  36  -0.071  12.495  -3.325
  289   1HD2  ASN  36          1HD2      ASN  36  -2.954  12.428  -1.150
  290   2HD2  ASN  36          2HD2      ASN  36  -3.577  13.907  -1.703
  291    H    TYR  37           H        TYR  37  -3.280  11.113  -4.951
  292    HA   TYR  37           HA       TYR  37  -1.378  11.190  -7.240
  293   1HB   TYR  37          HB2       TYR  37  -2.120   8.816  -6.936
  294   2HB   TYR  37          HB1       TYR  37  -3.789   9.348  -7.136
  295    HD1  TYR  37           HD1      TYR  37  -0.558  10.163  -8.875
  296    HD2  TYR  37           HD2      TYR  37  -4.613   8.796  -9.240
  297    HE1  TYR  37           HE1      TYR  37  -0.301  10.063 -11.336
  298    HE2  TYR  37           HE2      TYR  37  -4.358   8.694 -11.703
  299    HH   TYR  37           HH       TYR  37  -2.571   8.495 -13.358
  300    H    GLY  38           H        GLY  38  -2.315  12.166  -9.134
  301   1HA   GLY  38          HA2       GLY  38  -4.737  13.819  -8.549
  302   2HA   GLY  38          HA1       GLY  38  -3.427  14.331  -9.614
  303    H    GLY  39           H        GLY  39  -3.012  12.614 -11.447
  304   1HA   GLY  39          HA2       GLY  39  -4.565  10.777 -12.604
  305   2HA   GLY  39          HA1       GLY  39  -5.612  12.181 -12.806
  306    H    CYS  40           H        CYS  40  -2.079  11.747 -13.084
  307    HA   CYS  40           HA       CYS  40  -2.241  12.865 -15.855
  308   1HB   CYS  40          HB2       CYS  40  -0.090  13.262 -13.759
  309   2HB   CYS  40          HB1       CYS  40   0.008  13.844 -15.421
  310    H    GLY  41           H        GLY  41  -0.039  11.040 -13.720
  311   1HA   GLY  41          HA2       GLY  41   0.141   8.761 -15.475
  312   2HA   GLY  41          HA1       GLY  41   1.550   9.804 -15.676
  313    H    GLY  42           H        GLY  42   1.842   7.218 -14.676
  314   1HA   GLY  42          HA2       GLY  42   3.312   7.665 -12.257
  315   2HA   GLY  42          HA1       GLY  42   1.778   6.887 -11.868
  316    H    ASN  43           H        ASN  43   4.167   5.576 -11.372
  317    HA   ASN  43           HA       ASN  43   4.978   3.800 -13.506
  318   1HB   ASN  43          HB2       ASN  43   5.284   3.403 -10.513
  319   2HB   ASN  43          HB1       ASN  43   6.252   2.654 -11.781
  320   1HD2  ASN  43          1HD2      ASN  43   8.132   3.758 -12.381
  321   2HD2  ASN  43          2HD2      ASN  43   8.464   5.378 -12.001
  322    H    ALA  44           H        ALA  44   4.828   1.284 -11.891
  323    HA   ALA  44           HA       ALA  44   2.103   0.496 -12.680
  324   1HB   ALA  44          HB1       ALA  44   3.906  -1.433 -11.312
  325   2HB   ALA  44          HB2       ALA  44   4.462  -0.802 -12.862
  326   3HB   ALA  44          HB3       ALA  44   2.916  -1.644 -12.757
  327    H    ASN  45           H        ASN  45   4.037   0.739  -9.700
  328    HA   ASN  45           HA       ASN  45   2.132  -0.435  -7.920
  329   1HB   ASN  45          HB2       ASN  45   4.674   0.810  -7.705
  330   2HB   ASN  45          HB1       ASN  45   3.606   1.682  -6.611
  331   1HD2  ASN  45          1HD2      ASN  45   4.884   0.669  -4.818
  332   2HD2  ASN  45          2HD2      ASN  45   4.545  -0.925  -4.347
  333    H    ASN  46           H        ASN  46   0.034   0.313  -8.139
  334    HA   ASN  46           HA       ASN  46  -0.766   2.663  -6.786
  335   1HB   ASN  46          HB2       ASN  46  -1.562   4.037  -8.732
  336   2HB   ASN  46          HB1       ASN  46   0.193   3.950  -8.593
  337   1HD2  ASN  46          1HD2      ASN  46   1.362   2.942 -10.307
  338   2HD2  ASN  46          2HD2      ASN  46   0.617   2.285 -11.683
  339    H    PHE  47           H        PHE  47  -2.741   2.157  -6.112
  340    HA   PHE  47           HA       PHE  47  -4.601   0.717  -7.978
  341   1HB   PHE  47          HB2       PHE  47  -4.398   0.253  -4.990
  342   2HB   PHE  47          HB1       PHE  47  -5.413  -0.628  -6.128
  343    HD1  PHE  47           HD1      PHE  47  -2.725  -1.138  -4.201
  344    HD2  PHE  47           HD2      PHE  47  -3.715  -1.219  -8.380
  345    HE1  PHE  47           HE1      PHE  47  -0.874  -2.745  -4.614
  346    HE2  PHE  47           HE2      PHE  47  -1.860  -2.813  -8.793
  347    HZ   PHE  47           HZ       PHE  47  -0.437  -3.573  -6.911
  348    H    LYS  48           H        LYS  48  -6.840   0.716  -6.336
  349    HA   LYS  48           HA       LYS  48  -7.396   3.634  -6.002
  350   1HB   LYS  48          HB2       LYS  48  -8.661   1.899  -7.682
  351   2HB   LYS  48          HB1       LYS  48  -9.676   1.757  -6.247
  352   1HG   LYS  48          HG2       LYS  48 -10.565   3.811  -6.555
  353   2HG   LYS  48          HG1       LYS  48  -8.981   4.542  -6.811
  354   1HD   LYS  48          HD2       LYS  48 -10.237   2.850  -8.962
  355   2HD   LYS  48          HD1       LYS  48 -10.692   4.543  -8.784
  356   1HE   LYS  48          HE2       LYS  48  -7.811   4.282  -8.662
  357   2HE   LYS  48          HE1       LYS  48  -8.428   3.520 -10.128
  358   1HZ   LYS  48          HZ1       LYS  48  -9.344   6.199  -9.287
  359   2HZ   LYS  48          HZ2       LYS  48  -9.421   5.485 -10.827
  360   3HZ   LYS  48          HZ3       LYS  48  -7.929   6.000 -10.201
  361    H    THR  49           H        THR  49  -7.011   0.731  -4.265
  362    HA   THR  49           HA       THR  49  -7.546   1.843  -1.740
  363    HB   THR  49           HB       THR  49  -9.611   0.101  -1.415
  364    HG1  THR  49           HG1      THR  49  -9.686  -0.254  -3.695
  365   1HG2  THR  49          1HG2      THR  49  -9.219   2.881  -1.352
  366   2HG2  THR  49          2HG2      THR  49 -10.590   1.989  -0.693
  367   3HG2  THR  49          3HG2      THR  49 -10.666   2.638  -2.331
  368    H    ILE  50           H        ILE  50  -7.849  -0.077  -0.103
  369    HA   ILE  50           HA       ILE  50  -5.626  -1.857  -0.445
  370    HB   ILE  50           HB       ILE  50  -7.876  -2.130   1.555
  371   1HG1  ILE  50          2HG1      ILE  50  -5.430  -0.804   2.479
  372   2HG1  ILE  50          1HG1      ILE  50  -6.222   0.107   1.197
  373   1HG2  ILE  50          1HG2      ILE  50  -6.617  -4.004   1.937
  374   2HG2  ILE  50          2HG2      ILE  50  -5.617  -2.864   2.837
  375   3HG2  ILE  50          3HG2      ILE  50  -5.177  -3.313   1.189
  376   1HD1  ILE  50          1HD1      ILE  50  -7.063  -0.315   3.969
  377   2HD1  ILE  50          2HD1      ILE  50  -8.343  -0.666   2.811
  378   3HD1  ILE  50          3HD1      ILE  50  -7.572   0.920   2.818
  379    H    ASP  51           H        ASP  51  -8.924  -2.113  -1.463
  380    HA   ASP  51           HA       ASP  51  -9.294  -4.947  -1.343
  381   1HB   ASP  51          HB2       ASP  51 -10.425  -2.845  -3.212
  382   2HB   ASP  51          HB1       ASP  51 -10.946  -4.530  -3.222
  383    H    GLU  52           H        GLU  52  -8.746  -3.110  -4.361
  384    HA   GLU  52           HA       GLU  52  -7.792  -5.304  -5.894
  385   1HB   GLU  52          HB2       GLU  52  -7.056  -2.368  -6.149
  386   2HB   GLU  52          HB1       GLU  52  -6.823  -3.592  -7.397
  387   1HG   GLU  52          HG2       GLU  52  -9.206  -3.958  -7.579
  388   2HG   GLU  52          HG1       GLU  52  -9.518  -2.920  -6.186
  389    H    CYS  53           H        CYS  53  -6.198  -3.185  -3.628
  390    HA   CYS  53           HA       CYS  53  -3.460  -3.750  -4.196
  391   1HB   CYS  53          HB2       CYS  53  -4.533  -1.946  -2.700
  392   2HB   CYS  53          HB1       CYS  53  -4.625  -3.201  -1.470
  393    H    GLN  54           H        GLN  54  -5.771  -5.209  -1.915
  394    HA   GLN  54           HA       GLN  54  -3.970  -7.120  -0.784
  395   1HB   GLN  54          HB2       GLN  54  -6.243  -6.378   0.111
  396   2HB   GLN  54          HB1       GLN  54  -6.957  -7.484  -1.063
  397   1HG   GLN  54          HG2       GLN  54  -6.232  -9.358   0.054
  398   2HG   GLN  54          HG1       GLN  54  -4.773  -8.567   0.652
  399   1HE2  GLN  54          1HE2      GLN  54  -8.333  -8.650   1.147
  400   2HE2  GLN  54          2HE2      GLN  54  -8.271  -8.178   2.776
  401    H    ARG  55           H        ARG  55  -6.226  -7.350  -3.523
  402    HA   ARG  55           HA       ARG  55  -5.833 -10.163  -4.000
  403   1HB   ARG  55          HB2       ARG  55  -7.680  -8.426  -4.808
  404   2HB   ARG  55          HB1       ARG  55  -6.626  -8.335  -6.219
  405   1HG   ARG  55          HG2       ARG  55  -6.678 -10.906  -6.215
  406   2HG   ARG  55          HG1       ARG  55  -8.031 -10.760  -5.093
  407   1HD   ARG  55          HD2       ARG  55  -8.753  -8.972  -7.048
  408   2HD   ARG  55          HD1       ARG  55  -7.928 -10.213  -7.991
  409    HE   ARG  55           HE       ARG  55 -10.407 -10.598  -6.415
  410   1HH1  ARG  55          1HH1      ARG  55  -9.797 -11.250  -9.385
  411   2HH1  ARG  55          2HH1      ARG  55  -9.762 -12.980  -9.318
  412   1HH2  ARG  55          1HH2      ARG  55  -9.521 -13.107  -5.860
  413   2HH2  ARG  55          2HH2      ARG  55  -9.605 -14.032  -7.322
  414    H    THR  56           H        THR  56  -4.238  -7.276  -5.330
  415    HA   THR  56           HA       THR  56  -2.799  -8.841  -7.332
  416    HB   THR  56           HB       THR  56  -3.453  -6.553  -7.856
  417    HG1  THR  56           HG1      THR  56  -1.467  -7.484  -8.681
  418   1HG2  THR  56          1HG2      THR  56  -2.917  -5.882  -5.318
  419   2HG2  THR  56          2HG2      THR  56  -2.901  -4.705  -6.623
  420   3HG2  THR  56          3HG2      THR  56  -1.387  -5.403  -6.049
  421    H    CYS  57           H        CYS  57  -1.685  -7.060  -4.380
  422    HA   CYS  57           HA       CYS  57   0.955  -8.366  -4.701
  423   1HB   CYS  57          HB2       CYS  57   0.464  -5.842  -4.074
  424   2HB   CYS  57          HB1       CYS  57   0.366  -6.501  -2.441
  425    H    ALA  58           H        ALA  58  -1.691  -8.229  -2.287
  426    HA   ALA  58           HA       ALA  58  -0.324  -9.923  -0.379
  427   1HB   ALA  58          HB1       ALA  58  -2.553  -8.362  -0.246
  428   2HB   ALA  58          HB2       ALA  58  -2.142  -9.592   0.946
  429   3HB   ALA  58          HB3       ALA  58  -3.280  -9.967  -0.345
  430    H    ALA  59           H        ALA  59  -1.661 -12.029   0.323
  431    HA   ALA  59           HA       ALA  59  -2.034 -13.688  -2.143
  432   1HB   ALA  59          HB1       ALA  59  -0.803 -15.419  -1.208
  433   2HB   ALA  59          HB2       ALA  59  -1.145 -14.908   0.445
  434   3HB   ALA  59          HB3       ALA  59   0.040 -14.028  -0.522
  435    H    LYS  60           H        LYS  60  -4.034 -14.510  -2.316
  436    HA   LYS  60           HA       LYS  60  -5.572 -15.187   0.149
  437   1HB   LYS  60          HB2       LYS  60  -6.355 -12.982  -0.751
  438   2HB   LYS  60          HB1       LYS  60  -6.743 -13.783  -2.275
  439   1HG   LYS  60          HG2       LYS  60  -8.799 -13.891  -1.195
  440   2HG   LYS  60          HG1       LYS  60  -8.090 -15.431  -0.713
  441   1HD   LYS  60          HD2       LYS  60  -8.923 -14.473   1.298
  442   2HD   LYS  60          HD1       LYS  60  -7.183 -14.195   1.341
  443   1HE   LYS  60          HE2       LYS  60  -7.838 -11.945   0.107
  444   2HE   LYS  60          HE1       LYS  60  -9.401 -12.240   0.867
  445   1HZ   LYS  60          HZ1       LYS  60  -8.554 -11.971   2.944
  446   2HZ   LYS  60          HZ2       LYS  60  -7.503 -10.935   2.101
  447   3HZ   LYS  60          HZ3       LYS  60  -6.998 -12.502   2.520
  448    H    TYR  61           H        TYR  61  -6.739 -17.086  -0.034
  449    HA   TYR  61           HA       TYR  61  -6.890 -18.395  -2.711
  450   1HB   TYR  61          HB2       TYR  61  -5.711 -19.500  -0.168
  451   2HB   TYR  61          HB1       TYR  61  -6.387 -20.577  -1.392
  452    HD1  TYR  61           HD1      TYR  61  -5.552 -20.300  -3.821
  453    HD2  TYR  61           HD2      TYR  61  -3.531 -18.642  -0.411
  454    HE1  TYR  61           HE1      TYR  61  -3.471 -20.095  -5.154
  455    HE2  TYR  61           HE2      TYR  61  -1.451 -18.437  -1.746
  456    HH   TYR  61           HH       TYR  61  -1.338 -18.528  -5.000
  457    H    GLY  62           H        GLY  62  -8.691 -19.753  -2.980
  458   1HA   GLY  62          HA2       GLY  62 -10.673 -20.923  -2.261
  459   2HA   GLY  62          HA1       GLY  62 -10.577 -20.088  -0.712
  460    H    ARG  63           H        ARG  63 -12.901 -19.636  -1.124
  461    HA   ARG  63           HA       ARG  63 -14.582 -18.064  -1.575
  462   1HB   ARG  63          HB2       ARG  63 -12.589 -16.429  -1.222
  463   2HB   ARG  63          HB1       ARG  63 -12.557 -16.327  -2.982
  464   1HG   ARG  63          HG2       ARG  63 -14.013 -14.585  -2.448
  465   2HG   ARG  63          HG1       ARG  63 -15.141 -15.912  -2.723
  466   1HD   ARG  63          HD2       ARG  63 -14.505 -16.223  -0.052
  467   2HD   ARG  63          HD1       ARG  63 -14.521 -14.469  -0.239
  468    HE   ARG  63           HE       ARG  63 -16.838 -16.028  -1.263
  469   1HH1  ARG  63          1HH1      ARG  63 -16.284 -15.418   1.804
  470   2HH1  ARG  63          2HH1      ARG  63 -17.409 -14.120   2.024
  471   1HH2  ARG  63          1HH2      ARG  63 -17.921 -13.632  -1.369
  472   2HH2  ARG  63          2HH2      ARG  63 -18.331 -13.105   0.229
  473    H    SER  64           H        SER  64 -12.316 -17.802  -4.334
  474    HA   SER  64           HA       SER  64 -14.468 -18.865  -6.115
  475   1HB   SER  64          HB2       SER  64 -13.495 -16.226  -6.101
  476   2HB   SER  64          HB1       SER  64 -12.704 -16.992  -7.476
  477    HG   SER  64           HG       SER  64 -14.650 -16.313  -8.222
  478    H    SER  65           H        SER  65 -13.575 -20.893  -6.424
  479    HA   SER  65           HA       SER  65 -10.711 -21.086  -7.234
  480   1HB   SER  65          HB2       SER  65 -12.680 -23.233  -6.393
  481   2HB   SER  65          HB1       SER  65 -10.995 -23.517  -6.819
  482    HG   SER  65           HG       SER  65 -10.411 -22.153  -5.090
  Start of MODEL    3
    1   1H    LYS   1          HT1       LYS   1   1.770 -12.573 -17.936
    2   2H    LYS   1          HT2       LYS   1   3.161 -11.665 -17.584
    3   3H    LYS   1          HT3       LYS   1   1.737 -10.884 -18.079
    4    HA   LYS   1           HA       LYS   1   2.144 -10.696 -15.667
    5   1HB   LYS   1          HB2       LYS   1  -0.150 -10.612 -16.665
    6   2HB   LYS   1          HB1       LYS   1  -0.286 -12.353 -16.416
    7   1HG   LYS   1          HG2       LYS   1  -0.465 -12.155 -14.126
    8   2HG   LYS   1          HG1       LYS   1   0.517 -10.691 -14.071
    9   1HD   LYS   1          HD2       LYS   1  -1.593  -9.816 -13.643
   10   2HD   LYS   1          HD1       LYS   1  -1.511  -9.645 -15.396
   11   1HE   LYS   1          HE2       LYS   1  -3.095 -11.247 -15.756
   12   2HE   LYS   1          HE1       LYS   1  -2.518 -12.257 -14.430
   13   1HZ   LYS   1          HZ1       LYS   1  -4.259  -9.867 -14.276
   14   2HZ   LYS   1          HZ2       LYS   1  -3.479 -10.517 -12.913
   15   3HZ   LYS   1          HZ3       LYS   1  -4.608 -11.450 -13.774
   16    H    ASN   2           H        ASN   2   3.387 -11.758 -14.226
   17    HA   ASN   2           HA       ASN   2   2.795 -14.604 -13.622
   18   1HB   ASN   2          HB2       ASN   2   5.237 -15.119 -13.585
   19   2HB   ASN   2          HB1       ASN   2   4.664 -14.695 -15.197
   20   1HD2  ASN   2          1HD2      ASN   2   6.095 -13.313 -16.231
   21   2HD2  ASN   2          2HD2      ASN   2   7.024 -12.113 -15.469
   22    H    ARG   3           H        ARG   3   2.259 -12.052 -12.276
   23    HA   ARG   3           HA       ARG   3   2.296 -11.182 -10.106
   24   1HB   ARG   3          HB2       ARG   3   2.397 -13.900  -9.794
   25   2HB   ARG   3          HB1       ARG   3   3.870 -13.410  -8.959
   26   1HG   ARG   3          HG2       ARG   3   2.684 -12.024  -7.444
   27   2HG   ARG   3          HG1       ARG   3   1.234 -12.034  -8.447
   28   1HD   ARG   3          HD2       ARG   3   1.599 -14.717  -7.967
   29   2HD   ARG   3          HD1       ARG   3   2.146 -13.998  -6.452
   30    HE   ARG   3           HE       ARG   3  -0.100 -12.837  -6.375
   31   1HH1  ARG   3          1HH1      ARG   3   0.259 -16.071  -6.947
   32   2HH1  ARG   3          2HH1      ARG   3  -1.322 -16.337  -7.603
   33   1HH2  ARG   3          1HH2      ARG   3  -2.086 -12.961  -7.831
   34   2HH2  ARG   3          2HH2      ARG   3  -2.653 -14.576  -8.098
   35    HA   PRO   4           HA       PRO   4   6.638  -9.772 -10.690
   36   1HB   PRO   4          HB2       PRO   4   6.020  -7.095 -10.690
   37   2HB   PRO   4          HB1       PRO   4   5.996  -8.106 -12.146
   38   1HG   PRO   4          HG2       PRO   4   3.714  -7.027 -10.570
   39   2HG   PRO   4          HG1       PRO   4   3.776  -7.499 -12.277
   40   1HD   PRO   4          HD2       PRO   4   2.659  -9.023 -10.162
   41   2HD   PRO   4          HD1       PRO   4   2.993  -9.598 -11.809
   42    H    THR   5           H        THR   5   7.770  -7.883  -9.339
   43    HA   THR   5           HA       THR   5   6.817  -8.129  -6.517
   44    HB   THR   5           HB       THR   5   9.169  -7.822  -5.851
   45    HG1  THR   5           HG1      THR   5   9.631  -7.764  -8.649
   46   1HG2  THR   5          1HG2      THR   5   8.907  -9.919  -8.020
   47   2HG2  THR   5          2HG2      THR   5   8.277 -10.096  -6.382
   48   3HG2  THR   5          3HG2      THR   5  10.015  -9.955  -6.648
   49    H    PHE   6           H        PHE   6   6.482  -5.986  -8.844
   50    HA   PHE   6           HA       PHE   6   7.546  -3.527  -8.369
   51   1HB   PHE   6          HB2       PHE   6   5.507  -2.560  -9.221
   52   2HB   PHE   6          HB1       PHE   6   5.736  -4.110 -10.023
   53    HD1  PHE   6           HD1      PHE   6   4.675  -6.169  -8.433
   54    HD2  PHE   6           HD2      PHE   6   3.311  -2.104  -8.647
   55    HE1  PHE   6           HE1      PHE   6   2.480  -6.881  -7.620
   56    HE2  PHE   6           HE2      PHE   6   1.084  -2.819  -7.834
   57    HZ   PHE   6           HZ       PHE   6   0.663  -5.210  -7.314
   58    H    CYS   7           H        CYS   7   5.355  -5.192  -6.150
   59    HA   CYS   7           HA       CYS   7   4.407  -3.141  -4.491
   60   1HB   CYS   7          HB2       CYS   7   5.512  -5.844  -3.651
   61   2HB   CYS   7          HB1       CYS   7   4.490  -4.814  -2.649
   62    H    ASN   8           H        ASN   8   7.672  -4.386  -4.781
   63    HA   ASN   8           HA       ASN   8   8.678  -2.803  -2.490
   64   1HB   ASN   8          HB2       ASN   8  10.196  -4.422  -4.570
   65   2HB   ASN   8          HB1       ASN   8  10.860  -3.768  -3.075
   66   1HD2  ASN   8          1HD2      ASN   8  11.343  -5.799  -2.064
   67   2HD2  ASN   8          2HD2      ASN   8  10.141  -6.912  -1.616
   68    H    LEU   9           H        LEU   9   8.601  -2.830  -5.996
   69    HA   LEU   9           HA       LEU   9  10.386  -0.722  -6.634
   70   1HB   LEU   9          HB2       LEU   9   9.345  -2.267  -8.271
   71   2HB   LEU   9          HB1       LEU   9   7.779  -1.522  -7.970
   72    HG   LEU   9           HG       LEU   9   9.977   0.332  -8.714
   73   1HD1  LEU   9          1HD1      LEU   9   8.906  -1.844 -10.499
   74   2HD1  LEU   9          2HD1      LEU   9  10.558  -1.240 -10.355
   75   3HD1  LEU   9          3HD1      LEU   9   9.338  -0.278 -11.189
   76   1HD2  LEU   9          1HD2      LEU   9   7.289   0.162 -10.030
   77   2HD2  LEU   9          2HD2      LEU   9   8.218   1.589  -9.564
   78   3HD2  LEU   9          3HD2      LEU   9   7.353   0.662  -8.339
   79    H    LEU  10           H        LEU  10  10.196   1.491  -6.465
   80    HA   LEU  10           HA       LEU  10   7.876   2.574  -5.016
   81   1HB   LEU  10          HB2       LEU  10  10.592   3.607  -5.773
   82   2HB   LEU  10          HB1       LEU  10   9.334   4.740  -5.273
   83    HG   LEU  10           HG       LEU  10   9.824   2.295  -3.608
   84   1HD1  LEU  10          1HD1      LEU  10  11.970   3.847  -4.235
   85   2HD1  LEU  10          2HD1      LEU  10  11.775   3.035  -2.683
   86   3HD1  LEU  10          3HD1      LEU  10  11.331   4.734  -2.850
   87   1HD2  LEU  10          1HD2      LEU  10   7.923   3.838  -3.162
   88   2HD2  LEU  10          2HD2      LEU  10   9.070   5.161  -2.951
   89   3HD2  LEU  10          3HD2      LEU  10   9.073   3.803  -1.825
   90    HA   PRO  11           HA       PRO  11   6.116   3.970  -8.924
   91   1HB   PRO  11          HB2       PRO  11   3.885   5.174  -7.865
   92   2HB   PRO  11          HB1       PRO  11   4.041   3.424  -8.081
   93   1HG   PRO  11          HG2       PRO  11   4.174   5.024  -5.573
   94   2HG   PRO  11          HG1       PRO  11   3.717   3.328  -5.799
   95   1HD   PRO  11          HD2       PRO  11   6.219   4.278  -4.855
   96   2HD   PRO  11          HD1       PRO  11   5.844   2.615  -5.353
   97    H    GLU  12           H        GLU  12   4.698   6.335  -9.237
   98    HA   GLU  12           HA       GLU  12   6.299   8.549  -8.089
   99   1HB   GLU  12          HB2       GLU  12   6.166   7.837 -11.022
  100   2HB   GLU  12          HB1       GLU  12   6.484   9.488 -10.492
  101   1HG   GLU  12          HG2       GLU  12   8.088   7.078  -9.594
  102   2HG   GLU  12          HG1       GLU  12   8.573   8.162 -10.899
  103    H    THR  13           H        THR  13   5.167  10.528  -8.088
  104    HA   THR  13           HA       THR  13   2.254  10.311  -8.513
  105    HB   THR  13           HB       THR  13   2.431  12.759  -7.580
  106    HG1  THR  13           HG1      THR  13   4.323  13.337  -6.872
  107   1HG2  THR  13          1HG2      THR  13   1.451  11.085  -6.225
  108   2HG2  THR  13          2HG2      THR  13   2.746  11.757  -5.235
  109   3HG2  THR  13          3HG2      THR  13   2.973  10.213  -6.057
  110    H    GLY  14           H        GLY  14   5.031  12.095  -9.779
  111   1HA   GLY  14          HA2       GLY  14   5.209  12.877 -12.048
  112   2HA   GLY  14          HA1       GLY  14   3.452  12.814 -12.187
  113    H    ARG  15           H        ARG  15   5.179  14.257  -9.500
  114    HA   ARG  15           HA       ARG  15   5.207  16.437  -8.651
  115   1HB   ARG  15          HB2       ARG  15   6.360  16.664 -10.984
  116   2HB   ARG  15          HB1       ARG  15   4.858  17.457 -11.464
  117   1HG   ARG  15          HG2       ARG  15   5.102  19.038  -9.572
  118   2HG   ARG  15          HG1       ARG  15   6.625  18.263  -9.135
  119   1HD   ARG  15          HD2       ARG  15   7.083  18.771 -11.763
  120   2HD   ARG  15          HD1       ARG  15   6.024  20.124 -11.361
  121    HE   ARG  15           HE       ARG  15   8.477  19.545  -9.750
  122   1HH1  ARG  15          1HH1      ARG  15   8.432  21.321 -12.316
  123   2HH1  ARG  15          2HH1      ARG  15   8.399  22.892 -11.587
  124   1HH2  ARG  15          1HH2      ARG  15   7.550  21.701  -8.443
  125   2HH2  ARG  15          2HH2      ARG  15   7.893  23.107  -9.393
  126    H    CYS  16           H        CYS  16   2.658  15.036  -8.964
  127    HA   CYS  16           HA       CYS  16   0.849  17.394  -8.885
  128   1HB   CYS  16          HB2       CYS  16   0.118  14.776 -10.218
  129   2HB   CYS  16          HB1       CYS  16  -0.872  16.231 -10.115
  130    H    ASN  17           H        ASN  17  -0.128  17.406  -6.983
  131    HA   ASN  17           HA       ASN  17  -0.953  14.865  -5.674
  132   1HB   ASN  17          HB2       ASN  17   0.833  16.992  -4.488
  133   2HB   ASN  17          HB1       ASN  17  -0.131  15.925  -3.468
  134   1HD2  ASN  17          1HD2      ASN  17   1.288  14.351  -2.687
  135   2HD2  ASN  17          2HD2      ASN  17   2.391  13.483  -3.642
  136    H    ALA  18           H        ALA  18  -2.561  15.232  -3.957
  137    HA   ALA  18           HA       ALA  18  -3.768  17.728  -3.337
  138   1HB   ALA  18          HB1       ALA  18  -4.535  17.999  -5.559
  139   2HB   ALA  18          HB2       ALA  18  -5.921  17.306  -4.717
  140   3HB   ALA  18          HB3       ALA  18  -4.903  16.282  -5.728
  141    H    LEU  19           H        LEU  19  -5.378  14.738  -4.383
  142    HA   LEU  19           HA       LEU  19  -5.490  13.352  -1.932
  143   1HB   LEU  19          HB2       LEU  19  -7.089  15.704  -1.845
  144   2HB   LEU  19          HB1       LEU  19  -8.209  14.350  -1.998
  145    HG   LEU  19           HG       LEU  19  -5.943  14.357   0.007
  146   1HD1  LEU  19          1HD1      LEU  19  -7.767  14.923   1.672
  147   2HD1  LEU  19          2HD1      LEU  19  -8.797  15.333   0.302
  148   3HD1  LEU  19          3HD1      LEU  19  -7.318  16.248   0.598
  149   1HD2  LEU  19          1HD2      LEU  19  -6.830  12.162  -0.453
  150   2HD2  LEU  19          2HD2      LEU  19  -8.489  12.757  -0.366
  151   3HD2  LEU  19          3HD2      LEU  19  -7.504  12.680   1.095
  152    H    ILE  20           H        ILE  20  -5.665  11.410  -2.957
  153    HA   ILE  20           HA       ILE  20  -8.128  10.755  -4.396
  154    HB   ILE  20           HB       ILE  20  -5.427  10.434  -5.767
  155   1HG1  ILE  20          2HG1      ILE  20  -7.709  12.373  -6.312
  156   2HG1  ILE  20          1HG1      ILE  20  -6.079  12.794  -5.797
  157   1HG2  ILE  20          1HG2      ILE  20  -8.259   9.901  -6.723
  158   2HG2  ILE  20          2HG2      ILE  20  -7.091   8.667  -6.254
  159   3HG2  ILE  20          3HG2      ILE  20  -6.791   9.671  -7.673
  160   1HD1  ILE  20          1HD1      ILE  20  -6.929  11.633  -8.456
  161   2HD1  ILE  20          2HD1      ILE  20  -5.247  11.673  -7.930
  162   3HD1  ILE  20          3HD1      ILE  20  -6.137  13.180  -8.153
  163    HA   PRO  21           HA       PRO  21  -6.997   7.218  -2.028
  164   1HB   PRO  21          HB2       PRO  21  -8.733   5.363  -3.091
  165   2HB   PRO  21          HB1       PRO  21  -9.197   6.594  -1.911
  166   1HG   PRO  21          HG2       PRO  21  -9.717   6.512  -4.851
  167   2HG   PRO  21          HG1       PRO  21 -10.671   7.266  -3.562
  168   1HD   PRO  21          HD2       PRO  21  -8.970   8.637  -5.309
  169   2HD   PRO  21          HD1       PRO  21  -9.557   9.268  -3.759
  170    H    ALA  22           H        ALA  22  -4.871   7.379  -3.317
  171    HA   ALA  22           HA       ALA  22  -4.605   5.194  -5.323
  172   1HB   ALA  22          HB1       ALA  22  -2.777   6.275  -6.136
  173   2HB   ALA  22          HB2       ALA  22  -2.195   6.709  -4.531
  174   3HB   ALA  22          HB3       ALA  22  -3.444   7.678  -5.307
  175    H    PHE  23           H        PHE  23  -3.898   3.287  -4.621
  176    HA   PHE  23           HA       PHE  23  -2.515   3.124  -1.964
  177   1HB   PHE  23          HB2       PHE  23  -4.866   1.559  -3.026
  178   2HB   PHE  23          HB1       PHE  23  -3.862   0.942  -1.731
  179    HD1  PHE  23           HD1      PHE  23  -5.596   4.234  -2.577
  180    HD2  PHE  23           HD2      PHE  23  -4.669   1.243   0.399
  181    HE1  PHE  23           HE1      PHE  23  -6.937   5.470  -0.927
  182    HE2  PHE  23           HE2      PHE  23  -6.033   2.503   2.050
  183    HZ   PHE  23           HZ       PHE  23  -7.168   4.608   1.388
  184    H    TYR  24           H        TYR  24  -0.830   1.654  -1.875
  185    HA   TYR  24           HA       TYR  24  -0.708  -0.510  -3.841
  186   1HB   TYR  24          HB2       TYR  24   1.509  -0.066  -4.678
  187   2HB   TYR  24          HB1       TYR  24   0.472   1.314  -5.019
  188    HD1  TYR  24           HD1      TYR  24   1.063   3.435  -4.343
  189    HD2  TYR  24           HD2      TYR  24   2.973   0.028  -2.547
  190    HE1  TYR  24           HE1      TYR  24   2.692   4.941  -3.197
  191    HE2  TYR  24           HE2      TYR  24   4.596   1.514  -1.422
  192    HH   TYR  24           HH       TYR  24   4.160   4.853  -1.161
  193    H    TYR  25           H        TYR  25   1.378  -1.884  -3.351
  194    HA   TYR  25           HA       TYR  25   1.230  -2.405  -0.449
  195   1HB   TYR  25          HB2       TYR  25   0.933  -4.165  -2.264
  196   2HB   TYR  25          HB1       TYR  25   2.673  -4.062  -2.508
  197    HD1  TYR  25           HD1      TYR  25   4.152  -4.278  -0.346
  198    HD2  TYR  25           HD2      TYR  25   0.074  -5.597  -0.635
  199    HE1  TYR  25           HE1      TYR  25   4.502  -5.788   1.586
  200    HE2  TYR  25           HE2      TYR  25   0.426  -7.107   1.298
  201    HH   TYR  25           HH       TYR  25   3.194  -8.147   2.324
  202    H    ASN  26           H        ASN  26   2.846  -2.292   0.929
  203    HA   ASN  26           HA       ASN  26   5.529  -1.357  -0.006
  204   1HB   ASN  26          HB2       ASN  26   3.997  -0.761   2.542
  205   2HB   ASN  26          HB1       ASN  26   5.713  -0.404   2.349
  206   1HD2  ASN  26          1HD2      ASN  26   2.507   0.306   0.909
  207   2HD2  ASN  26          2HD2      ASN  26   2.963   1.802   0.253
  208    H    SER  27           H        SER  27   7.272  -2.557   0.659
  209    HA   SER  27           HA       SER  27   6.800  -5.180   1.836
  210   1HB   SER  27          HB2       SER  27   9.237  -5.469   1.555
  211   2HB   SER  27          HB1       SER  27   8.497  -4.849   0.081
  212    HG   SER  27           HG       SER  27  10.457  -3.752   0.828
  213    H    HIS  28           H        HIS  28   8.353  -2.159   2.898
  214    HA   HIS  28           HA       HIS  28   9.363  -3.108   5.399
  215   1HB   HIS  28          HB2       HIS  28   9.596  -0.772   4.075
  216   2HB   HIS  28          HB1       HIS  28   8.359  -0.307   5.243
  217    HD1  HIS  28           HD1      HIS  28   9.304   0.557   7.378
  218    HD2  HIS  28           HD2      HIS  28  11.865  -2.205   5.589
  219    HE1  HIS  28           HE1      HIS  28  11.347   0.401   8.869
  220    H    LEU  29           H        LEU  29   6.205  -1.897   4.420
  221    HA   LEU  29           HA       LEU  29   5.152  -1.944   7.168
  222   1HB   LEU  29          HB2       LEU  29   4.434  -0.219   5.495
  223   2HB   LEU  29          HB1       LEU  29   3.695  -1.503   4.541
  224    HG   LEU  29           HG       LEU  29   2.494  -2.066   6.840
  225   1HD1  LEU  29          1HD1      LEU  29   3.255  -0.566   8.403
  226   2HD1  LEU  29          2HD1      LEU  29   1.970   0.426   7.717
  227   3HD1  LEU  29          3HD1      LEU  29   3.637   0.657   7.193
  228   1HD2  LEU  29          1HD2      LEU  29   1.808   0.165   4.913
  229   2HD2  LEU  29          2HD2      LEU  29   0.685  -0.398   6.152
  230   3HD2  LEU  29          3HD2      LEU  29   1.228  -1.500   4.886
  231    H    HIS  30           H        HIS  30   5.282  -4.034   4.388
  232    HA   HIS  30           HA       HIS  30   4.570  -6.247   4.081
  233   1HB   HIS  30          HB2       HIS  30   4.744  -5.890   6.995
  234   2HB   HIS  30          HB1       HIS  30   3.527  -7.080   6.537
  235    HD1  HIS  30           HD1      HIS  30   4.360  -9.329   5.680
  236    HD2  HIS  30           HD2      HIS  30   7.398  -6.493   6.016
  237    HE1  HIS  30           HE1      HIS  30   6.537 -10.566   5.279
  238    H    LYS  31           H        LYS  31   2.801  -3.890   3.823
  239    HA   LYS  31           HA       LYS  31   0.246  -5.278   3.533
  240   1HB   LYS  31          HB2       LYS  31   0.798  -3.672   5.900
  241   2HB   LYS  31          HB1       LYS  31  -0.552  -3.007   4.985
  242   1HG   LYS  31          HG2       LYS  31  -1.856  -4.915   5.264
  243   2HG   LYS  31          HG1       LYS  31  -0.455  -5.963   5.482
  244   1HD   LYS  31          HD2       LYS  31  -0.096  -5.213   7.703
  245   2HD   LYS  31          HD1       LYS  31  -1.146  -3.814   7.487
  246   1HE   LYS  31          HE2       LYS  31  -2.256  -6.592   7.182
  247   2HE   LYS  31          HE1       LYS  31  -2.062  -5.886   8.787
  248   1HZ   LYS  31          HZ1       LYS  31  -4.197  -5.280   8.140
  249   2HZ   LYS  31          HZ2       LYS  31  -3.731  -4.932   6.543
  250   3HZ   LYS  31          HZ3       LYS  31  -3.277  -3.894   7.808
  251    H    CYS  32           H        CYS  32  -1.397  -3.113   3.207
  252    HA   CYS  32           HA       CYS  32  -0.223  -1.824   0.804
  253   1HB   CYS  32          HB2       CYS  32  -2.627  -2.915   0.995
  254   2HB   CYS  32          HB1       CYS  32  -3.046  -1.365   1.711
  255    H    GLN  33           H        GLN  33  -0.592   0.486   0.481
  256    HA   GLN  33           HA       GLN  33  -1.054   2.135   2.892
  257   1HB   GLN  33          HB2       GLN  33   1.431   1.687   2.784
  258   2HB   GLN  33          HB1       GLN  33   1.437   2.466   1.203
  259   1HG   GLN  33          HG2       GLN  33   1.159   4.559   2.072
  260   2HG   GLN  33          HG1       GLN  33   0.114   3.989   3.374
  261   1HE2  GLN  33          1HE2      GLN  33   1.179   3.068   5.313
  262   2HE2  GLN  33          2HE2      GLN  33   2.807   3.419   5.646
  263    H    LYS  34           H        LYS  34  -1.732   4.243   2.320
  264    HA   LYS  34           HA       LYS  34  -2.557   4.459  -0.521
  265   1HB   LYS  34          HB2       LYS  34  -4.202   6.082   0.262
  266   2HB   LYS  34          HB1       LYS  34  -4.274   4.648   1.273
  267   1HG   LYS  34          HG2       LYS  34  -2.985   5.733   3.024
  268   2HG   LYS  34          HG1       LYS  34  -2.746   7.153   2.004
  269   1HD   LYS  34          HD2       LYS  34  -4.564   7.885   3.218
  270   2HD   LYS  34          HD1       LYS  34  -5.410   7.072   1.900
  271   1HE   LYS  34          HE2       LYS  34  -5.624   5.040   3.247
  272   2HE   LYS  34          HE1       LYS  34  -4.707   5.787   4.555
  273   1HZ   LYS  34          HZ1       LYS  34  -6.443   7.535   4.628
  274   2HZ   LYS  34          HZ2       LYS  34  -7.012   5.990   5.048
  275   3HZ   LYS  34          HZ3       LYS  34  -7.352   6.635   3.514
  276    H    PHE  35           H        PHE  35  -1.886   6.145  -1.808
  277    HA   PHE  35           HA       PHE  35  -0.136   8.198  -0.570
  278   1HB   PHE  35          HB2       PHE  35   1.445   8.063  -2.334
  279   2HB   PHE  35          HB1       PHE  35   1.122   6.398  -1.875
  280    HD1  PHE  35           HD1      PHE  35  -0.011   4.870  -3.379
  281    HD2  PHE  35           HD2      PHE  35   0.570   8.993  -4.448
  282    HE1  PHE  35           HE1      PHE  35  -0.578   4.343  -5.734
  283    HE2  PHE  35           HE2      PHE  35  -0.001   8.463  -6.803
  284    HZ   PHE  35           HZ       PHE  35  -0.573   6.138  -7.446
  285    H    ASN  36           H        ASN  36  -0.013  10.195  -1.940
  286    HA   ASN  36           HA       ASN  36  -2.734  10.855  -2.895
  287   1HB   ASN  36          HB2       ASN  36  -1.119  12.193  -1.222
  288   2HB   ASN  36          HB1       ASN  36  -0.596  12.907  -2.746
  289   1HD2  ASN  36          1HD2      ASN  36  -2.619  13.599  -0.313
  290   2HD2  ASN  36          2HD2      ASN  36  -3.894  14.340  -1.150
  291    H    TYR  37           H        TYR  37  -3.121  10.680  -5.009
  292    HA   TYR  37           HA       TYR  37  -0.899  11.154  -6.952
  293   1HB   TYR  37          HB2       TYR  37  -2.012   8.892  -6.978
  294   2HB   TYR  37          HB1       TYR  37  -3.518   9.695  -7.421
  295    HD1  TYR  37           HD1      TYR  37   0.067  10.099  -8.471
  296    HD2  TYR  37           HD2      TYR  37  -3.996   9.416  -9.685
  297    HE1  TYR  37           HE1      TYR  37   0.773  10.119 -10.845
  298    HE2  TYR  37           HE2      TYR  37  -3.289   9.435 -12.061
  299    HH   TYR  37           HH       TYR  37  -1.236   9.049 -13.371
  300    H    GLY  38           H        GLY  38  -1.508  12.320  -8.939
  301   1HA   GLY  38          HA2       GLY  38  -3.736  14.264  -8.469
  302   2HA   GLY  38          HA1       GLY  38  -2.220  14.704  -9.253
  303    H    GLY  39           H        GLY  39  -1.777  12.821 -11.090
  304   1HA   GLY  39          HA2       GLY  39  -3.185  11.484 -12.774
  305   2HA   GLY  39          HA1       GLY  39  -4.186  12.934 -12.860
  306    H    CYS  40           H        CYS  40  -0.681  12.254 -12.926
  307    HA   CYS  40           HA       CYS  40  -0.487  13.795 -15.476
  308   1HB   CYS  40          HB2       CYS  40   1.485  13.980 -13.179
  309   2HB   CYS  40          HB1       CYS  40   1.517  14.909 -14.678
  310    H    GLY  41           H        GLY  41  -0.492  10.857 -14.725
  311   1HA   GLY  41          HA2       GLY  41   0.541   9.033 -15.859
  312   2HA   GLY  41          HA1       GLY  41   1.875  10.095 -16.312
  313    H    GLY  42           H        GLY  42   1.759   7.387 -14.931
  314   1HA   GLY  42          HA2       GLY  42   3.863   7.918 -12.971
  315   2HA   GLY  42          HA1       GLY  42   2.375   7.302 -12.252
  316    H    ASN  43           H        ASN  43   4.015   5.524 -11.700
  317    HA   ASN  43           HA       ASN  43   4.671   3.672 -13.899
  318   1HB   ASN  43          HB2       ASN  43   5.098   3.387 -10.907
  319   2HB   ASN  43          HB1       ASN  43   5.807   2.368 -12.157
  320   1HD2  ASN  43          1HD2      ASN  43   8.017   2.963 -11.769
  321   2HD2  ASN  43          2HD2      ASN  43   8.607   4.531 -12.044
  322    H    ALA  44           H        ALA  44   4.319   1.194 -12.708
  323    HA   ALA  44           HA       ALA  44   1.433   0.796 -13.004
  324   1HB   ALA  44          HB1       ALA  44   3.719  -1.106 -12.408
  325   2HB   ALA  44          HB2       ALA  44   2.907  -0.873 -13.956
  326   3HB   ALA  44          HB3       ALA  44   2.045  -1.623 -12.612
  327    H    ASN  45           H        ASN  45   3.765   0.900 -10.385
  328    HA   ASN  45           HA       ASN  45   2.231  -0.327  -8.313
  329   1HB   ASN  45          HB2       ASN  45   4.588   1.462  -8.492
  330   2HB   ASN  45          HB1       ASN  45   3.701   1.549  -6.972
  331   1HD2  ASN  45          1HD2      ASN  45   3.123  -0.781  -6.065
  332   2HD2  ASN  45          2HD2      ASN  45   4.369  -1.928  -6.163
  333    H    ASN  46           H        ASN  46   0.052   0.401  -8.386
  334    HA   ASN  46           HA       ASN  46  -0.680   2.615  -6.795
  335   1HB   ASN  46          HB2       ASN  46  -1.616   4.141  -8.582
  336   2HB   ASN  46          HB1       ASN  46   0.144   4.110  -8.502
  337   1HD2  ASN  46          1HD2      ASN  46  -2.651   3.089 -10.428
  338   2HD2  ASN  46          2HD2      ASN  46  -1.764   2.626 -11.799
  339    H    PHE  47           H        PHE  47  -2.595   1.966  -6.052
  340    HA   PHE  47           HA       PHE  47  -4.511   0.638  -7.955
  341   1HB   PHE  47          HB2       PHE  47  -4.418   0.243  -4.955
  342   2HB   PHE  47          HB1       PHE  47  -5.374  -0.663  -6.122
  343    HD1  PHE  47           HD1      PHE  47  -2.815  -1.138  -4.029
  344    HD2  PHE  47           HD2      PHE  47  -3.555  -1.321  -8.257
  345    HE1  PHE  47           HE1      PHE  47  -0.974  -2.789  -4.285
  346    HE2  PHE  47           HE2      PHE  47  -1.710  -2.958  -8.515
  347    HZ   PHE  47           HZ       PHE  47  -0.418  -3.692  -6.530
  348    H    LYS  48           H        LYS  48  -6.780   0.704  -6.448
  349    HA   LYS  48           HA       LYS  48  -7.308   3.622  -6.137
  350   1HB   LYS  48          HB2       LYS  48  -8.878   1.341  -7.193
  351   2HB   LYS  48          HB1       LYS  48  -9.783   2.472  -6.186
  352   1HG   LYS  48          HG2       LYS  48  -9.976   3.386  -8.353
  353   2HG   LYS  48          HG1       LYS  48  -8.672   4.322  -7.623
  354   1HD   LYS  48          HD2       LYS  48  -7.294   2.192  -8.683
  355   2HD   LYS  48          HD1       LYS  48  -8.585   2.402  -9.864
  356   1HE   LYS  48          HE2       LYS  48  -7.853   4.492 -10.503
  357   2HE   LYS  48          HE1       LYS  48  -7.181   4.858  -8.914
  358   1HZ   LYS  48          HZ1       LYS  48  -5.462   4.485 -10.602
  359   2HZ   LYS  48          HZ2       LYS  48  -6.035   2.902 -10.833
  360   3HZ   LYS  48          HZ3       LYS  48  -5.368   3.358  -9.338
  361    H    THR  49           H        THR  49  -7.404   0.500  -4.537
  362    HA   THR  49           HA       THR  49  -7.691   1.775  -1.937
  363    HB   THR  49           HB       THR  49  -9.646   0.209  -1.356
  364    HG1  THR  49           HG1      THR  49 -10.950  -0.216  -3.250
  365   1HG2  THR  49          1HG2      THR  49  -9.621   2.788  -1.923
  366   2HG2  THR  49          2HG2      THR  49 -11.151   1.930  -1.743
  367   3HG2  THR  49          3HG2      THR  49 -10.513   2.265  -3.352
  368    H    ILE  50           H        ILE  50  -7.989  -0.215  -0.305
  369    HA   ILE  50           HA       ILE  50  -5.625  -1.863  -0.632
  370    HB   ILE  50           HB       ILE  50  -7.797  -2.115   1.462
  371   1HG1  ILE  50          2HG1      ILE  50  -5.228  -0.520   1.648
  372   2HG1  ILE  50          1HG1      ILE  50  -6.771   0.212   1.207
  373   1HG2  ILE  50          1HG2      ILE  50  -4.928  -3.034   1.241
  374   2HG2  ILE  50          2HG2      ILE  50  -6.363  -4.010   1.551
  375   3HG2  ILE  50          3HG2      ILE  50  -5.755  -2.916   2.794
  376   1HD1  ILE  50          1HD1      ILE  50  -6.363   0.441   3.625
  377   2HD1  ILE  50          2HD1      ILE  50  -6.205  -1.310   3.769
  378   3HD1  ILE  50          3HD1      ILE  50  -7.756  -0.598   3.325
  379    H    ASP  51           H        ASP  51  -9.012  -2.280  -1.334
  380    HA   ASP  51           HA       ASP  51  -9.260  -5.111  -1.194
  381   1HB   ASP  51          HB2       ASP  51 -11.064  -3.305  -1.696
  382   2HB   ASP  51          HB1       ASP  51 -10.543  -3.460  -3.374
  383    H    GLU  52           H        GLU  52  -8.679  -3.171  -4.154
  384    HA   GLU  52           HA       GLU  52  -7.834  -5.368  -5.782
  385   1HB   GLU  52          HB2       GLU  52  -8.407  -2.811  -6.337
  386   2HB   GLU  52          HB1       GLU  52  -6.654  -2.653  -6.225
  387   1HG   GLU  52          HG2       GLU  52  -6.276  -3.969  -8.075
  388   2HG   GLU  52          HG1       GLU  52  -7.722  -4.944  -7.809
  389    H    CYS  53           H        CYS  53  -6.203  -3.322  -3.464
  390    HA   CYS  53           HA       CYS  53  -3.475  -3.878  -4.065
  391   1HB   CYS  53          HB2       CYS  53  -4.602  -2.182  -2.416
  392   2HB   CYS  53          HB1       CYS  53  -4.512  -3.512  -1.266
  393    H    GLN  54           H        GLN  54  -5.733  -5.417  -1.781
  394    HA   GLN  54           HA       GLN  54  -3.971  -7.409  -0.766
  395   1HB   GLN  54          HB2       GLN  54  -6.191  -6.779   0.216
  396   2HB   GLN  54          HB1       GLN  54  -6.974  -7.627  -1.117
  397   1HG   GLN  54          HG2       GLN  54  -6.307  -9.718  -0.362
  398   2HG   GLN  54          HG1       GLN  54  -4.895  -9.079   0.479
  399   1HE2  GLN  54          1HE2      GLN  54  -5.817  -7.225   2.216
  400   2HE2  GLN  54          2HE2      GLN  54  -7.003  -7.858   3.253
  401    H    ARG  55           H        ARG  55  -6.175  -7.452  -3.551
  402    HA   ARG  55           HA       ARG  55  -5.879 -10.210  -4.226
  403   1HB   ARG  55          HB2       ARG  55  -7.652  -8.687  -5.110
  404   2HB   ARG  55          HB1       ARG  55  -6.428  -7.899  -6.106
  405   1HG   ARG  55          HG2       ARG  55  -5.957 -10.465  -6.795
  406   2HG   ARG  55          HG1       ARG  55  -7.673 -10.585  -6.406
  407   1HD   ARG  55          HD2       ARG  55  -8.096  -8.626  -7.912
  408   2HD   ARG  55          HD1       ARG  55  -6.397  -8.672  -8.381
  409    HE   ARG  55           HE       ARG  55  -7.534 -11.264  -8.783
  410   1HH1  ARG  55          1HH2      ARG  55  -9.244  -8.676  -9.747
  411   2HH1  ARG  55          2HH2      ARG  55  -8.966  -8.835 -11.450
  412   1HH2  ARG  55          1HH1      ARG  55  -6.467 -11.212 -11.087
  413   2HH2  ARG  55          2HH1      ARG  55  -7.395 -10.273 -12.208
  414    H    THR  56           H        THR  56  -4.385  -7.422  -5.925
  415    HA   THR  56           HA       THR  56  -2.621  -9.015  -7.484
  416    HB   THR  56           HB       THR  56  -3.169  -6.760  -8.164
  417    HG1  THR  56           HG1      THR  56  -1.190  -6.256  -8.851
  418   1HG2  THR  56          1HG2      THR  56  -1.420  -5.518  -6.100
  419   2HG2  THR  56          2HG2      THR  56  -3.030  -6.025  -5.592
  420   3HG2  THR  56          3HG2      THR  56  -2.845  -4.868  -6.908
  421    H    CYS  57           H        CYS  57  -1.799  -7.133  -4.504
  422    HA   CYS  57           HA       CYS  57   0.810  -8.558  -4.445
  423   1HB   CYS  57          HB2       CYS  57   0.435  -5.969  -4.127
  424   2HB   CYS  57          HB1       CYS  57   0.073  -6.438  -2.466
  425    H    ALA  58           H        ALA  58  -1.992  -7.937  -2.318
  426    HA   ALA  58           HA       ALA  58  -2.778  -9.101  -0.440
  427   1HB   ALA  58          HB1       ALA  58  -2.124 -11.510  -0.245
  428   2HB   ALA  58          HB2       ALA  58  -1.023 -11.287  -1.601
  429   3HB   ALA  58          HB3       ALA  58  -2.759 -11.096  -1.836
  430    H    ALA  59           H        ALA  59  -2.064  -9.800   1.712
  431    HA   ALA  59           HA       ALA  59   0.720  -8.885   2.312
  432   1HB   ALA  59          HB1       ALA  59  -1.246  -7.611   3.313
  433   2HB   ALA  59          HB2       ALA  59  -0.062  -8.209   4.476
  434   3HB   ALA  59          HB3       ALA  59  -1.592  -9.058   4.259
  435    H    LYS  60           H        LYS  60  -1.716 -11.032   3.830
  436    HA   LYS  60           HA       LYS  60   0.475 -13.015   4.313
  437   1HB   LYS  60          HB2       LYS  60  -1.978 -12.430   6.000
  438   2HB   LYS  60          HB1       LYS  60  -0.790 -13.689   6.337
  439   1HG   LYS  60          HG2       LYS  60   0.556 -12.201   7.361
  440   2HG   LYS  60          HG1       LYS  60   0.592 -11.192   5.916
  441   1HD   LYS  60          HD2       LYS  60  -1.339  -9.970   6.599
  442   2HD   LYS  60          HD1       LYS  60  -1.728 -11.144   7.857
  443   1HE   LYS  60          HE2       LYS  60  -0.715  -9.183   8.891
  444   2HE   LYS  60          HE1       LYS  60   0.401 -10.543   9.019
  445   1HZ   LYS  60          HZ1       LYS  60   0.562  -8.733   6.705
  446   2HZ   LYS  60          HZ2       LYS  60   1.780  -9.683   7.414
  447   3HZ   LYS  60          HZ3       LYS  60   1.248  -8.260   8.180
  448    H    TYR  61           H        TYR  61   0.183 -14.943   3.350
  449    HA   TYR  61           HA       TYR  61  -2.374 -16.269   3.135
  450   1HB   TYR  61          HB2       TYR  61  -1.550 -14.531   0.936
  451   2HB   TYR  61          HB1       TYR  61  -1.737 -16.199   0.400
  452    HD1  TYR  61           HD1      TYR  61  -3.894 -17.287   1.959
  453    HD2  TYR  61           HD2      TYR  61  -3.462 -13.315   0.378
  454    HE1  TYR  61           HE1      TYR  61  -6.358 -17.013   1.972
  455    HE2  TYR  61           HE2      TYR  61  -5.927 -13.043   0.392
  456    HH   TYR  61           HH       TYR  61  -8.046 -15.496   0.581
  457    H    GLY  62           H        GLY  62  -2.138 -18.410   2.146
  458   1HA   GLY  62          HA2       GLY  62  -0.884 -20.291   1.374
  459   2HA   GLY  62          HA1       GLY  62   0.591 -19.330   1.494
  460    H    ARG  63           H        ARG  63   1.775 -20.772   2.755
  461    HA   ARG  63           HA       ARG  63   0.799 -21.163   5.554
  462   1HB   ARG  63          HB2       ARG  63   1.262 -23.181   3.617
  463   2HB   ARG  63          HB1       ARG  63   2.622 -23.266   4.732
  464   1HG   ARG  63          HG2       ARG  63   1.309 -24.349   6.205
  465   2HG   ARG  63          HG1       ARG  63   0.303 -22.909   6.336
  466   1HD   ARG  63          HD2       ARG  63  -1.332 -23.774   5.008
  467   2HD   ARG  63          HD1       ARG  63  -0.176 -24.534   3.912
  468    HE   ARG  63           HE       ARG  63   0.094 -26.203   5.953
  469   1HH1  ARG  63          1HH2      ARG  63  -2.181 -25.279   7.525
  470   2HH1  ARG  63          2HH2      ARG  63  -3.507 -26.207   6.909
  471   1HH2  ARG  63          1HH1      ARG  63  -1.858 -27.119   3.999
  472   2HH2  ARG  63          2HH1      ARG  63  -3.322 -27.256   4.914
  473    H    SER  64           H        SER  64   2.573 -21.397   7.124
  474    HA   SER  64           HA       SER  64   4.642 -19.453   6.803
  475   1HB   SER  64          HB2       SER  64   5.619 -20.616   8.865
  476   2HB   SER  64          HB1       SER  64   3.979 -19.993   9.028
  477    HG   SER  64           HG       SER  64   4.773 -22.661   8.456
  478    H    SER  65           H        SER  65   7.037 -20.045   7.068
  479    HA   SER  65           HA       SER  65   7.721 -22.424   5.382
  480   1HB   SER  65          HB2       SER  65   9.674 -21.001   4.582
  481   2HB   SER  65          HB1       SER  65   8.086 -20.487   4.020
  482    HG   SER  65           HG       SER  65   9.754 -18.964   5.158
  Start of MODEL    4
    1   1H    LYS   1          HT1       LYS   1   7.053 -20.725 -10.793
    2   2H    LYS   1          HT2       LYS   1   7.345 -20.629  -9.123
    3   3H    LYS   1          HT3       LYS   1   8.375 -19.832 -10.214
    4    HA   LYS   1           HA       LYS   1   5.493 -19.190  -9.939
    5   1HB   LYS   1          HB2       LYS   1   7.868 -18.345  -8.354
    6   2HB   LYS   1          HB1       LYS   1   6.735 -17.077  -8.823
    7   1HG   LYS   1          HG2       LYS   1   4.896 -18.220  -7.776
    8   2HG   LYS   1          HG1       LYS   1   5.874 -19.662  -7.503
    9   1HD   LYS   1          HD2       LYS   1   6.972 -17.156  -6.366
   10   2HD   LYS   1          HD1       LYS   1   5.481 -17.733  -5.622
   11   1HE   LYS   1          HE2       LYS   1   6.455 -19.696  -4.864
   12   2HE   LYS   1          HE1       LYS   1   7.670 -19.710  -6.140
   13   1HZ   LYS   1          HZ1       LYS   1   9.051 -18.885  -4.623
   14   2HZ   LYS   1          HZ2       LYS   1   7.795 -18.561  -3.529
   15   3HZ   LYS   1          HZ3       LYS   1   8.193 -17.422  -4.725
   16    H    ASN   2           H        ASN   2   5.413 -16.691 -10.552
   17    HA   ASN   2           HA       ASN   2   7.305 -15.693 -12.479
   18   1HB   ASN   2          HB2       ASN   2   6.262 -17.611 -13.762
   19   2HB   ASN   2          HB1       ASN   2   4.721 -16.760 -13.658
   20   1HD2  ASN   2          1HD2      ASN   2   4.326 -15.686 -15.593
   21   2HD2  ASN   2          2HD2      ASN   2   5.496 -14.865 -16.510
   22    H    ARG   3           H        ARG   3   6.662 -14.124 -10.659
   23    HA   ARG   3           HA       ARG   3   4.572 -12.297 -11.711
   24   1HB   ARG   3          HB2       ARG   3   4.672 -13.464  -8.931
   25   2HB   ARG   3          HB1       ARG   3   3.913 -11.899  -9.231
   26   1HG   ARG   3          HG2       ARG   3   2.373 -12.874 -10.821
   27   2HG   ARG   3          HG1       ARG   3   3.212 -14.424 -10.752
   28   1HD   ARG   3          HD2       ARG   3   2.208 -15.023  -8.798
   29   2HD   ARG   3          HD1       ARG   3   2.306 -13.394  -8.132
   30    HE   ARG   3           HE       ARG   3   0.064 -13.154  -8.791
   31   1HH1  ARG   3          1HH2      ARG   3   1.006 -16.092 -10.046
   32   2HH1  ARG   3          2HH2      ARG   3  -0.047 -16.055 -11.421
   33   1HH2  ARG   3          1HH1      ARG   3  -0.981 -12.750 -10.950
   34   2HH2  ARG   3          2HH1      ARG   3  -1.163 -14.161 -11.938
   35    HA   PRO   4           HA       PRO   4   7.677  -9.288 -10.800
   36   1HB   PRO   4          HB2       PRO   4   6.124  -7.033 -10.640
   37   2HB   PRO   4          HB1       PRO   4   6.500  -7.843 -12.172
   38   1HG   PRO   4          HG2       PRO   4   3.962  -7.845 -10.602
   39   2HG   PRO   4          HG1       PRO   4   4.201  -8.021 -12.353
   40   1HD   PRO   4          HD2       PRO   4   3.675 -10.131 -10.556
   41   2HD   PRO   4          HD1       PRO   4   4.300 -10.313 -12.209
   42    H    THR   5           H        THR   5   8.416  -7.797  -9.146
   43    HA   THR   5           HA       THR   5   7.038  -8.127  -6.515
   44    HB   THR   5           HB       THR   5   9.339  -9.010  -6.531
   45    HG1  THR   5           HG1      THR   5   9.234  -6.496  -5.227
   46   1HG2  THR   5          1HG2      THR   5  10.411  -7.860  -8.293
   47   2HG2  THR   5          2HG2      THR   5  11.193  -7.237  -6.840
   48   3HG2  THR   5          3HG2      THR   5   9.956  -6.281  -7.653
   49    H    PHE   6           H        PHE   6   6.561  -6.163  -8.773
   50    HA   PHE   6           HA       PHE   6   7.415  -3.582  -8.421
   51   1HB   PHE   6          HB2       PHE   6   5.378  -2.874  -9.464
   52   2HB   PHE   6          HB1       PHE   6   5.753  -4.464 -10.114
   53    HD1  PHE   6           HD1      PHE   6   4.768  -6.425  -8.309
   54    HD2  PHE   6           HD2      PHE   6   3.116  -2.549  -9.140
   55    HE1  PHE   6           HE1      PHE   6   2.579  -7.221  -7.569
   56    HE2  PHE   6           HE2      PHE   6   0.893  -3.353  -8.406
   57    HZ   PHE   6           HZ       PHE   6   0.616  -5.691  -7.614
   58    H    CYS   7           H        CYS   7   5.398  -5.378  -6.180
   59    HA   CYS   7           HA       CYS   7   4.144  -3.340  -4.673
   60   1HB   CYS   7          HB2       CYS   7   5.569  -5.724  -3.442
   61   2HB   CYS   7          HB1       CYS   7   4.200  -4.844  -2.775
   62    H    ASN   8           H        ASN   8   7.552  -4.150  -4.883
   63    HA   ASN   8           HA       ASN   8   8.330  -2.429  -2.622
   64   1HB   ASN   8          HB2       ASN   8   9.750  -4.187  -4.584
   65   2HB   ASN   8          HB1       ASN   8  10.669  -2.886  -3.828
   66   1HD2  ASN   8          1HD2      ASN   8  10.916  -2.947  -1.460
   67   2HD2  ASN   8          2HD2      ASN   8  10.649  -4.384  -0.599
   68    H    LEU   9           H        LEU   9   8.082  -2.304  -6.110
   69    HA   LEU   9           HA       LEU   9   9.593  -0.158  -6.955
   70   1HB   LEU   9          HB2       LEU   9   7.616  -1.637  -8.047
   71   2HB   LEU   9          HB1       LEU   9   6.747  -0.122  -7.817
   72    HG   LEU   9           HG       LEU   9   8.606   1.062  -9.011
   73   1HD1  LEU   9          1HD1      LEU   9   9.951  -0.715 -10.468
   74   2HD1  LEU   9          2HD1      LEU   9   9.636  -1.749  -9.074
   75   3HD1  LEU   9          3HD1      LEU   9  10.520  -0.236  -8.868
   76   1HD2  LEU   9          1HD2      LEU   9   6.484   0.135 -10.107
   77   2HD2  LEU   9          2HD2      LEU   9   7.478  -1.208 -10.669
   78   3HD2  LEU   9          3HD2      LEU   9   7.842   0.437 -11.191
   79    H    LEU  10           H        LEU  10   9.236   2.116  -7.156
   80    HA   LEU  10           HA       LEU  10   7.411   3.295  -5.098
   81   1HB   LEU  10          HB2       LEU  10   9.970   3.539  -4.816
   82   2HB   LEU  10          HB1       LEU  10   9.885   4.635  -6.196
   83    HG   LEU  10           HG       LEU  10   8.082   5.904  -4.927
   84   1HD1  LEU  10          1HD1      LEU  10   9.093   4.887  -2.352
   85   2HD1  LEU  10          2HD1      LEU  10   8.137   3.711  -3.254
   86   3HD1  LEU  10          3HD1      LEU  10   7.444   5.278  -2.840
   87   1HD2  LEU  10          1HD2      LEU  10   9.680   7.272  -3.928
   88   2HD2  LEU  10          2HD2      LEU  10  10.693   6.332  -5.024
   89   3HD2  LEU  10          3HD2      LEU  10  10.614   5.906  -3.314
   90    HA   PRO  11           HA       PRO  11   5.733   4.951  -8.979
   91   1HB   PRO  11          HB2       PRO  11   3.385   5.902  -7.908
   92   2HB   PRO  11          HB1       PRO  11   3.637   4.212  -8.380
   93   1HG   PRO  11          HG2       PRO  11   3.543   5.403  -5.651
   94   2HG   PRO  11          HG1       PRO  11   3.178   3.748  -6.168
   95   1HD   PRO  11          HD2       PRO  11   5.568   4.609  -4.913
   96   2HD   PRO  11          HD1       PRO  11   5.312   3.047  -5.715
   97    H    GLU  12           H        GLU  12   4.826   7.196  -9.573
   98    HA   GLU  12           HA       GLU  12   6.029   9.329  -7.851
   99   1HB   GLU  12          HB2       GLU  12   6.120   9.012 -10.863
  100   2HB   GLU  12          HB1       GLU  12   6.529  10.518 -10.041
  101   1HG   GLU  12          HG2       GLU  12   8.424   9.600  -9.022
  102   2HG   GLU  12          HG1       GLU  12   7.834   7.946  -9.187
  103    H    THR  13           H        THR  13   5.002  11.473  -8.175
  104    HA   THR  13           HA       THR  13   2.089  11.227  -8.394
  105    HB   THR  13           HB       THR  13   2.447  13.890  -8.123
  106    HG1  THR  13           HG1      THR  13   4.581  14.078  -8.086
  107   1HG2  THR  13          1HG2      THR  13   1.960  13.568  -5.857
  108   2HG2  THR  13          2HG2      THR  13   2.981  12.135  -5.743
  109   3HG2  THR  13          3HG2      THR  13   1.431  12.049  -6.580
  110    H    GLY  14           H        GLY  14   4.634  13.048 -10.119
  111   1HA   GLY  14          HA2       GLY  14   4.664  13.245 -12.547
  112   2HA   GLY  14          HA1       GLY  14   2.914  13.017 -12.551
  113    H    ARG  15           H        ARG  15   4.980  15.228 -10.652
  114    HA   ARG  15           HA       ARG  15   4.820  17.538 -10.285
  115   1HB   ARG  15          HB2       ARG  15   4.762  17.059 -13.169
  116   2HB   ARG  15          HB1       ARG  15   3.946  18.561 -12.741
  117   1HG   ARG  15          HG2       ARG  15   6.524  18.065 -11.357
  118   2HG   ARG  15          HG1       ARG  15   6.631  18.375 -13.090
  119   1HD   ARG  15          HD2       ARG  15   4.846  20.162 -11.506
  120   2HD   ARG  15          HD1       ARG  15   6.585  20.369 -11.293
  121    HE   ARG  15           HE       ARG  15   5.689  20.260 -14.089
  122   1HH1  ARG  15          1HH1      ARG  15   4.337  22.644 -13.055
  123   2HH1  ARG  15          2HH1      ARG  15   5.547  23.877 -13.181
  124   1HH2  ARG  15          1HH2      ARG  15   8.169  21.635 -13.526
  125   2HH2  ARG  15          2HH2      ARG  15   7.718  23.305 -13.451
  126    H    CYS  16           H        CYS  16   2.366  15.842  -9.932
  127    HA   CYS  16           HA       CYS  16   0.410  18.060  -9.793
  128   1HB   CYS  16          HB2       CYS  16  -0.252  15.328 -10.939
  129   2HB   CYS  16          HB1       CYS  16  -1.387  16.654 -10.683
  130    H    ASN  17           H        ASN  17  -0.500  18.059  -7.829
  131    HA   ASN  17           HA       ASN  17  -0.830  15.533  -6.309
  132   1HB   ASN  17          HB2       ASN  17   1.408  16.657  -5.734
  133   2HB   ASN  17          HB1       ASN  17   0.447  17.945  -5.010
  134   1HD2  ASN  17          1HD2      ASN  17   0.965  17.489  -2.794
  135   2HD2  ASN  17          2HD2      ASN  17   0.515  16.045  -2.024
  136    H    ALA  18           H        ALA  18  -2.529  15.589  -4.857
  137    HA   ALA  18           HA       ALA  18  -3.872  18.010  -4.016
  138   1HB   ALA  18          HB1       ALA  18  -5.039  18.272  -5.979
  139   2HB   ALA  18          HB2       ALA  18  -6.062  17.019  -5.273
  140   3HB   ALA  18          HB3       ALA  18  -4.823  16.586  -6.451
  141    H    LEU  19           H        LEU  19  -5.281  14.873  -4.905
  142    HA   LEU  19           HA       LEU  19  -4.954  13.469  -2.485
  143   1HB   LEU  19          HB2       LEU  19  -6.519  15.610  -1.892
  144   2HB   LEU  19          HB1       LEU  19  -7.756  14.464  -2.406
  145    HG   LEU  19           HG       LEU  19  -5.605  13.592  -0.497
  146   1HD1  LEU  19          1HD1      LEU  19  -8.243  14.667   0.469
  147   2HD1  LEU  19          2HD1      LEU  19  -6.873  15.755   0.239
  148   3HD1  LEU  19          3HD1      LEU  19  -6.751  14.411   1.374
  149   1HD2  LEU  19          1HD2      LEU  19  -7.897  12.355   0.231
  150   2HD2  LEU  19          2HD2      LEU  19  -6.828  11.722  -1.022
  151   3HD2  LEU  19          3HD2      LEU  19  -8.256  12.655  -1.469
  152    H    ILE  20           H        ILE  20  -5.323  11.416  -3.186
  153    HA   ILE  20           HA       ILE  20  -7.810  10.706  -4.533
  154    HB   ILE  20           HB       ILE  20  -5.148  10.316  -5.969
  155   1HG1  ILE  20          2HG1      ILE  20  -7.583  12.002  -6.669
  156   2HG1  ILE  20          1HG1      ILE  20  -5.991  12.608  -6.233
  157   1HG2  ILE  20          1HG2      ILE  20  -6.982   8.467  -6.065
  158   2HG2  ILE  20          2HG2      ILE  20  -6.306   9.045  -7.586
  159   3HG2  ILE  20          3HG2      ILE  20  -7.883   9.623  -7.045
  160   1HD1  ILE  20          1HD1      ILE  20  -6.791  11.131  -8.743
  161   2HD1  ILE  20          2HD1      ILE  20  -5.105  11.265  -8.243
  162   3HD1  ILE  20          3HD1      ILE  20  -6.036  12.719  -8.602
  163    HA   PRO  21           HA       PRO  21  -6.591   7.331  -1.923
  164   1HB   PRO  21          HB2       PRO  21  -8.556   5.523  -2.634
  165   2HB   PRO  21          HB1       PRO  21  -8.806   6.871  -1.511
  166   1HG   PRO  21          HG2       PRO  21  -9.678   6.606  -4.354
  167   2HG   PRO  21          HG1       PRO  21 -10.410   7.536  -3.033
  168   1HD   PRO  21          HD2       PRO  21  -8.825   8.615  -5.090
  169   2HD   PRO  21          HD1       PRO  21  -9.207   9.422  -3.555
  170    H    ALA  22           H        ALA  22  -4.684   7.331  -3.577
  171    HA   ALA  22           HA       ALA  22  -4.783   4.975  -5.376
  172   1HB   ALA  22          HB1       ALA  22  -2.445   6.833  -4.968
  173   2HB   ALA  22          HB2       ALA  22  -3.720   7.154  -6.146
  174   3HB   ALA  22          HB3       ALA  22  -2.723   5.707  -6.293
  175    H    PHE  23           H        PHE  23  -4.450   3.174  -4.331
  176    HA   PHE  23           HA       PHE  23  -2.583   3.115  -2.001
  177   1HB   PHE  23          HB2       PHE  23  -4.949   1.436  -2.806
  178   2HB   PHE  23          HB1       PHE  23  -3.835   0.930  -1.553
  179    HD1  PHE  23           HD1      PHE  23  -5.325   4.350  -2.336
  180    HD2  PHE  23           HD2      PHE  23  -4.904   1.099   0.477
  181    HE1  PHE  23           HE1      PHE  23  -6.606   5.635  -0.687
  182    HE2  PHE  23           HE2      PHE  23  -6.206   2.412   2.138
  183    HZ   PHE  23           HZ       PHE  23  -7.064   4.667   1.560
  184    H    TYR  24           H        TYR  24  -1.133   1.391  -1.758
  185    HA   TYR  24           HA       TYR  24  -0.968  -0.719  -3.721
  186   1HB   TYR  24          HB2       TYR  24   1.215  -0.290  -4.624
  187   2HB   TYR  24          HB1       TYR  24   0.175   1.089  -4.955
  188    HD1  TYR  24           HD1      TYR  24   0.829   3.220  -4.363
  189    HD2  TYR  24           HD2      TYR  24   2.704  -0.170  -2.499
  190    HE1  TYR  24           HE1      TYR  24   2.519   4.721  -3.305
  191    HE2  TYR  24           HE2      TYR  24   4.384   1.307  -1.459
  192    HH   TYR  24           HH       TYR  24   4.050   4.744  -1.442
  193    H    TYR  25           H        TYR  25   1.160  -2.070  -3.217
  194    HA   TYR  25           HA       TYR  25   1.054  -2.491  -0.286
  195   1HB   TYR  25          HB2       TYR  25   0.655  -4.328  -1.987
  196   2HB   TYR  25          HB1       TYR  25   2.377  -4.240  -2.337
  197    HD1  TYR  25           HD1      TYR  25  -0.159  -5.223   0.120
  198    HD2  TYR  25           HD2      TYR  25   4.050  -4.853  -0.647
  199    HE1  TYR  25           HE1      TYR  25   0.325  -6.681   2.064
  200    HE2  TYR  25           HE2      TYR  25   4.534  -6.313   1.296
  201    HH   TYR  25           HH       TYR  25   2.827  -8.314   2.551
  202    H    ASN  26           H        ASN  26   2.773  -2.480   1.021
  203    HA   ASN  26           HA       ASN  26   5.407  -1.589  -0.073
  204   1HB   ASN  26          HB2       ASN  26   3.770  -0.596   2.149
  205   2HB   ASN  26          HB1       ASN  26   5.413  -0.993   2.654
  206   1HD2  ASN  26          1HD2      ASN  26   3.520   1.425   1.149
  207   2HD2  ASN  26          2HD2      ASN  26   4.791   2.345   0.500
  208    H    SER  27           H        SER  27   7.101  -2.924   0.342
  209    HA   SER  27           HA       SER  27   6.713  -5.549   1.436
  210   1HB   SER  27          HB2       SER  27   8.904  -3.997   0.259
  211   2HB   SER  27          HB1       SER  27   9.450  -5.135   1.488
  212    HG   SER  27           HG       SER  27   8.302  -5.576  -0.993
  213    H    HIS  28           H        HIS  28   8.962  -3.041   2.663
  214    HA   HIS  28           HA       HIS  28   9.473  -4.172   5.181
  215   1HB   HIS  28          HB2       HIS  28   9.916  -1.635   3.895
  216   2HB   HIS  28          HB1       HIS  28   9.355  -1.334   5.540
  217    HD1  HIS  28           HD1      HIS  28  11.572  -0.746   6.632
  218    HD2  HIS  28           HD2      HIS  28  11.710  -4.372   4.582
  219    HE1  HIS  28           HE1      HIS  28  13.781  -1.828   7.239
  220    H    LEU  29           H        LEU  29   6.710  -2.293   4.120
  221    HA   LEU  29           HA       LEU  29   5.567  -1.947   6.775
  222   1HB   LEU  29          HB2       LEU  29   5.078  -0.421   4.843
  223   2HB   LEU  29          HB1       LEU  29   4.228  -1.750   4.058
  224    HG   LEU  29           HG       LEU  29   2.951  -1.835   6.398
  225   1HD1  LEU  29          1HD1      LEU  29   4.429   0.702   6.425
  226   2HD1  LEU  29          2HD1      LEU  29   3.578  -0.115   7.737
  227   3HD1  LEU  29          3HD1      LEU  29   2.693   0.932   6.626
  228   1HD2  LEU  29          1HD2      LEU  29   2.500  -0.023   4.021
  229   2HD2  LEU  29          2HD2      LEU  29   1.323  -0.118   5.332
  230   3HD2  LEU  29          3HD2      LEU  29   1.713  -1.558   4.390
  231    H    HIS  30           H        HIS  30   5.359  -4.282   4.176
  232    HA   HIS  30           HA       HIS  30   4.400  -6.414   4.062
  233   1HB   HIS  30          HB2       HIS  30   4.951  -5.912   6.914
  234   2HB   HIS  30          HB1       HIS  30   3.641  -7.064   6.658
  235    HD1  HIS  30           HD1      HIS  30   4.265  -9.372   5.736
  236    HD2  HIS  30           HD2      HIS  30   7.451  -6.684   5.740
  237    HE1  HIS  30           HE1      HIS  30   6.334 -10.718   5.156
  238    H    LYS  31           H        LYS  31   2.797  -3.968   3.843
  239    HA   LYS  31           HA       LYS  31   0.123  -5.159   4.007
  240   1HB   LYS  31          HB2       LYS  31   1.017  -2.961   5.862
  241   2HB   LYS  31          HB1       LYS  31  -0.659  -3.025   5.323
  242   1HG   LYS  31          HG2       LYS  31  -0.619  -5.493   6.073
  243   2HG   LYS  31          HG1       LYS  31   0.870  -5.078   6.922
  244   1HD   LYS  31          HD2       LYS  31  -0.244  -3.446   8.275
  245   2HD   LYS  31          HD1       LYS  31  -1.703  -3.533   7.288
  246   1HE   LYS  31          HE2       LYS  31  -1.982  -4.809   9.383
  247   2HE   LYS  31          HE1       LYS  31  -2.041  -5.876   7.980
  248   1HZ   LYS  31          HZ1       LYS  31  -0.633  -6.813   9.676
  249   2HZ   LYS  31          HZ2       LYS  31   0.313  -5.403   9.729
  250   3HZ   LYS  31          HZ3       LYS  31   0.313  -6.378   8.338
  251    H    CYS  32           H        CYS  32  -1.454  -3.046   3.529
  252    HA   CYS  32           HA       CYS  32  -0.397  -1.968   0.975
  253   1HB   CYS  32          HB2       CYS  32  -2.753  -3.003   1.232
  254   2HB   CYS  32          HB1       CYS  32  -3.172  -1.511   2.067
  255    H    GLN  33           H        GLN  33  -0.574   0.299   0.518
  256    HA   GLN  33           HA       GLN  33  -0.848   2.116   2.851
  257   1HB   GLN  33          HB2       GLN  33   1.577   1.620   2.596
  258   2HB   GLN  33          HB1       GLN  33   1.496   2.144   0.914
  259   1HG   GLN  33          HG2       GLN  33   0.579   4.370   1.828
  260   2HG   GLN  33          HG1       GLN  33   1.131   3.813   3.407
  261   1HE2  GLN  33          1HE2      GLN  33   3.199   4.571   3.885
  262   2HE2  GLN  33          2HE2      GLN  33   4.424   4.851   2.744
  263    H    LYS  34           H        LYS  34  -1.586   4.162   2.260
  264    HA   LYS  34           HA       LYS  34  -2.613   4.358  -0.523
  265   1HB   LYS  34          HB2       LYS  34  -4.210   5.961   0.363
  266   2HB   LYS  34          HB1       LYS  34  -4.189   4.557   1.423
  267   1HG   LYS  34          HG2       LYS  34  -3.969   6.105   3.077
  268   2HG   LYS  34          HG1       LYS  34  -2.269   6.079   2.605
  269   1HD   LYS  34          HD2       LYS  34  -2.744   8.362   2.506
  270   2HD   LYS  34          HD1       LYS  34  -3.024   7.868   0.837
  271   1HE   LYS  34          HE2       LYS  34  -5.480   7.396   1.833
  272   2HE   LYS  34          HE1       LYS  34  -4.981   8.692   2.920
  273   1HZ   LYS  34          HZ1       LYS  34  -5.328   8.747   0.002
  274   2HZ   LYS  34          HZ2       LYS  34  -4.228   9.818   0.731
  275   3HZ   LYS  34          HZ3       LYS  34  -5.869   9.852   1.169
  276    H    PHE  35           H        PHE  35  -2.114   6.190  -1.792
  277    HA   PHE  35           HA       PHE  35  -0.210   8.148  -0.649
  278   1HB   PHE  35          HB2       PHE  35   1.428   7.831  -2.318
  279   2HB   PHE  35          HB1       PHE  35   0.956   6.199  -1.858
  280    HD1  PHE  35           HD1      PHE  35  -0.185   4.731  -3.397
  281    HD2  PHE  35           HD2      PHE  35   0.674   8.804  -4.467
  282    HE1  PHE  35           HE1      PHE  35  -0.707   4.229  -5.759
  283    HE2  PHE  35           HE2      PHE  35   0.149   8.294  -6.839
  284    HZ   PHE  35           HZ       PHE  35  -0.543   6.001  -7.484
  285    H    ASN  36           H        ASN  36   0.090  10.038  -2.213
  286    HA   ASN  36           HA       ASN  36  -2.595  10.848  -3.148
  287   1HB   ASN  36          HB2       ASN  36  -0.860  12.175  -1.626
  288   2HB   ASN  36          HB1       ASN  36  -0.274  12.700  -3.202
  289   1HD2  ASN  36          1HD2      ASN  36  -2.062  13.973  -0.917
  290   2HD2  ASN  36          2HD2      ASN  36  -3.319  14.691  -1.802
  291    H    TYR  37           H        TYR  37  -3.088  11.379  -5.221
  292    HA   TYR  37           HA       TYR  37  -0.963  11.496  -7.289
  293   1HB   TYR  37          HB2       TYR  37  -1.859   9.115  -7.086
  294   2HB   TYR  37          HB1       TYR  37  -3.411   9.749  -7.636
  295    HD1  TYR  37           HD1      TYR  37   0.212  10.115  -8.583
  296    HD2  TYR  37           HD2      TYR  37  -3.834   9.537  -9.905
  297    HE1  TYR  37           HE1      TYR  37   0.993  10.027 -10.934
  298    HE2  TYR  37           HE2      TYR  37  -3.054   9.449 -12.253
  299    HH   TYR  37           HH       TYR  37  -0.525  10.580 -13.396
  300    H    GLY  38           H        GLY  38  -1.906  12.302  -9.395
  301   1HA   GLY  38          HA2       GLY  38  -4.329  14.003  -8.950
  302   2HA   GLY  38          HA1       GLY  38  -2.900  14.617  -9.783
  303    H    GLY  39           H        GLY  39  -2.212  13.222 -11.727
  304   1HA   GLY  39          HA2       GLY  39  -3.491  11.392 -13.216
  305   2HA   GLY  39          HA1       GLY  39  -4.603  12.750 -13.408
  306    H    CYS  40           H        CYS  40  -1.038  12.633 -13.267
  307    HA   CYS  40           HA       CYS  40  -0.952  13.837 -16.005
  308   1HB   CYS  40          HB2       CYS  40   0.958  14.520 -13.757
  309   2HB   CYS  40          HB1       CYS  40   0.811  15.318 -15.323
  310    H    GLY  41           H        GLY  41   0.960  12.160 -13.505
  311   1HA   GLY  41          HA2       GLY  41   2.006  10.270 -15.497
  312   2HA   GLY  41          HA1       GLY  41   3.220  11.339 -14.795
  313    H    GLY  42           H        GLY  42   1.689   8.389 -14.424
  314   1HA   GLY  42          HA2       GLY  42   2.696   8.139 -11.628
  315   2HA   GLY  42          HA1       GLY  42   1.053   7.611 -11.993
  316    H    ASN  43           H        ASN  43   3.512   6.087 -11.137
  317    HA   ASN  43           HA       ASN  43   4.312   4.433 -13.393
  318   1HB   ASN  43          HB2       ASN  43   4.611   4.021 -10.400
  319   2HB   ASN  43          HB1       ASN  43   5.391   3.033 -11.636
  320   1HD2  ASN  43          1HD2      ASN  43   7.584   3.664 -11.420
  321   2HD2  ASN  43          2HD2      ASN  43   8.119   5.268 -11.561
  322    H    ALA  44           H        ALA  44   4.128   1.850 -12.575
  323    HA   ALA  44           HA       ALA  44   1.339   1.197 -13.080
  324   1HB   ALA  44          HB1       ALA  44   3.909  -0.266 -12.825
  325   2HB   ALA  44          HB2       ALA  44   2.625  -0.450 -14.018
  326   3HB   ALA  44          HB3       ALA  44   2.459  -1.188 -12.423
  327    H    ASN  45           H        ASN  45   3.466   1.188 -10.269
  328    HA   ASN  45           HA       ASN  45   1.718  -0.302  -8.533
  329   1HB   ASN  45          HB2       ASN  45   4.199   1.286  -8.260
  330   2HB   ASN  45          HB1       ASN  45   3.188   1.232  -6.816
  331   1HD2  ASN  45          1HD2      ASN  45   2.690  -0.938  -5.908
  332   2HD2  ASN  45          2HD2      ASN  45   3.697  -2.257  -6.265
  333    H    ASN  46           H        ASN  46  -0.364   0.523  -8.546
  334    HA   ASN  46           HA       ASN  46  -1.026   2.614  -6.758
  335   1HB   ASN  46          HB2       ASN  46  -1.877   4.326  -8.344
  336   2HB   ASN  46          HB1       ASN  46  -0.128   4.137  -8.456
  337   1HD2  ASN  46          1HD2      ASN  46  -3.164   3.678 -10.175
  338   2HD2  ASN  46          2HD2      ASN  46  -2.476   3.182 -11.646
  339    H    PHE  47           H        PHE  47  -2.910   1.876  -6.024
  340    HA   PHE  47           HA       PHE  47  -4.848   0.671  -7.983
  341   1HB   PHE  47          HB2       PHE  47  -4.674   0.105  -5.012
  342   2HB   PHE  47          HB1       PHE  47  -5.647  -0.756  -6.205
  343    HD1  PHE  47           HD1      PHE  47  -2.814  -1.043  -4.302
  344    HD2  PHE  47           HD2      PHE  47  -4.075  -1.449  -8.386
  345    HE1  PHE  47           HE1      PHE  47  -0.893  -2.560  -4.751
  346    HE2  PHE  47           HE2      PHE  47  -2.160  -2.959  -8.837
  347    HZ   PHE  47           HZ       PHE  47  -0.568  -3.516  -7.017
  348    H    LYS  48           H        LYS  48  -7.053   0.632  -6.162
  349    HA   LYS  48           HA       LYS  48  -7.605   3.560  -5.902
  350   1HB   LYS  48          HB2       LYS  48  -9.259   1.242  -6.811
  351   2HB   LYS  48          HB1       LYS  48 -10.075   2.551  -5.954
  352   1HG   LYS  48          HG2       LYS  48 -10.193   3.338  -8.137
  353   2HG   LYS  48          HG1       LYS  48  -8.678   4.072  -7.613
  354   1HD   LYS  48          HD2       LYS  48  -7.625   1.817  -8.476
  355   2HD   LYS  48          HD1       LYS  48  -9.113   1.715  -9.418
  356   1HE   LYS  48          HE2       LYS  48  -7.388   4.199  -9.399
  357   2HE   LYS  48          HE1       LYS  48  -7.140   2.888 -10.554
  358   1HZ   LYS  48          HZ1       LYS  48  -9.692   4.354 -10.160
  359   2HZ   LYS  48          HZ2       LYS  48  -9.400   3.138 -11.308
  360   3HZ   LYS  48          HZ3       LYS  48  -8.596   4.629 -11.426
  361    H    THR  49           H        THR  49  -7.661   0.446  -4.280
  362    HA   THR  49           HA       THR  49  -8.000   1.753  -1.691
  363    HB   THR  49           HB       THR  49  -9.885   0.049  -1.149
  364    HG1  THR  49           HG1      THR  49 -11.077  -0.593  -2.895
  365   1HG2  THR  49          1HG2      THR  49 -11.561   1.670  -1.666
  366   2HG2  THR  49          2HG2      THR  49 -10.614   2.318  -3.005
  367   3HG2  THR  49          3HG2      THR  49 -10.081   2.572  -1.343
  368    H    ILE  50           H        ILE  50  -8.347  -0.321  -0.076
  369    HA   ILE  50           HA       ILE  50  -5.885  -1.818  -0.252
  370    HB   ILE  50           HB       ILE  50  -6.672  -2.854   1.863
  371   1HG1  ILE  50          2HG1      ILE  50  -9.109  -1.082   1.587
  372   2HG1  ILE  50          1HG1      ILE  50  -9.127  -2.784   1.122
  373   1HG2  ILE  50          1HG2      ILE  50  -7.189  -0.414   2.926
  374   2HG2  ILE  50          2HG2      ILE  50  -6.525   0.068   1.365
  375   3HG2  ILE  50          3HG2      ILE  50  -5.572  -0.939   2.456
  376   1HD1  ILE  50          1HD1      ILE  50  -9.921  -2.400   3.468
  377   2HD1  ILE  50          2HD1      ILE  50  -8.320  -1.772   3.864
  378   3HD1  ILE  50          3HD1      ILE  50  -8.511  -3.458   3.379
  379    H    ASP  51           H        ASP  51  -9.197  -2.448  -1.161
  380    HA   ASP  51           HA       ASP  51  -9.201  -5.299  -1.098
  381   1HB   ASP  51          HB2       ASP  51 -11.140  -3.592  -1.532
  382   2HB   ASP  51          HB1       ASP  51 -10.661  -3.754  -3.224
  383    H    GLU  52           H        GLU  52  -8.912  -3.282  -4.053
  384    HA   GLU  52           HA       GLU  52  -7.898  -5.383  -5.704
  385   1HB   GLU  52          HB2       GLU  52  -8.027  -2.407  -5.859
  386   2HB   GLU  52          HB1       GLU  52  -6.888  -3.213  -6.936
  387   1HG   GLU  52          HG2       GLU  52  -9.526  -4.518  -6.834
  388   2HG   GLU  52          HG1       GLU  52  -9.582  -2.865  -7.445
  389    H    CYS  53           H        CYS  53  -6.353  -3.138  -3.510
  390    HA   CYS  53           HA       CYS  53  -3.624  -3.528  -4.321
  391   1HB   CYS  53          HB2       CYS  53  -4.235  -1.608  -2.995
  392   2HB   CYS  53          HB1       CYS  53  -4.932  -2.629  -1.746
  393    H    GLN  54           H        GLN  54  -5.796  -5.253  -2.161
  394    HA   GLN  54           HA       GLN  54  -3.785  -6.868  -0.862
  395   1HB   GLN  54          HB2       GLN  54  -6.066  -6.467   0.055
  396   2HB   GLN  54          HB1       GLN  54  -6.734  -7.444  -1.251
  397   1HG   GLN  54          HG2       GLN  54  -5.353  -9.369  -0.479
  398   2HG   GLN  54          HG1       GLN  54  -4.784  -8.389   0.873
  399   1HE2  GLN  54          1HE2      GLN  54  -7.861  -9.557  -0.607
  400   2HE2  GLN  54          2HE2      GLN  54  -8.701  -9.663   0.865
  401    H    ARG  55           H        ARG  55  -6.155  -7.677  -3.426
  402    HA   ARG  55           HA       ARG  55  -5.278 -10.308  -3.939
  403   1HB   ARG  55          HB2       ARG  55  -6.807  -8.256  -5.456
  404   2HB   ARG  55          HB1       ARG  55  -6.178  -9.624  -6.373
  405   1HG   ARG  55          HG2       ARG  55  -7.324 -10.585  -3.902
  406   2HG   ARG  55          HG1       ARG  55  -8.495  -9.559  -4.728
  407   1HD   ARG  55          HD2       ARG  55  -6.978 -11.702  -6.214
  408   2HD   ARG  55          HD1       ARG  55  -8.466 -12.069  -5.343
  409    HE   ARG  55           HE       ARG  55  -8.496  -9.883  -7.363
  410   1HH1  ARG  55          1HH1      ARG  55  -8.507 -12.493  -8.743
  411   2HH1  ARG  55          2HH1      ARG  55 -10.190 -12.900  -8.793
  412   1HH2  ARG  55          1HH2      ARG  55 -11.085 -10.621  -6.337
  413   2HH2  ARG  55          2HH2      ARG  55 -11.650 -11.841  -7.429
  414    H    THR  56           H        THR  56  -4.407  -7.416  -5.884
  415    HA   THR  56           HA       THR  56  -2.600  -8.747  -7.596
  416    HB   THR  56           HB       THR  56  -3.466  -6.553  -8.128
  417    HG1  THR  56           HG1      THR  56  -1.489  -5.590  -8.736
  418   1HG2  THR  56          1HG2      THR  56  -3.160  -4.663  -6.840
  419   2HG2  THR  56          2HG2      THR  56  -1.645  -5.250  -6.153
  420   3HG2  THR  56          3HG2      THR  56  -3.181  -5.893  -5.575
  421    H    CYS  57           H        CYS  57  -1.713  -6.882  -4.610
  422    HA   CYS  57           HA       CYS  57   1.061  -7.889  -4.905
  423   1HB   CYS  57          HB2       CYS  57  -0.243  -5.722  -3.343
  424   2HB   CYS  57          HB1       CYS  57   1.163  -6.486  -2.603
  425    H    ALA  58           H        ALA  58  -1.516  -7.951  -2.419
  426    HA   ALA  58           HA       ALA  58  -0.084 -10.065  -0.925
  427   1HB   ALA  58          HB1       ALA  58  -1.626  -9.701   0.800
  428   2HB   ALA  58          HB2       ALA  58  -2.887  -9.163  -0.308
  429   3HB   ALA  58          HB3       ALA  58  -1.527  -8.103   0.061
  430    H    ALA  59           H        ALA  59  -2.176 -11.683  -0.063
  431    HA   ALA  59           HA       ALA  59  -3.958 -12.613  -2.082
  432   1HB   ALA  59          HB1       ALA  59  -2.747 -14.700  -2.752
  433   2HB   ALA  59          HB2       ALA  59  -1.310 -14.083  -1.937
  434   3HB   ALA  59          HB3       ALA  59  -1.965 -13.232  -3.336
  435    H    LYS  60           H        LYS  60  -4.866 -14.772  -1.531
  436    HA   LYS  60           HA       LYS  60  -4.365 -15.665   1.265
  437   1HB   LYS  60          HB2       LYS  60  -6.482 -14.001   0.638
  438   2HB   LYS  60          HB1       LYS  60  -7.216 -15.599   0.502
  439   1HG   LYS  60          HG2       LYS  60  -7.357 -15.707   2.746
  440   2HG   LYS  60          HG1       LYS  60  -5.598 -15.641   2.845
  441   1HD   LYS  60          HD2       LYS  60  -5.627 -13.224   2.931
  442   2HD   LYS  60          HD1       LYS  60  -7.361 -13.188   2.609
  443   1HE   LYS  60          HE2       LYS  60  -7.352 -14.790   4.781
  444   2HE   LYS  60          HE1       LYS  60  -5.919 -13.823   5.130
  445   1HZ   LYS  60          HZ1       LYS  60  -8.713 -12.967   4.839
  446   2HZ   LYS  60          HZ2       LYS  60  -7.471 -11.872   4.462
  447   3HZ   LYS  60          HZ3       LYS  60  -7.575 -12.539   6.020
  448    H    TYR  61           H        TYR  61  -3.428 -16.949  -0.931
  449    HA   TYR  61           HA       TYR  61  -5.004 -18.796  -2.323
  450   1HB   TYR  61          HB2       TYR  61  -2.209 -19.246  -1.239
  451   2HB   TYR  61          HB1       TYR  61  -2.959 -20.129  -2.569
  452    HD1  TYR  61           HD1      TYR  61  -4.192 -18.316  -4.287
  453    HD2  TYR  61           HD2      TYR  61  -0.648 -17.675  -1.948
  454    HE1  TYR  61           HE1      TYR  61  -3.467 -16.553  -5.870
  455    HE2  TYR  61           HE2      TYR  61   0.079 -15.911  -3.533
  456    HH   TYR  61           HH       TYR  61  -0.300 -15.241  -5.830
  457    H    GLY  62           H        GLY  62  -4.608 -21.288  -1.945
  458   1HA   GLY  62          HA2       GLY  62  -4.583 -22.336   0.730
  459   2HA   GLY  62          HA1       GLY  62  -6.247 -22.187   0.155
  460    H    ARG  63           H        ARG  63  -6.223 -24.609   0.288
  461    HA   ARG  63           HA       ARG  63  -4.917 -25.825  -2.117
  462   1HB   ARG  63          HB2       ARG  63  -4.440 -26.573   0.440
  463   2HB   ARG  63          HB1       ARG  63  -5.832 -27.595   0.085
  464   1HG   ARG  63          HG2       ARG  63  -4.375 -29.009  -0.911
  465   2HG   ARG  63          HG1       ARG  63  -4.277 -27.826  -2.212
  466   1HD   ARG  63          HD2       ARG  63  -2.075 -27.677  -1.732
  467   2HD   ARG  63          HD1       ARG  63  -2.549 -26.811  -0.271
  468    HE   ARG  63           HE       ARG  63  -2.207 -29.785  -0.307
  469   1HH1  ARG  63          1HH1      ARG  63   0.082 -27.817   0.363
  470   2HH1  ARG  63          2HH1      ARG  63   0.043 -27.876   2.093
  471   1HH2  ARG  63          1HH2      ARG  63  -3.097 -29.340   2.236
  472   2HH2  ARG  63          2HH2      ARG  63  -1.762 -28.729   3.155
  473    H    SER  64           H        SER  64  -6.179 -27.161  -3.428
  474    HA   SER  64           HA       SER  64  -9.087 -26.735  -3.263
  475   1HB   SER  64          HB2       SER  64  -8.997 -28.142  -5.428
  476   2HB   SER  64          HB1       SER  64  -8.233 -26.555  -5.468
  477    HG   SER  64           HG       SER  64  -6.905 -29.004  -4.898
  478    H    SER  65           H        SER  65 -10.596 -28.578  -3.414
  479    HA   SER  65           HA       SER  65 -11.463 -30.600  -2.597
  480   1HB   SER  65          HB2       SER  65  -8.660 -31.676  -2.964
  481   2HB   SER  65          HB1       SER  65 -10.174 -32.574  -3.023
  482    HG   SER  65           HG       SER  65 -10.535 -31.850  -4.990
  Start of MODEL    5
    1   1H    LYS   1          HT1       LYS   1   8.626 -17.396 -13.643
    2   2H    LYS   1          HT2       LYS   1   8.652 -17.100 -11.970
    3   3H    LYS   1          HT3       LYS   1   9.093 -15.873 -13.061
    4    HA   LYS   1           HA       LYS   1   6.414 -17.053 -13.266
    5   1HB   LYS   1          HB2       LYS   1   5.587 -15.360 -11.640
    6   2HB   LYS   1          HB1       LYS   1   6.638 -16.555 -10.879
    7   1HG   LYS   1          HG2       LYS   1   8.501 -14.734 -11.561
    8   2HG   LYS   1          HG1       LYS   1   7.116 -13.658 -11.384
    9   1HD   LYS   1          HD2       LYS   1   6.731 -14.414  -9.123
   10   2HD   LYS   1          HD1       LYS   1   7.943 -15.686  -9.291
   11   1HE   LYS   1          HE2       LYS   1   8.811 -13.706  -8.049
   12   2HE   LYS   1          HE1       LYS   1   9.711 -14.017  -9.533
   13   1HZ   LYS   1          HZ1       LYS   1   8.725 -12.240 -10.606
   14   2HZ   LYS   1          HZ2       LYS   1   8.942 -11.636  -9.032
   15   3HZ   LYS   1          HZ3       LYS   1   7.411 -12.174  -9.535
   16    H    ASN   2           H        ASN   2   4.949 -14.951 -13.644
   17    HA   ASN   2           HA       ASN   2   6.405 -13.099 -15.487
   18   1HB   ASN   2          HB2       ASN   2   4.350 -13.192 -16.957
   19   2HB   ASN   2          HB1       ASN   2   5.261 -14.700 -16.892
   20   1HD2  ASN   2          1HD2      ASN   2   3.899 -16.472 -16.673
   21   2HD2  ASN   2          2HD2      ASN   2   2.439 -16.485 -15.808
   22    H    ARG   3           H        ARG   3   5.441 -12.828 -12.664
   23    HA   ARG   3           HA       ARG   3   3.204 -10.901 -12.855
   24   1HB   ARG   3          HB2       ARG   3   4.731 -12.180 -10.593
   25   2HB   ARG   3          HB1       ARG   3   3.727 -10.761 -10.300
   26   1HG   ARG   3          HG2       ARG   3   2.162 -12.431  -9.947
   27   2HG   ARG   3          HG1       ARG   3   1.939 -12.168 -11.676
   28   1HD   ARG   3          HD2       ARG   3   2.243 -14.441 -11.751
   29   2HD   ARG   3          HD1       ARG   3   3.944 -13.975 -11.762
   30    HE   ARG   3           HE       ARG   3   3.909 -14.349  -9.266
   31   1HH1  ARG   3          1HH1      ARG   3   0.763 -14.734  -9.749
   32   2HH1  ARG   3          2HH1      ARG   3   0.650 -16.414  -9.343
   33   1HH2  ARG   3          1HH2      ARG   3   4.075 -16.940  -9.417
   34   2HH2  ARG   3          2HH2      ARG   3   2.524 -17.660  -9.146
   35    HA   PRO   4           HA       PRO   4   5.817  -7.318 -12.798
   36   1HB   PRO   4          HB2       PRO   4   4.300  -5.561 -11.333
   37   2HB   PRO   4          HB1       PRO   4   3.914  -6.017 -13.004
   38   1HG   PRO   4          HG2       PRO   4   2.610  -6.888 -10.461
   39   2HG   PRO   4          HG1       PRO   4   1.912  -6.732 -12.083
   40   1HD   PRO   4          HD2       PRO   4   2.693  -9.151 -10.874
   41   2HD   PRO   4          HD1       PRO   4   2.391  -8.916 -12.610
   42    H    THR   5           H        THR   5   4.314  -7.988  -9.657
   43    HA   THR   5           HA       THR   5   5.105  -7.915  -7.477
   44    HB   THR   5           HB       THR   5   7.943  -8.108  -8.431
   45    HG1  THR   5           HG1      THR   5   6.040 -10.209  -8.581
   46   1HG2  THR   5          1HG2      THR   5   7.373  -8.183  -6.035
   47   2HG2  THR   5          2HG2      THR   5   8.038  -9.725  -6.576
   48   3HG2  THR   5          3HG2      THR   5   6.299  -9.548  -6.336
   49    H    PHE   6           H        PHE   6   4.935  -5.452  -9.120
   50    HA   PHE   6           HA       PHE   6   7.047  -3.643  -8.545
   51   1HB   PHE   6          HB2       PHE   6   5.174  -1.858  -8.737
   52   2HB   PHE   6          HB1       PHE   6   5.571  -2.822 -10.148
   53    HD1  PHE   6           HD1      PHE   6   3.343  -2.148 -11.057
   54    HD2  PHE   6           HD2      PHE   6   3.671  -4.528  -7.503
   55    HE1  PHE   6           HE1      PHE   6   0.963  -2.797 -11.252
   56    HE2  PHE   6           HE2      PHE   6   1.317  -5.195  -7.710
   57    HZ   PHE   6           HZ       PHE   6  -0.056  -4.323  -9.585
   58    H    CYS   7           H        CYS   7   5.008  -5.144  -6.272
   59    HA   CYS   7           HA       CYS   7   4.381  -3.172  -4.363
   60   1HB   CYS   7          HB2       CYS   7   5.416  -5.992  -3.895
   61   2HB   CYS   7          HB1       CYS   7   4.595  -5.004  -2.689
   62    H    ASN   8           H        ASN   8   7.492  -4.554  -5.213
   63    HA   ASN   8           HA       ASN   8   8.841  -3.039  -3.024
   64   1HB   ASN   8          HB2       ASN   8   9.886  -5.177  -4.919
   65   2HB   ASN   8          HB1       ASN   8  10.844  -4.388  -3.664
   66   1HD2  ASN   8          1HD2      ASN   8   8.066  -6.568  -4.182
   67   2HD2  ASN   8          2HD2      ASN   8   8.069  -7.211  -2.611
   68    H    LEU   9           H        LEU   9   7.616  -1.788  -5.357
   69    HA   LEU   9           HA       LEU   9  10.016  -0.700  -6.776
   70   1HB   LEU   9          HB2       LEU   9   8.104  -1.995  -8.034
   71   2HB   LEU   9          HB1       LEU   9   7.208  -0.490  -7.831
   72    HG   LEU   9           HG       LEU   9   9.143   0.725  -8.880
   73   1HD1  LEU   9          1HD1      LEU   9  11.006  -0.671  -8.599
   74   2HD1  LEU   9          2HD1      LEU   9  10.600  -0.929 -10.295
   75   3HD1  LEU   9          3HD1      LEU   9  10.116  -2.115  -9.083
   76   1HD2  LEU   9          1HD2      LEU   9   8.711  -0.353 -11.211
   77   2HD2  LEU   9          2HD2      LEU   9   7.331   0.321 -10.344
   78   3HD2  LEU   9          3HD2      LEU   9   7.605  -1.422 -10.345
   79    H    LEU  10           H        LEU  10  10.050   1.578  -7.133
   80    HA   LEU  10           HA       LEU  10   8.421   3.143  -5.192
   81   1HB   LEU  10          HB2       LEU  10  10.983   3.809  -6.670
   82   2HB   LEU  10          HB1       LEU  10  10.139   4.922  -5.594
   83    HG   LEU  10           HG       LEU  10  10.795   2.190  -4.569
   84   1HD1  LEU  10          1HD1      LEU  10  12.758   4.390  -5.158
   85   2HD1  LEU  10          2HD1      LEU  10  12.953   2.646  -5.338
   86   3HD1  LEU  10          3HD1      LEU  10  12.988   3.376  -3.733
   87   1HD2  LEU  10          1HD2      LEU  10   9.466   3.768  -3.224
   88   2HD2  LEU  10          2HD2      LEU  10  10.746   4.973  -3.358
   89   3HD2  LEU  10          3HD2      LEU  10  11.032   3.480  -2.465
   90    HA   PRO  11           HA       PRO  11   6.355   4.432  -9.027
   91   1HB   PRO  11          HB2       PRO  11   4.163   5.559  -7.822
   92   2HB   PRO  11          HB1       PRO  11   4.325   3.823  -8.137
   93   1HG   PRO  11          HG2       PRO  11   4.573   5.292  -5.555
   94   2HG   PRO  11          HG1       PRO  11   4.092   3.613  -5.848
   95   1HD   PRO  11          HD2       PRO  11   6.634   4.473  -4.956
   96   2HD   PRO  11          HD1       PRO  11   6.241   2.858  -5.582
   97    H    GLU  12           H        GLU  12   4.970   6.744  -9.293
   98    HA   GLU  12           HA       GLU  12   6.484   8.976  -8.069
   99   1HB   GLU  12          HB2       GLU  12   6.663   8.120 -10.921
  100   2HB   GLU  12          HB1       GLU  12   6.563   9.853 -10.607
  101   1HG   GLU  12          HG2       GLU  12   8.500   8.122  -9.079
  102   2HG   GLU  12          HG1       GLU  12   8.919   8.752 -10.672
  103    H    THR  13           H        THR  13   5.206  10.776  -7.838
  104    HA   THR  13           HA       THR  13   2.360  10.555  -8.464
  105    HB   THR  13           HB       THR  13   2.491  13.037  -7.543
  106    HG1  THR  13           HG1      THR  13   4.670  13.315  -7.528
  107   1HG2  THR  13          1HG2      THR  13   2.399  12.116  -5.251
  108   2HG2  THR  13          2HG2      THR  13   3.048  10.589  -5.848
  109   3HG2  THR  13          3HG2      THR  13   1.458  11.141  -6.378
  110    H    GLY  14           H        GLY  14   5.121  12.436  -9.634
  111   1HA   GLY  14          HA2       GLY  14   5.339  13.165 -11.924
  112   2HA   GLY  14          HA1       GLY  14   3.585  13.097 -12.091
  113    H    ARG  15           H        ARG  15   5.370  14.625  -9.458
  114    HA   ARG  15           HA       ARG  15   5.416  16.840  -8.690
  115   1HB   ARG  15          HB2       ARG  15   6.416  16.990 -11.111
  116   2HB   ARG  15          HB1       ARG  15   4.882  17.766 -11.504
  117   1HG   ARG  15          HG2       ARG  15   5.254  19.520  -9.925
  118   2HG   ARG  15          HG1       ARG  15   6.599  18.658  -9.179
  119   1HD   ARG  15          HD2       ARG  15   6.768  19.304 -12.098
  120   2HD   ARG  15          HD1       ARG  15   7.045  20.598 -10.933
  121    HE   ARG  15           HE       ARG  15   8.751  18.866  -9.923
  122   1HH1  ARG  15          1HH2      ARG  15   7.966  17.468 -12.708
  123   2HH1  ARG  15          2HH2      ARG  15   9.458  17.731 -13.548
  124   1HH2  ARG  15          1HH1      ARG  15  10.678  19.988 -11.216
  125   2HH2  ARG  15          2HH1      ARG  15  10.996  19.154 -12.700
  126    H    CYS  16           H        CYS  16   2.851  15.379  -8.882
  127    HA   CYS  16           HA       CYS  16   1.038  17.719  -8.688
  128   1HB   CYS  16          HB2       CYS  16   0.224  15.164 -10.092
  129   2HB   CYS  16          HB1       CYS  16  -0.692  16.667  -9.974
  130    H    ASN  17           H        ASN  17  -0.043  17.622  -6.829
  131    HA   ASN  17           HA       ASN  17  -0.744  15.010  -5.603
  132   1HB   ASN  17          HB2       ASN  17   0.847  17.189  -4.218
  133   2HB   ASN  17          HB1       ASN  17   0.109  15.820  -3.387
  134   1HD2  ASN  17          1HD2      ASN  17   1.461  14.044  -3.148
  135   2HD2  ASN  17          2HD2      ASN  17   2.805  13.701  -4.126
  136    H    ALA  18           H        ALA  18  -2.529  15.134  -4.191
  137    HA   ALA  18           HA       ALA  18  -3.736  17.631  -3.367
  138   1HB   ALA  18          HB1       ALA  18  -4.664  17.994  -5.456
  139   2HB   ALA  18          HB2       ALA  18  -5.908  16.952  -4.763
  140   3HB   ALA  18          HB3       ALA  18  -4.698  16.275  -5.853
  141    H    LEU  19           H        LEU  19  -5.425  14.681  -4.406
  142    HA   LEU  19           HA       LEU  19  -5.364  13.237  -1.962
  143   1HB   LEU  19          HB2       LEU  19  -6.706  15.476  -1.419
  144   2HB   LEU  19          HB1       LEU  19  -8.027  14.588  -2.177
  145    HG   LEU  19           HG       LEU  19  -6.360  13.187  -0.123
  146   1HD1  LEU  19          1HD1      LEU  19  -8.755  14.762   0.752
  147   2HD1  LEU  19          2HD1      LEU  19  -7.203  15.588   0.614
  148   3HD1  LEU  19          3HD1      LEU  19  -7.374  14.209   1.700
  149   1HD2  LEU  19          1HD2      LEU  19  -8.019  11.868  -1.249
  150   2HD2  LEU  19          2HD2      LEU  19  -9.239  13.127  -1.063
  151   3HD2  LEU  19          3HD2      LEU  19  -8.678  12.226   0.346
  152    H    ILE  20           H        ILE  20  -5.642  11.270  -2.925
  153    HA   ILE  20           HA       ILE  20  -8.163  10.647  -4.259
  154    HB   ILE  20           HB       ILE  20  -5.516  10.661  -5.764
  155   1HG1  ILE  20          2HG1      ILE  20  -7.417  11.533  -7.490
  156   2HG1  ILE  20          1HG1      ILE  20  -8.155  12.017  -5.966
  157   1HG2  ILE  20          1HG2      ILE  20  -8.048   9.283  -6.709
  158   2HG2  ILE  20          2HG2      ILE  20  -6.701   8.410  -5.981
  159   3HG2  ILE  20          3HG2      ILE  20  -6.471   9.283  -7.493
  160   1HD1  ILE  20          1HD1      ILE  20  -6.838  13.857  -6.123
  161   2HD1  ILE  20          2HD1      ILE  20  -5.793  13.109  -7.330
  162   3HD1  ILE  20          3HD1      ILE  20  -5.527  12.792  -5.615
  163    HA   PRO  21           HA       PRO  21  -7.007   7.099  -1.927
  164   1HB   PRO  21          HB2       PRO  21  -8.778   5.258  -2.960
  165   2HB   PRO  21          HB1       PRO  21  -9.218   6.503  -1.781
  166   1HG   PRO  21          HG2       PRO  21  -9.755   6.422  -4.722
  167   2HG   PRO  21          HG1       PRO  21 -10.710   7.162  -3.424
  168   1HD   PRO  21          HD2       PRO  21  -9.030   8.567  -5.163
  169   2HD   PRO  21          HD1       PRO  21  -9.584   9.166  -3.584
  170    H    ALA  22           H        ALA  22  -4.915   7.273  -3.271
  171    HA   ALA  22           HA       ALA  22  -4.694   5.109  -5.305
  172   1HB   ALA  22          HB1       ALA  22  -3.582   7.597  -5.317
  173   2HB   ALA  22          HB2       ALA  22  -2.870   6.204  -6.130
  174   3HB   ALA  22          HB3       ALA  22  -2.298   6.676  -4.532
  175    H    PHE  23           H        PHE  23  -3.932   3.197  -4.637
  176    HA   PHE  23           HA       PHE  23  -2.509   3.043  -2.000
  177   1HB   PHE  23          HB2       PHE  23  -4.843   1.445  -3.039
  178   2HB   PHE  23          HB1       PHE  23  -3.821   0.845  -1.757
  179    HD1  PHE  23           HD1      PHE  23  -5.610   4.115  -2.569
  180    HD2  PHE  23           HD2      PHE  23  -4.623   1.118   0.373
  181    HE1  PHE  23           HE1      PHE  23  -6.969   5.315  -0.902
  182    HE2  PHE  23           HE2      PHE  23  -6.004   2.333   2.040
  183    HZ   PHE  23           HZ       PHE  23  -7.176   4.425   1.405
  184    H    TYR  24           H        TYR  24  -0.898   1.497  -1.855
  185    HA   TYR  24           HA       TYR  24  -0.705  -0.651  -3.817
  186   1HB   TYR  24          HB2       TYR  24   1.515  -0.165  -4.652
  187   2HB   TYR  24          HB1       TYR  24   0.437   1.173  -5.029
  188    HD1  TYR  24           HD1      TYR  24   0.975   3.323  -4.418
  189    HD2  TYR  24           HD2      TYR  24   2.931   0.032  -2.488
  190    HE1  TYR  24           HE1      TYR  24   2.523   4.908  -3.274
  191    HE2  TYR  24           HE2      TYR  24   4.480   1.588  -1.358
  192    HH   TYR  24           HH       TYR  24   5.145   4.482  -2.224
  193    H    TYR  25           H        TYR  25   1.473  -1.928  -3.306
  194    HA   TYR  25           HA       TYR  25   1.329  -2.425  -0.393
  195   1HB   TYR  25          HB2       TYR  25   1.142  -4.197  -2.260
  196   2HB   TYR  25          HB1       TYR  25   2.893  -4.065  -2.355
  197    HD1  TYR  25           HD1      TYR  25   4.286  -4.534  -0.311
  198    HD2  TYR  25           HD2      TYR  25   0.069  -5.329  -0.459
  199    HE1  TYR  25           HE1      TYR  25   4.497  -6.020   1.664
  200    HE2  TYR  25           HE2      TYR  25   0.278  -6.812   1.515
  201    HH   TYR  25           HH       TYR  25   1.747  -7.222   3.366
  202    H    ASN  26           H        ASN  26   2.944  -2.193   0.980
  203    HA   ASN  26           HA       ASN  26   5.584  -1.190  -0.007
  204   1HB   ASN  26          HB2       ASN  26   4.186   0.461   1.306
  205   2HB   ASN  26          HB1       ASN  26   4.317  -0.625   2.690
  206   1HD2  ASN  26          1HD2      ASN  26   5.765   0.492   4.049
  207   2HD2  ASN  26          2HD2      ASN  26   7.312   1.005   3.573
  208    H    SER  27           H        SER  27   7.318  -2.410   0.541
  209    HA   SER  27           HA       SER  27   7.023  -4.959   1.845
  210   1HB   SER  27          HB2       SER  27   8.793  -4.143   0.099
  211   2HB   SER  27          HB1       SER  27   9.678  -3.585   1.517
  212    HG   SER  27           HG       SER  27   9.662  -5.990   0.547
  213    H    HIS  28           H        HIS  28   8.511  -1.883   2.899
  214    HA   HIS  28           HA       HIS  28   9.488  -2.732   5.422
  215   1HB   HIS  28          HB2       HIS  28   9.698  -0.430   4.156
  216   2HB   HIS  28          HB1       HIS  28   8.272  -0.005   5.103
  217    HD1  HIS  28           HD1      HIS  28   9.151  -1.750   7.645
  218    HD2  HIS  28           HD2      HIS  28  11.481   1.123   5.720
  219    HE1  HIS  28           HE1      HIS  28  10.871  -0.977   9.332
  220    H    LEU  29           H        LEU  29   6.294  -1.449   4.527
  221    HA   LEU  29           HA       LEU  29   5.239  -1.700   7.236
  222   1HB   LEU  29          HB2       LEU  29   4.428   0.013   5.596
  223   2HB   LEU  29          HB1       LEU  29   3.755  -1.292   4.621
  224    HG   LEU  29           HG       LEU  29   2.597  -1.959   6.913
  225   1HD1  LEU  29          1HD1      LEU  29   1.932   0.454   7.863
  226   2HD1  LEU  29          2HD1      LEU  29   3.553   0.841   7.290
  227   3HD1  LEU  29          3HD1      LEU  29   3.322  -0.436   8.484
  228   1HD2  LEU  29          1HD2      LEU  29   1.473  -1.290   4.785
  229   2HD2  LEU  29          2HD2      LEU  29   1.657   0.401   5.253
  230   3HD2  LEU  29          3HD2      LEU  29   0.638  -0.674   6.212
  231    H    HIS  30           H        HIS  30   5.440  -3.723   4.405
  232    HA   HIS  30           HA       HIS  30   4.819  -5.957   4.046
  233   1HB   HIS  30          HB2       HIS  30   5.083  -5.664   6.963
  234   2HB   HIS  30          HB1       HIS  30   3.924  -6.916   6.512
  235    HD1  HIS  30           HD1      HIS  30   4.858  -9.071   5.490
  236    HD2  HIS  30           HD2      HIS  30   7.733  -6.082   5.925
  237    HE1  HIS  30           HE1      HIS  30   7.091 -10.149   4.968
  238    H    LYS  31           H        LYS  31   2.948  -3.720   3.876
  239    HA   LYS  31           HA       LYS  31   0.425  -5.203   3.709
  240   1HB   LYS  31          HB2       LYS  31   1.001  -3.547   6.013
  241   2HB   LYS  31          HB1       LYS  31  -0.310  -2.824   5.086
  242   1HG   LYS  31          HG2       LYS  31  -1.744  -4.578   5.478
  243   2HG   LYS  31          HG1       LYS  31  -0.441  -5.768   5.533
  244   1HD   LYS  31          HD2       LYS  31   0.031  -5.358   7.761
  245   2HD   LYS  31          HD1       LYS  31  -0.546  -3.693   7.686
  246   1HE   LYS  31          HE2       LYS  31  -2.130  -4.996   8.984
  247   2HE   LYS  31          HE1       LYS  31  -2.882  -4.575   7.446
  248   1HZ   LYS  31          HZ1       LYS  31  -3.301  -6.848   7.777
  249   2HZ   LYS  31          HZ2       LYS  31  -1.701  -7.169   8.250
  250   3HZ   LYS  31          HZ3       LYS  31  -2.052  -6.791   6.631
  251    H    CYS  32           H        CYS  32  -1.258  -3.043   3.361
  252    HA   CYS  32           HA       CYS  32  -0.174  -1.861   0.859
  253   1HB   CYS  32          HB2       CYS  32  -2.494  -2.982   0.998
  254   2HB   CYS  32          HB1       CYS  32  -2.996  -1.555   1.894
  255    H    GLN  33           H        GLN  33  -0.454   0.428   0.465
  256    HA   GLN  33           HA       GLN  33  -0.908   2.136   2.844
  257   1HB   GLN  33          HB2       GLN  33   1.569   1.719   2.664
  258   2HB   GLN  33          HB1       GLN  33   1.524   2.438   1.052
  259   1HG   GLN  33          HG2       GLN  33   0.719   4.543   1.951
  260   2HG   GLN  33          HG1       GLN  33   0.570   3.842   3.561
  261   1HE2  GLN  33          1HE2      GLN  33   2.469   3.709   4.863
  262   2HE2  GLN  33          2HE2      GLN  33   3.986   4.278   4.353
  263    H    LYS  34           H        LYS  34  -1.729   4.156   2.278
  264    HA   LYS  34           HA       LYS  34  -2.617   4.349  -0.542
  265   1HB   LYS  34          HB2       LYS  34  -4.296   5.917   0.275
  266   2HB   LYS  34          HB1       LYS  34  -4.288   4.510   1.324
  267   1HG   LYS  34          HG2       LYS  34  -2.639   5.850   2.799
  268   2HG   LYS  34          HG1       LYS  34  -3.199   7.254   1.892
  269   1HD   LYS  34          HD2       LYS  34  -5.584   6.170   2.485
  270   2HD   LYS  34          HD1       LYS  34  -4.662   5.559   3.857
  271   1HE   LYS  34          HE2       LYS  34  -5.469   7.640   4.616
  272   2HE   LYS  34          HE1       LYS  34  -3.819   7.996   4.110
  273   1HZ   LYS  34          HZ1       LYS  34  -5.673   9.528   3.303
  274   2HZ   LYS  34          HZ2       LYS  34  -6.088   8.271   2.239
  275   3HZ   LYS  34          HZ3       LYS  34  -4.548   8.987   2.155
  276    H    PHE  35           H        PHE  35  -1.809   5.925  -1.881
  277    HA   PHE  35           HA       PHE  35  -0.130   8.041  -0.635
  278   1HB   PHE  35          HB2       PHE  35   1.411   7.933  -2.462
  279   2HB   PHE  35          HB1       PHE  35   1.153   6.280  -1.915
  280    HD1  PHE  35           HD1      PHE  35  -0.308   4.740  -3.232
  281    HD2  PHE  35           HD2      PHE  35   0.783   8.642  -4.661
  282    HE1  PHE  35           HE1      PHE  35  -0.929   4.072  -5.536
  283    HE2  PHE  35           HE2      PHE  35   0.158   7.973  -6.965
  284    HZ   PHE  35           HZ       PHE  35  -0.695   5.686  -7.404
  285    H    ASN  36           H        ASN  36  -0.024  10.047  -1.950
  286    HA   ASN  36           HA       ASN  36  -2.740  10.735  -2.892
  287   1HB   ASN  36          HB2       ASN  36  -1.124  12.023  -1.195
  288   2HB   ASN  36          HB1       ASN  36  -0.574  12.756  -2.697
  289   1HD2  ASN  36          1HD2      ASN  36  -2.617  13.436  -0.265
  290   2HD2  ASN  36          2HD2      ASN  36  -3.859  14.230  -1.107
  291    H    TYR  37           H        TYR  37  -3.219  11.241  -4.959
  292    HA   TYR  37           HA       TYR  37  -0.978  11.450  -6.934
  293   1HB   TYR  37          HB2       TYR  37  -2.363   9.326  -7.065
  294   2HB   TYR  37          HB1       TYR  37  -3.746  10.340  -7.476
  295    HD1  TYR  37           HD1      TYR  37  -0.128  10.514  -8.483
  296    HD2  TYR  37           HD2      TYR  37  -4.211  10.071  -9.745
  297    HE1  TYR  37           HE1      TYR  37   0.594  10.582 -10.850
  298    HE2  TYR  37           HE2      TYR  37  -3.485  10.137 -12.112
  299    HH   TYR  37           HH       TYR  37  -1.240   9.564 -13.360
  300    H    GLY  38           H        GLY  38  -1.538  12.782  -8.851
  301   1HA   GLY  38          HA2       GLY  38  -3.504  14.940  -8.186
  302   2HA   GLY  38          HA1       GLY  38  -1.974  15.244  -9.006
  303    H    GLY  39           H        GLY  39  -1.944  13.166 -10.855
  304   1HA   GLY  39          HA2       GLY  39  -3.541  12.205 -12.572
  305   2HA   GLY  39          HA1       GLY  39  -4.322  13.786 -12.569
  306    H    CYS  40           H        CYS  40  -0.914  12.718 -12.702
  307    HA   CYS  40           HA       CYS  40  -0.597  14.271 -15.233
  308   1HB   CYS  40          HB2       CYS  40   1.345  14.200 -12.907
  309   2HB   CYS  40          HB1       CYS  40   1.588  15.060 -14.428
  310    H    GLY  41           H        GLY  41   1.203  12.022 -13.106
  311   1HA   GLY  41          HA2       GLY  41   1.414   9.987 -15.156
  312   2HA   GLY  41          HA1       GLY  41   2.922  10.884 -14.988
  313    H    GLY  42           H        GLY  42   2.714   8.134 -14.396
  314   1HA   GLY  42          HA2       GLY  42   3.963   7.967 -11.844
  315   2HA   GLY  42          HA1       GLY  42   2.275   7.489 -11.659
  316    H    ASN  43           H        ASN  43   4.508   5.733 -11.292
  317    HA   ASN  43           HA       ASN  43   4.888   4.054 -13.634
  318   1HB   ASN  43          HB2       ASN  43   5.564   3.835 -10.709
  319   2HB   ASN  43          HB1       ASN  43   5.763   2.441 -11.763
  320   1HD2  ASN  43          1HD2      ASN  43   7.678   4.665 -10.454
  321   2HD2  ASN  43          2HD2      ASN  43   8.733   5.002 -11.739
  322    H    ALA  44           H        ALA  44   4.463   1.467 -12.793
  323    HA   ALA  44           HA       ALA  44   1.614   1.147 -13.144
  324   1HB   ALA  44          HB1       ALA  44   2.867  -0.584 -14.094
  325   2HB   ALA  44          HB2       ALA  44   2.280  -1.328 -12.607
  326   3HB   ALA  44          HB3       ALA  44   3.931  -0.713 -12.693
  327    H    ASN  45           H        ASN  45   3.799   0.801 -10.361
  328    HA   ASN  45           HA       ASN  45   2.014  -0.399  -8.527
  329   1HB   ASN  45          HB2       ASN  45   4.599   0.700  -8.428
  330   2HB   ASN  45          HB1       ASN  45   3.685   1.607  -7.228
  331   1HD2  ASN  45          1HD2      ASN  45   4.632   0.572  -5.375
  332   2HD2  ASN  45          2HD2      ASN  45   4.372  -1.065  -5.011
  333    H    ASN  46           H        ASN  46  -0.065   0.390  -8.484
  334    HA   ASN  46           HA       ASN  46  -0.745   2.568  -6.831
  335   1HB   ASN  46          HB2       ASN  46  -1.628   4.208  -8.465
  336   2HB   ASN  46          HB1       ASN  46   0.117   4.031  -8.607
  337   1HD2  ASN  46          1HD2      ASN  46   0.956   3.211 -10.597
  338   2HD2  ASN  46          2HD2      ASN  46  -0.026   2.797 -11.919
  339    H    PHE  47           H        PHE  47  -2.705   1.983  -6.093
  340    HA   PHE  47           HA       PHE  47  -4.582   0.605  -7.993
  341   1HB   PHE  47          HB2       PHE  47  -4.402   0.152  -5.006
  342   2HB   PHE  47          HB1       PHE  47  -5.388  -0.747  -6.158
  343    HD1  PHE  47           HD1      PHE  47  -2.664  -1.152  -4.214
  344    HD2  PHE  47           HD2      PHE  47  -3.703  -1.352  -8.379
  345    HE1  PHE  47           HE1      PHE  47  -0.774  -2.714  -4.617
  346    HE2  PHE  47           HE2      PHE  47  -1.807  -2.900  -8.783
  347    HZ   PHE  47           HZ       PHE  47  -0.341  -3.581  -6.902
  348    H    LYS  48           H        LYS  48  -6.847   0.556  -6.513
  349    HA   LYS  48           HA       LYS  48  -7.566   3.435  -6.298
  350   1HB   LYS  48          HB2       LYS  48  -9.126   0.902  -6.790
  351   2HB   LYS  48          HB1       LYS  48  -9.943   2.372  -6.255
  352   1HG   LYS  48          HG2       LYS  48  -9.065   3.604  -8.173
  353   2HG   LYS  48          HG1       LYS  48  -8.141   2.191  -8.687
  354   1HD   LYS  48          HD2       LYS  48 -10.030   1.967 -10.019
  355   2HD   LYS  48          HD1       LYS  48 -10.510   1.013  -8.613
  356   1HE   LYS  48          HE2       LYS  48 -12.369   2.391  -8.869
  357   2HE   LYS  48          HE1       LYS  48 -11.411   3.322  -7.721
  358   1HZ   LYS  48          HZ1       LYS  48 -12.321   4.159 -10.182
  359   2HZ   LYS  48          HZ2       LYS  48 -10.653   3.926 -10.401
  360   3HZ   LYS  48          HZ3       LYS  48 -11.217   4.964  -9.179
  361    H    THR  49           H        THR  49  -7.421   0.439  -4.465
  362    HA   THR  49           HA       THR  49  -7.495   1.817  -1.947
  363    HB   THR  49           HB       THR  49  -9.659   0.171  -1.427
  364    HG1  THR  49           HG1      THR  49 -10.950   0.130  -3.084
  365   1HG2  THR  49          1HG2      THR  49  -9.086   2.657  -0.868
  366   2HG2  THR  49          2HG2      THR  49 -10.776   2.156  -0.917
  367   3HG2  THR  49          3HG2      THR  49 -10.071   3.018  -2.284
  368    H    ILE  50           H        ILE  50  -8.156  -0.243  -0.273
  369    HA   ILE  50           HA       ILE  50  -5.868  -1.989  -0.530
  370    HB   ILE  50           HB       ILE  50  -8.175  -2.240   1.414
  371   1HG1  ILE  50          2HG1      ILE  50  -6.002  -1.009   2.694
  372   2HG1  ILE  50          1HG1      ILE  50  -6.092  -0.196   1.132
  373   1HG2  ILE  50          1HG2      ILE  50  -6.761  -4.195   1.415
  374   2HG2  ILE  50          2HG2      ILE  50  -6.332  -3.237   2.833
  375   3HG2  ILE  50          3HG2      ILE  50  -5.302  -3.203   1.401
  376   1HD1  ILE  50          1HD1      ILE  50  -8.710  -0.198   1.739
  377   2HD1  ILE  50          2HD1      ILE  50  -7.623   1.086   2.268
  378   3HD1  ILE  50          3HD1      ILE  50  -8.052  -0.216   3.376
  379    H    ASP  51           H        ASP  51  -9.161  -2.261  -1.598
  380    HA   ASP  51           HA       ASP  51  -9.413  -5.121  -1.514
  381   1HB   ASP  51          HB2       ASP  51 -11.182  -4.786  -3.269
  382   2HB   ASP  51          HB1       ASP  51 -11.398  -3.764  -1.848
  383    H    GLU  52           H        GLU  52  -8.367  -2.934  -4.156
  384    HA   GLU  52           HA       GLU  52  -7.634  -5.123  -5.928
  385   1HB   GLU  52          HB2       GLU  52  -7.373  -2.148  -5.921
  386   2HB   GLU  52          HB1       GLU  52  -6.222  -3.046  -6.912
  387   1HG   GLU  52          HG2       GLU  52  -8.152  -4.254  -7.962
  388   2HG   GLU  52          HG1       GLU  52  -9.246  -3.204  -7.061
  389    H    CYS  53           H        CYS  53  -6.081  -3.130  -3.514
  390    HA   CYS  53           HA       CYS  53  -3.345  -3.774  -3.961
  391   1HB   CYS  53          HB2       CYS  53  -4.612  -2.069  -2.362
  392   2HB   CYS  53          HB1       CYS  53  -4.438  -3.382  -1.202
  393    H    GLN  54           H        GLN  54  -5.813  -5.280  -1.877
  394    HA   GLN  54           HA       GLN  54  -4.093  -7.262  -0.719
  395   1HB   GLN  54          HB2       GLN  54  -6.455  -6.457   0.015
  396   2HB   GLN  54          HB1       GLN  54  -7.049  -7.673  -1.116
  397   1HG   GLN  54          HG2       GLN  54  -6.231  -9.440   0.137
  398   2HG   GLN  54          HG1       GLN  54  -4.919  -8.482   0.823
  399   1HE2  GLN  54          1HE2      GLN  54  -5.261  -8.288   3.038
  400   2HE2  GLN  54          2HE2      GLN  54  -6.762  -7.983   3.770
  401    H    ARG  55           H        ARG  55  -6.240  -7.381  -3.567
  402    HA   ARG  55           HA       ARG  55  -5.784 -10.196  -4.074
  403   1HB   ARG  55          HB2       ARG  55  -7.795  -8.936  -4.857
  404   2HB   ARG  55          HB1       ARG  55  -6.765  -8.068  -5.995
  405   1HG   ARG  55          HG2       ARG  55  -7.586  -9.816  -7.318
  406   2HG   ARG  55          HG1       ARG  55  -6.042 -10.465  -6.771
  407   1HD   ARG  55          HD2       ARG  55  -7.158 -12.227  -5.924
  408   2HD   ARG  55          HD1       ARG  55  -7.901 -11.137  -4.753
  409    HE   ARG  55           HE       ARG  55  -9.144 -12.083  -7.270
  410   1HH1  ARG  55          1HH2      ARG  55  -9.832  -9.219  -6.925
  411   2HH1  ARG  55          2HH2      ARG  55 -11.241  -9.283  -5.921
  412   1HH2  ARG  55          1HH1      ARG  55 -10.710 -12.563  -4.928
  413   2HH2  ARG  55          2HH1      ARG  55 -11.744 -11.179  -4.797
  414    H    THR  56           H        THR  56  -4.373  -7.212  -5.423
  415    HA   THR  56           HA       THR  56  -2.826  -8.558  -7.441
  416    HB   THR  56           HB       THR  56  -3.381  -6.208  -7.681
  417    HG1  THR  56           HG1      THR  56  -0.592  -6.472  -7.278
  418   1HG2  THR  56          1HG2      THR  56  -2.897  -4.573  -6.159
  419   2HG2  THR  56          2HG2      THR  56  -1.400  -5.348  -5.639
  420   3HG2  THR  56          3HG2      THR  56  -2.952  -5.932  -5.043
  421    H    CYS  57           H        CYS  57  -1.774  -7.242  -4.239
  422    HA   CYS  57           HA       CYS  57   0.848  -8.556  -4.646
  423   1HB   CYS  57          HB2       CYS  57   0.339  -6.140  -3.640
  424   2HB   CYS  57          HB1       CYS  57   0.224  -7.062  -2.140
  425    H    ALA  58           H        ALA  58  -1.761  -8.553  -2.182
  426    HA   ALA  58           HA       ALA  58  -0.572 -10.664  -0.612
  427   1HB   ALA  58          HB1       ALA  58  -3.426 -10.630  -0.282
  428   2HB   ALA  58          HB2       ALA  58  -2.851  -8.969  -0.426
  429   3HB   ALA  58          HB3       ALA  58  -2.185 -10.027   0.816
  430    H    ALA  59           H        ALA  59  -2.872 -10.625  -3.290
  431    HA   ALA  59           HA       ALA  59  -3.717 -12.355  -4.629
  432   1HB   ALA  59          HB1       ALA  59  -1.472 -14.025  -3.471
  433   2HB   ALA  59          HB2       ALA  59  -1.216 -12.831  -4.743
  434   3HB   ALA  59          HB3       ALA  59  -2.262 -14.219  -5.037
  435    H    LYS  60           H        LYS  60  -5.673 -12.935  -3.761
  436    HA   LYS  60           HA       LYS  60  -5.671 -14.936  -1.530
  437   1HB   LYS  60          HB2       LYS  60  -7.869 -12.974  -2.260
  438   2HB   LYS  60          HB1       LYS  60  -7.848 -14.056  -0.867
  439   1HG   LYS  60          HG2       LYS  60  -5.469 -12.317  -1.093
  440   2HG   LYS  60          HG1       LYS  60  -6.980 -11.454  -0.816
  441   1HD   LYS  60          HD2       LYS  60  -6.561 -11.930   1.373
  442   2HD   LYS  60          HD1       LYS  60  -7.247 -13.502   0.962
  443   1HE   LYS  60          HE2       LYS  60  -5.215 -14.554   1.016
  444   2HE   LYS  60          HE1       LYS  60  -4.359 -13.155   0.367
  445   1HZ   LYS  60          HZ1       LYS  60  -3.772 -13.566   2.676
  446   2HZ   LYS  60          HZ2       LYS  60  -5.400 -13.408   3.138
  447   3HZ   LYS  60          HZ3       LYS  60  -4.558 -12.072   2.510
  448    H    TYR  61           H        TYR  61  -8.299 -15.775  -1.730
  449    HA   TYR  61           HA       TYR  61  -8.232 -17.747  -3.770
  450   1HB   TYR  61          HB2       TYR  61 -10.418 -16.625  -2.030
  451   2HB   TYR  61          HB1       TYR  61 -10.801 -17.798  -3.289
  452    HD1  TYR  61           HD1      TYR  61 -10.553 -20.093  -2.861
  453    HD2  TYR  61           HD2      TYR  61  -8.469 -17.248  -0.409
  454    HE1  TYR  61           HE1      TYR  61  -9.789 -21.929  -1.379
  455    HE2  TYR  61           HE2      TYR  61  -7.705 -19.082   1.071
  456    HH   TYR  61           HH       TYR  61  -9.015 -22.235   0.917
  457    H    GLY  62           H        GLY  62  -9.976 -17.934  -5.510
  458   1HA   GLY  62          HA2       GLY  62 -11.322 -15.709  -6.641
  459   2HA   GLY  62          HA1       GLY  62  -9.735 -15.813  -7.408
  460    H    ARG  63           H        ARG  63  -9.922 -16.829  -9.326
  461    HA   ARG  63           HA       ARG  63 -11.872 -19.071  -9.610
  462   1HB   ARG  63          HB2       ARG  63 -10.566 -17.182 -11.564
  463   2HB   ARG  63          HB1       ARG  63 -11.268 -18.704 -12.115
  464   1HG   ARG  63          HG2       ARG  63 -13.322 -17.877 -10.628
  465   2HG   ARG  63          HG1       ARG  63 -12.620 -16.297 -10.968
  466   1HD   ARG  63          HD2       ARG  63 -13.680 -16.352 -12.957
  467   2HD   ARG  63          HD1       ARG  63 -12.578 -17.643 -13.435
  468    HE   ARG  63           HE       ARG  63 -14.808 -18.669 -11.894
  469   1HH1  ARG  63          1HH1      ARG  63 -15.800 -16.864 -14.228
  470   2HH1  ARG  63          2HH1      ARG  63 -16.075 -18.066 -15.444
  471   1HH2  ARG  63          1HH2      ARG  63 -14.295 -20.535 -13.784
  472   2HH2  ARG  63          2HH2      ARG  63 -15.225 -20.145 -15.192
  473    H    SER  64           H        SER  64 -10.930 -20.656 -11.464
  474    HA   SER  64           HA       SER  64  -8.517 -21.850 -10.283
  475   1HB   SER  64          HB2       SER  64 -10.707 -22.994 -11.319
  476   2HB   SER  64          HB1       SER  64  -9.733 -22.932 -12.785
  477    HG   SER  64           HG       SER  64  -9.529 -24.832 -11.292
  478    H    SER  65           H        SER  65  -6.993 -22.851 -12.129
  479    HA   SER  65           HA       SER  65  -5.811 -20.534 -13.499
  480   1HB   SER  65          HB2       SER  65  -4.903 -23.425 -13.555
  481   2HB   SER  65          HB1       SER  65  -3.948 -22.004 -13.964
  482    HG   SER  65           HG       SER  65  -3.915 -23.059 -11.700
  Start of MODEL    6
    1   1H    LYS   1          HT1       LYS   1  -0.696 -14.669 -14.090
    2   2H    LYS   1          HT2       LYS   1  -0.136 -13.093 -13.792
    3   3H    LYS   1          HT3       LYS   1   0.408 -14.387 -12.834
    4    HA   LYS   1           HA       LYS   1   1.254 -15.358 -15.059
    5   1HB   LYS   1          HB2       LYS   1   0.047 -13.157 -16.076
    6   2HB   LYS   1          HB1       LYS   1   1.665 -12.512 -15.810
    7   1HG   LYS   1          HG2       LYS   1   2.646 -14.327 -17.117
    8   2HG   LYS   1          HG1       LYS   1   1.060 -15.073 -17.317
    9   1HD   LYS   1          HD2       LYS   1   0.303 -12.926 -18.433
   10   2HD   LYS   1          HD1       LYS   1   1.991 -12.413 -18.423
   11   1HE   LYS   1          HE2       LYS   1   1.804 -13.415 -20.529
   12   2HE   LYS   1          HE1       LYS   1   2.428 -14.741 -19.548
   13   1HZ   LYS   1          HZ1       LYS   1   0.645 -15.679 -20.662
   14   2HZ   LYS   1          HZ2       LYS   1  -0.323 -14.290 -20.515
   15   3HZ   LYS   1          HZ3       LYS   1  -0.032 -15.273 -19.160
   16    H    ASN   2           H        ASN   2   2.995 -15.945 -13.825
   17    HA   ASN   2           HA       ASN   2   5.061 -15.792 -12.735
   18   1HB   ASN   2          HB2       ASN   2   5.423 -14.355 -14.898
   19   2HB   ASN   2          HB1       ASN   2   5.373 -12.992 -13.778
   20   1HD2  ASN   2          1HD2      ASN   2   6.894 -16.275 -13.840
   21   2HD2  ASN   2          2HD2      ASN   2   8.398 -15.744 -13.259
   22    H    ARG   3           H        ARG   3   6.142 -14.702 -10.937
   23    HA   ARG   3           HA       ARG   3   4.273 -12.979  -9.360
   24   1HB   ARG   3          HB2       ARG   3   5.189 -15.449  -8.682
   25   2HB   ARG   3          HB1       ARG   3   6.447 -14.441  -7.967
   26   1HG   ARG   3          HG2       ARG   3   5.043 -13.579  -6.390
   27   2HG   ARG   3          HG1       ARG   3   3.678 -13.503  -7.504
   28   1HD   ARG   3          HD2       ARG   3   3.212 -15.162  -5.770
   29   2HD   ARG   3          HD1       ARG   3   3.431 -15.978  -7.316
   30    HE   ARG   3           HE       ARG   3   5.204 -17.124  -6.295
   31   1HH1  ARG   3          1HH1      ARG   3   4.347 -14.553  -4.241
   32   2HH1  ARG   3          2HH1      ARG   3   5.873 -14.494  -3.422
   33   1HH2  ARG   3          1HH2      ARG   3   7.396 -16.797  -5.519
   34   2HH2  ARG   3          2HH2      ARG   3   7.593 -15.761  -4.145
   35    HA   PRO   4           HA       PRO   4   7.941 -10.311 -10.099
   36   1HB   PRO   4          HB2       PRO   4   6.535  -7.957 -10.196
   37   2HB   PRO   4          HB1       PRO   4   6.759  -9.014 -11.600
   38   1HG   PRO   4          HG2       PRO   4   4.325  -8.590  -9.933
   39   2HG   PRO   4          HG1       PRO   4   4.451  -9.099 -11.627
   40   1HD   PRO   4          HD2       PRO   4   3.942 -10.795  -9.413
   41   2HD   PRO   4          HD1       PRO   4   4.379 -11.319 -11.053
   42    H    THR   5           H        THR   5   8.337  -8.003  -8.909
   43    HA   THR   5           HA       THR   5   7.442  -8.252  -6.068
   44    HB   THR   5           HB       THR   5   9.756  -9.051  -6.241
   45    HG1  THR   5           HG1      THR   5   9.299  -7.839  -4.423
   46   1HG2  THR   5          1HG2      THR   5  10.413  -6.335  -7.408
   47   2HG2  THR   5          2HG2      THR   5  10.251  -7.805  -8.369
   48   3HG2  THR   5          3HG2      THR   5  11.526  -7.679  -7.157
   49    H    PHE   6           H        PHE   6   6.895  -6.453  -8.598
   50    HA   PHE   6           HA       PHE   6   7.646  -3.842  -8.392
   51   1HB   PHE   6          HB2       PHE   6   5.569  -3.242  -9.436
   52   2HB   PHE   6          HB1       PHE   6   6.008  -4.841 -10.025
   53    HD1  PHE   6           HD1      PHE   6   5.115  -6.750  -8.080
   54    HD2  PHE   6           HD2      PHE   6   3.290  -3.014  -9.158
   55    HE1  PHE   6           HE1      PHE   6   2.963  -7.598  -7.288
   56    HE2  PHE   6           HE2      PHE   6   1.104  -3.874  -8.370
   57    HZ   PHE   6           HZ       PHE   6   0.932  -6.167  -7.433
   58    H    CYS   7           H        CYS   7   5.591  -5.508  -6.068
   59    HA   CYS   7           HA       CYS   7   4.278  -3.420  -4.712
   60   1HB   CYS   7          HB2       CYS   7   5.707  -5.736  -3.365
   61   2HB   CYS   7          HB1       CYS   7   4.346  -4.829  -2.724
   62    H    ASN   8           H        ASN   8   7.693  -4.286  -4.620
   63    HA   ASN   8           HA       ASN   8   8.332  -2.367  -2.485
   64   1HB   ASN   8          HB2       ASN   8  10.129  -3.942  -4.359
   65   2HB   ASN   8          HB1       ASN   8  10.679  -3.007  -2.970
   66   1HD2  ASN   8          1HD2      ASN   8  11.386  -4.710  -1.603
   67   2HD2  ASN   8          2HD2      ASN   8  10.367  -5.945  -1.042
   68    H    LEU   9           H        LEU   9   8.287  -2.513  -5.976
   69    HA   LEU   9           HA       LEU   9   9.943  -0.516  -6.897
   70   1HB   LEU   9          HB2       LEU   9   8.046  -1.973  -8.046
   71   2HB   LEU   9          HB1       LEU   9   7.116  -0.489  -7.873
   72    HG   LEU   9           HG       LEU   9   9.057   0.721  -8.980
   73   1HD1  LEU   9          1HD1      LEU   9  10.298  -1.114 -10.496
   74   2HD1  LEU   9          2HD1      LEU   9   9.990  -2.112  -9.074
   75   3HD1  LEU   9          3HD1      LEU   9  10.928  -0.625  -8.922
   76   1HD2  LEU   9          1HD2      LEU   9   8.488  -0.511 -11.276
   77   2HD2  LEU   9          2HD2      LEU   9   7.270   0.453 -10.439
   78   3HD2  LEU   9          3HD2      LEU   9   7.268  -1.304 -10.277
   79    H    LEU  10           H        LEU  10   9.846   1.723  -7.162
   80    HA   LEU  10           HA       LEU  10   8.153   3.190  -5.213
   81   1HB   LEU  10          HB2       LEU  10  10.842   3.466  -6.237
   82   2HB   LEU  10          HB1       LEU  10   9.943   4.945  -6.561
   83    HG   LEU  10           HG       LEU  10  11.056   5.050  -4.363
   84   1HD1  LEU  10          1HD1      LEU  10   9.239   5.958  -3.209
   85   2HD1  LEU  10          2HD1      LEU  10   8.130   4.706  -3.768
   86   3HD1  LEU  10          3HD1      LEU  10   8.658   5.974  -4.874
   87   1HD2  LEU  10          1HD2      LEU  10   9.254   3.053  -3.127
   88   2HD2  LEU  10          2HD2      LEU  10  10.956   3.383  -2.808
   89   3HD2  LEU  10          3HD2      LEU  10  10.496   2.375  -4.179
   90    HA   PRO  11           HA       PRO  11   5.780   4.127  -8.984
   91   1HB   PRO  11          HB2       PRO  11   3.576   5.143  -7.696
   92   2HB   PRO  11          HB1       PRO  11   3.855   3.411  -7.950
   93   1HG   PRO  11          HG2       PRO  11   4.142   5.017  -5.450
   94   2HG   PRO  11          HG1       PRO  11   3.762   3.297  -5.643
   95   1HD   PRO  11          HD2       PRO  11   6.279   4.347  -4.932
   96   2HD   PRO  11          HD1       PRO  11   5.971   2.693  -5.501
   97    H    GLU  12           H        GLU  12   4.652   6.174  -9.766
   98    HA   GLU  12           HA       GLU  12   5.878   8.643  -8.605
   99   1HB   GLU  12          HB2       GLU  12   5.464   8.087 -11.559
  100   2HB   GLU  12          HB1       GLU  12   6.285   9.474 -10.848
  101   1HG   GLU  12          HG2       GLU  12   7.251   6.671 -10.294
  102   2HG   GLU  12          HG1       GLU  12   7.740   7.521 -11.760
  103    H    THR  13           H        THR  13   4.632  10.633  -9.252
  104    HA   THR  13           HA       THR  13   1.725  10.085  -9.129
  105    HB   THR  13           HB       THR  13   1.763  12.724  -8.969
  106    HG1  THR  13           HG1      THR  13   3.751  13.370  -7.979
  107   1HG2  THR  13          1HG2      THR  13   1.631  10.661  -7.154
  108   2HG2  THR  13          2HG2      THR  13   1.395  12.365  -6.766
  109   3HG2  THR  13          3HG2      THR  13   2.976  11.620  -6.533
  110    H    GLY  14           H        GLY  14   4.057  11.875 -11.138
  111   1HA   GLY  14          HA2       GLY  14   3.860  11.804 -13.591
  112   2HA   GLY  14          HA1       GLY  14   2.107  11.743 -13.401
  113    H    ARG  15           H        ARG  15   4.418  13.857 -11.740
  114    HA   ARG  15           HA       ARG  15   4.543  16.193 -11.587
  115   1HB   ARG  15          HB2       ARG  15   4.854  15.614 -14.183
  116   2HB   ARG  15          HB1       ARG  15   3.332  16.501 -14.302
  117   1HG   ARG  15          HG2       ARG  15   4.268  18.488 -13.530
  118   2HG   ARG  15          HG1       ARG  15   5.567  17.662 -12.670
  119   1HD   ARG  15          HD2       ARG  15   6.929  17.786 -14.461
  120   2HD   ARG  15          HD1       ARG  15   5.693  17.117 -15.528
  121    HE   ARG  15           HE       ARG  15   4.820  19.429 -15.800
  122   1HH1  ARG  15          1HH1      ARG  15   7.779  19.256 -16.645
  123   2HH1  ARG  15          2HH1      ARG  15   8.391  20.723 -15.958
  124   1HH2  ARG  15          1HH2      ARG  15   5.644  21.218 -13.899
  125   2HH2  ARG  15          2HH2      ARG  15   7.177  21.841 -14.412
  126    H    CYS  16           H        CYS  16   2.049  14.779 -10.825
  127    HA   CYS  16           HA       CYS  16   0.245  17.130 -10.817
  128   1HB   CYS  16          HB2       CYS  16  -0.681  14.311 -11.442
  129   2HB   CYS  16          HB1       CYS  16  -1.698  15.748 -11.328
  130    H    ASN  17           H        ASN  17  -0.409  17.515  -8.807
  131    HA   ASN  17           HA       ASN  17  -0.272  15.322  -6.775
  132   1HB   ASN  17          HB2       ASN  17   0.227  18.296  -6.441
  133   2HB   ASN  17          HB1       ASN  17   0.180  17.135  -5.115
  134   1HD2  ASN  17          1HD2      ASN  17   2.371  18.758  -6.938
  135   2HD2  ASN  17          2HD2      ASN  17   3.633  17.623  -6.977
  136    H    ALA  18           H        ALA  18  -2.117  14.870  -5.727
  137    HA   ALA  18           HA       ALA  18  -4.144  16.761  -4.996
  138   1HB   ALA  18          HB1       ALA  18  -4.443  15.348  -7.603
  139   2HB   ALA  18          HB2       ALA  18  -5.075  16.915  -7.096
  140   3HB   ALA  18          HB3       ALA  18  -5.872  15.431  -6.574
  141    H    LEU  19           H        LEU  19  -5.420  15.828  -3.418
  142    HA   LEU  19           HA       LEU  19  -4.721  13.291  -2.322
  143   1HB   LEU  19          HB2       LEU  19  -7.031  15.179  -1.904
  144   2HB   LEU  19          HB1       LEU  19  -6.994  13.612  -1.092
  145    HG   LEU  19           HG       LEU  19  -4.513  14.366  -0.504
  146   1HD1  LEU  19          1HD1      LEU  19  -5.945  16.861  -1.324
  147   2HD1  LEU  19          2HD1      LEU  19  -4.239  16.440  -1.487
  148   3HD1  LEU  19          3HD1      LEU  19  -4.877  16.942   0.078
  149   1HD2  LEU  19          1HD2      LEU  19  -5.381  15.265   1.625
  150   2HD2  LEU  19          2HD2      LEU  19  -6.300  13.846   1.123
  151   3HD2  LEU  19          3HD2      LEU  19  -6.974  15.460   0.896
  152    H    ILE  20           H        ILE  20  -5.219  11.307  -3.061
  153    HA   ILE  20           HA       ILE  20  -7.866  10.703  -4.159
  154    HB   ILE  20           HB       ILE  20  -5.340  10.303  -5.817
  155   1HG1  ILE  20          2HG1      ILE  20  -7.753  12.113  -6.211
  156   2HG1  ILE  20          1HG1      ILE  20  -6.098  12.629  -5.902
  157   1HG2  ILE  20          1HG2      ILE  20  -8.232   9.645  -6.467
  158   2HG2  ILE  20          2HG2      ILE  20  -7.025   8.458  -5.972
  159   3HG2  ILE  20          3HG2      ILE  20  -6.831   9.334  -7.492
  160   1HD1  ILE  20          1HD1      ILE  20  -7.332  11.685  -8.418
  161   2HD1  ILE  20          2HD1      ILE  20  -5.715  11.062  -8.093
  162   3HD1  ILE  20          3HD1      ILE  20  -5.990  12.803  -8.170
  163    HA   PRO  21           HA       PRO  21  -6.609   7.180  -1.819
  164   1HB   PRO  21          HB2       PRO  21  -8.523   5.370  -2.640
  165   2HB   PRO  21          HB1       PRO  21  -8.811   6.653  -1.452
  166   1HG   PRO  21          HG2       PRO  21  -9.632   6.531  -4.324
  167   2HG   PRO  21          HG1       PRO  21 -10.433   7.332  -2.960
  168   1HD   PRO  21          HD2       PRO  21  -8.890   8.638  -4.883
  169   2HD   PRO  21          HD1       PRO  21  -9.266   9.291  -3.277
  170    H    ALA  22           H        ALA  22  -4.663   7.292  -3.453
  171    HA   ALA  22           HA       ALA  22  -4.724   5.009  -5.359
  172   1HB   ALA  22          HB1       ALA  22  -3.672   7.208  -6.060
  173   2HB   ALA  22          HB2       ALA  22  -2.640   5.787  -6.215
  174   3HB   ALA  22          HB3       ALA  22  -2.416   6.892  -4.861
  175    H    PHE  23           H        PHE  23  -4.426   3.188  -4.348
  176    HA   PHE  23           HA       PHE  23  -2.606   3.035  -1.995
  177   1HB   PHE  23          HB2       PHE  23  -4.945   1.409  -2.949
  178   2HB   PHE  23          HB1       PHE  23  -3.869   0.823  -1.702
  179    HD1  PHE  23           HD1      PHE  23  -5.306   4.276  -2.342
  180    HD2  PHE  23           HD2      PHE  23  -4.980   0.898   0.322
  181    HE1  PHE  23           HE1      PHE  23  -6.632   5.487  -0.673
  182    HE2  PHE  23           HE2      PHE  23  -6.325   2.131   2.007
  183    HZ   PHE  23           HZ       PHE  23  -7.157   4.418   1.515
  184    H    TYR  24           H        TYR  24  -1.154   1.328  -1.756
  185    HA   TYR  24           HA       TYR  24  -0.928  -0.766  -3.702
  186   1HB   TYR  24          HB2       TYR  24   1.239  -0.345  -4.635
  187   2HB   TYR  24          HB1       TYR  24   0.196   1.026  -4.983
  188    HD1  TYR  24           HD1      TYR  24   0.873   3.162  -4.476
  189    HD2  TYR  24           HD2      TYR  24   2.737  -0.173  -2.507
  190    HE1  TYR  24           HE1      TYR  24   2.562   4.690  -3.464
  191    HE2  TYR  24           HE2      TYR  24   4.416   1.329  -1.512
  192    HH   TYR  24           HH       TYR  24   4.106   4.796  -1.658
  193    H    TYR  25           H        TYR  25   1.214  -2.069  -3.211
  194    HA   TYR  25           HA       TYR  25   1.090  -2.513  -0.291
  195   1HB   TYR  25          HB2       TYR  25   0.806  -4.280  -2.128
  196   2HB   TYR  25          HB1       TYR  25   2.556  -4.229  -2.269
  197    HD1  TYR  25           HD1      TYR  25   3.846  -4.352   0.069
  198    HD2  TYR  25           HD2      TYR  25  -0.147  -5.762  -0.635
  199    HE1  TYR  25           HE1      TYR  25   4.028  -5.854   2.034
  200    HE2  TYR  25           HE2      TYR  25   0.034  -7.263   1.327
  201    HH   TYR  25           HH       TYR  25   2.230  -8.396   2.574
  202    H    ASN  26           H        ASN  26   2.699  -2.276   1.064
  203    HA   ASN  26           HA       ASN  26   5.370  -1.369   0.067
  204   1HB   ASN  26          HB2       ASN  26   3.881   0.250   1.445
  205   2HB   ASN  26          HB1       ASN  26   4.259  -0.793   2.817
  206   1HD2  ASN  26          1HD2      ASN  26   5.841   0.313   3.993
  207   2HD2  ASN  26          2HD2      ASN  26   7.247   0.990   3.322
  208    H    SER  27           H        SER  27   7.090  -2.589   0.675
  209    HA   SER  27           HA       SER  27   6.730  -5.141   1.960
  210   1HB   SER  27          HB2       SER  27   8.502  -4.663   0.272
  211   2HB   SER  27          HB1       SER  27   9.303  -3.621   1.444
  212    HG   SER  27           HG       SER  27   9.788  -6.078   1.192
  213    H    HIS  28           H        HIS  28   8.467  -2.187   3.025
  214    HA   HIS  28           HA       HIS  28   9.265  -3.030   5.580
  215   1HB   HIS  28          HB2       HIS  28   8.403  -0.299   4.604
  216   2HB   HIS  28          HB1       HIS  28   9.106  -0.573   6.198
  217    HD1  HIS  28           HD1      HIS  28  10.463   1.015   3.724
  218    HD2  HIS  28           HD2      HIS  28  11.374  -2.845   5.005
  219    HE1  HIS  28           HE1      HIS  28  12.810   0.524   2.907
  220    H    LEU  29           H        LEU  29   6.107  -1.839   4.532
  221    HA   LEU  29           HA       LEU  29   5.013  -1.893   7.263
  222   1HB   LEU  29          HB2       LEU  29   4.285  -0.197   5.554
  223   2HB   LEU  29          HB1       LEU  29   3.561  -1.511   4.628
  224    HG   LEU  29           HG       LEU  29   2.513  -1.962   7.131
  225   1HD1  LEU  29          1HD1      LEU  29   3.218   0.917   6.855
  226   2HD1  LEU  29          2HD1      LEU  29   3.035  -0.060   8.312
  227   3HD1  LEU  29          3HD1      LEU  29   1.607   0.555   7.478
  228   1HD2  LEU  29          1HD2      LEU  29   1.154  -0.034   5.261
  229   2HD2  LEU  29          2HD2      LEU  29   0.464  -1.397   6.142
  230   3HD2  LEU  29          3HD2      LEU  29   1.478  -1.685   4.729
  231    H    HIS  30           H        HIS  30   5.174  -3.971   4.466
  232    HA   HIS  30           HA       HIS  30   4.495  -6.191   4.147
  233   1HB   HIS  30          HB2       HIS  30   4.769  -5.847   7.058
  234   2HB   HIS  30          HB1       HIS  30   3.589  -7.086   6.632
  235    HD1  HIS  30           HD1      HIS  30   4.473  -9.225   5.460
  236    HD2  HIS  30           HD2      HIS  30   7.426  -6.380   6.220
  237    HE1  HIS  30           HE1      HIS  30   6.694 -10.362   5.010
  238    H    LYS  31           H        LYS  31   2.673  -3.924   3.919
  239    HA   LYS  31           HA       LYS  31   0.131  -5.363   3.758
  240   1HB   LYS  31          HB2       LYS  31   0.717  -3.493   5.980
  241   2HB   LYS  31          HB1       LYS  31  -0.799  -3.186   5.137
  242   1HG   LYS  31          HG2       LYS  31  -1.096  -5.808   5.377
  243   2HG   LYS  31          HG1       LYS  31   0.038  -5.596   6.711
  244   1HD   LYS  31          HD2       LYS  31  -1.424  -4.199   7.906
  245   2HD   LYS  31          HD1       LYS  31  -2.366  -3.799   6.469
  246   1HE   LYS  31          HE2       LYS  31  -3.420  -5.928   6.435
  247   2HE   LYS  31          HE1       LYS  31  -2.245  -6.616   7.555
  248   1HZ   LYS  31          HZ1       LYS  31  -4.244  -6.164   8.743
  249   2HZ   LYS  31          HZ2       LYS  31  -4.309  -4.570   8.159
  250   3HZ   LYS  31          HZ3       LYS  31  -3.085  -5.031   9.244
  251    H    CYS  32           H        CYS  32  -1.576  -3.297   3.341
  252    HA   CYS  32           HA       CYS  32  -0.441  -2.015   0.918
  253   1HB   CYS  32          HB2       CYS  32  -2.724  -3.185   0.930
  254   2HB   CYS  32          HB1       CYS  32  -3.296  -1.836   1.900
  255    H    GLN  33           H        GLN  33  -0.725   0.266   0.564
  256    HA   GLN  33           HA       GLN  33  -1.357   1.953   2.911
  257   1HB   GLN  33          HB2       GLN  33   1.111   1.525   2.978
  258   2HB   GLN  33          HB1       GLN  33   1.240   2.219   1.362
  259   1HG   GLN  33          HG2       GLN  33   0.480   4.365   2.130
  260   2HG   GLN  33          HG1       GLN  33   0.026   3.707   3.702
  261   1HE2  GLN  33          1HE2      GLN  33   1.510   4.524   5.200
  262   2HE2  GLN  33          2HE2      GLN  33   3.193   4.549   4.980
  263    H    LYS  34           H        LYS  34  -1.787   4.162   2.264
  264    HA   LYS  34           HA       LYS  34  -2.669   4.333  -0.571
  265   1HB   LYS  34          HB2       LYS  34  -4.030   6.259   0.240
  266   2HB   LYS  34          HB1       LYS  34  -4.366   4.781   1.130
  267   1HG   LYS  34          HG2       LYS  34  -3.390   5.539   3.069
  268   2HG   LYS  34          HG1       LYS  34  -2.242   6.567   2.213
  269   1HD   LYS  34          HD2       LYS  34  -5.196   7.168   2.172
  270   2HD   LYS  34          HD1       LYS  34  -4.169   7.732   3.492
  271   1HE   LYS  34          HE2       LYS  34  -2.624   8.604   1.560
  272   2HE   LYS  34          HE1       LYS  34  -4.086   8.480   0.582
  273   1HZ   LYS  34          HZ1       LYS  34  -5.159   9.754   2.523
  274   2HZ   LYS  34          HZ2       LYS  34  -4.200  10.612   1.413
  275   3HZ   LYS  34          HZ3       LYS  34  -3.570  10.181   2.931
  276    H    PHE  35           H        PHE  35  -2.253   6.344  -1.737
  277    HA   PHE  35           HA       PHE  35  -0.170   8.119  -0.677
  278   1HB   PHE  35          HB2       PHE  35   1.498   7.657  -2.260
  279   2HB   PHE  35          HB1       PHE  35   0.905   6.060  -1.824
  280    HD1  PHE  35           HD1      PHE  35  -0.211   4.654  -3.421
  281    HD2  PHE  35           HD2      PHE  35   0.838   8.701  -4.426
  282    HE1  PHE  35           HE1      PHE  35  -0.672   4.189  -5.809
  283    HE2  PHE  35           HE2      PHE  35   0.370   8.232  -6.813
  284    HZ   PHE  35           HZ       PHE  35  -0.381   5.975  -7.504
  285    H    ASN  36           H        ASN  36   0.349   9.806  -2.537
  286    HA   ASN  36           HA       ASN  36  -2.283  10.876  -3.350
  287   1HB   ASN  36          HB2       ASN  36  -0.273  12.099  -2.127
  288   2HB   ASN  36          HB1       ASN  36   0.265  12.349  -3.784
  289   1HD2  ASN  36          1HD2      ASN  36  -2.314  13.112  -1.476
  290   2HD2  ASN  36          2HD2      ASN  36  -3.024  14.337  -2.412
  291    H    TYR  37           H        TYR  37  -3.000  10.803  -5.368
  292    HA   TYR  37           HA       TYR  37  -1.072  10.577  -7.635
  293   1HB   TYR  37          HB2       TYR  37  -2.144   8.350  -7.059
  294   2HB   TYR  37          HB1       TYR  37  -3.700   9.074  -7.470
  295    HD1  TYR  37           HD1      TYR  37  -4.442   8.434  -9.581
  296    HD2  TYR  37           HD2      TYR  37  -0.258   9.177  -8.962
  297    HE1  TYR  37           HE1      TYR  37  -4.009   8.002 -11.983
  298    HE2  TYR  37           HE2      TYR  37   0.176   8.744 -11.360
  299    HH   TYR  37           HH       TYR  37  -1.864   8.902 -13.652
  300    H    GLY  38           H        GLY  38  -2.133  11.242  -9.728
  301   1HA   GLY  38          HA2       GLY  38  -4.322  13.239  -9.286
  302   2HA   GLY  38          HA1       GLY  38  -2.928  13.596 -10.307
  303    H    GLY  39           H        GLY  39  -2.563  11.630 -11.948
  304   1HA   GLY  39          HA2       GLY  39  -3.985   9.898 -13.211
  305   2HA   GLY  39          HA1       GLY  39  -5.181  11.188 -13.323
  306    H    CYS  40           H        CYS  40  -1.659  11.485 -13.664
  307    HA   CYS  40           HA       CYS  40  -2.078  12.458 -16.463
  308   1HB   CYS  40          HB2       CYS  40   0.239  13.141 -14.638
  309   2HB   CYS  40          HB1       CYS  40  -0.207  13.929 -16.152
  310    H    GLY  41           H        GLY  41  -0.303  10.270 -14.386
  311   1HA   GLY  41          HA2       GLY  41   0.399   8.361 -16.252
  312   2HA   GLY  41          HA1       GLY  41   1.718   9.533 -16.345
  313    H    GLY  42           H        GLY  42   0.965   6.695 -14.946
  314   1HA   GLY  42          HA2       GLY  42   2.804   7.183 -12.654
  315   2HA   GLY  42          HA1       GLY  42   1.252   6.406 -12.338
  316    H    ASN  43           H        ASN  43   2.624   4.598 -11.568
  317    HA   ASN  43           HA       ASN  43   3.652   2.908 -13.817
  318   1HB   ASN  43          HB2       ASN  43   4.541   3.150 -10.936
  319   2HB   ASN  43          HB1       ASN  43   5.005   1.785 -11.949
  320   1HD2  ASN  43          1HD2      ASN  43   7.046   2.117 -12.823
  321   2HD2  ASN  43          2HD2      ASN  43   7.653   3.611 -13.353
  322    H    ALA  44           H        ALA  44   3.752   0.465 -12.698
  323    HA   ALA  44           HA       ALA  44   1.010  -0.399 -12.618
  324   1HB   ALA  44          HB1       ALA  44   3.673  -1.716 -12.181
  325   2HB   ALA  44          HB2       ALA  44   2.455  -2.046 -13.414
  326   3HB   ALA  44          HB3       ALA  44   2.198  -2.583 -11.754
  327    H    ASN  45           H        ASN  45   3.345   0.443 -10.134
  328    HA   ASN  45           HA       ASN  45   1.829  -0.731  -7.936
  329   1HB   ASN  45          HB2       ASN  45   4.392   0.572  -8.299
  330   2HB   ASN  45          HB1       ASN  45   3.548   1.283  -6.925
  331   1HD2  ASN  45          1HD2      ASN  45   4.008   0.209  -5.011
  332   2HD2  ASN  45          2HD2      ASN  45   4.341  -1.449  -4.871
  333    H    ASN  46           H        ASN  46  -0.267   0.175  -8.278
  334    HA   ASN  46           HA       ASN  46  -0.911   2.488  -6.769
  335   1HB   ASN  46          HB2       ASN  46   0.148   3.772  -8.556
  336   2HB   ASN  46          HB1       ASN  46  -0.809   2.933  -9.773
  337   1HD2  ASN  46          1HD2      ASN  46  -1.121   5.580  -9.972
  338   2HD2  ASN  46          2HD2      ASN  46  -2.558   6.135  -9.260
  339    H    PHE  47           H        PHE  47  -2.885   1.933  -6.080
  340    HA   PHE  47           HA       PHE  47  -4.811   0.708  -8.031
  341   1HB   PHE  47          HB2       PHE  47  -4.675  -0.041  -5.105
  342   2HB   PHE  47          HB1       PHE  47  -5.551  -0.865  -6.395
  343    HD1  PHE  47           HD1      PHE  47  -2.733  -1.058  -4.393
  344    HD2  PHE  47           HD2      PHE  47  -3.914  -1.459  -8.501
  345    HE1  PHE  47           HE1      PHE  47  -0.730  -2.461  -4.838
  346    HE2  PHE  47           HE2      PHE  47  -1.913  -2.851  -8.948
  347    HZ   PHE  47           HZ       PHE  47  -0.322  -3.352  -7.113
  348    H    LYS  48           H        LYS  48  -6.981   0.563  -6.202
  349    HA   LYS  48           HA       LYS  48  -7.559   3.467  -5.837
  350   1HB   LYS  48          HB2       LYS  48  -8.969   1.456  -7.195
  351   2HB   LYS  48          HB1       LYS  48  -9.885   1.709  -5.711
  352   1HG   LYS  48          HG2       LYS  48  -8.942   4.045  -7.370
  353   2HG   LYS  48          HG1       LYS  48 -10.449   3.209  -7.750
  354   1HD   LYS  48          HD2       LYS  48  -9.853   4.204  -4.962
  355   2HD   LYS  48          HD1       LYS  48 -10.612   5.240  -6.172
  356   1HE   LYS  48          HE2       LYS  48 -12.431   3.623  -6.456
  357   2HE   LYS  48          HE1       LYS  48 -11.662   2.531  -5.304
  358   1HZ   LYS  48          HZ1       LYS  48 -13.378   3.805  -4.223
  359   2HZ   LYS  48          HZ2       LYS  48 -12.669   5.264  -4.726
  360   3HZ   LYS  48          HZ3       LYS  48 -11.864   4.265  -3.612
  361    H    THR  49           H        THR  49  -7.891   0.283  -4.255
  362    HA   THR  49           HA       THR  49  -7.965   1.645  -1.632
  363    HB   THR  49           HB       THR  49  -9.817  -0.113  -1.024
  364    HG1  THR  49           HG1      THR  49 -10.782  -1.032  -2.646
  365   1HG2  THR  49          1HG2      THR  49 -11.570   1.524  -1.806
  366   2HG2  THR  49          2HG2      THR  49 -10.290   2.382  -2.664
  367   3HG2  THR  49          3HG2      THR  49 -10.240   2.250  -0.908
  368    H    ILE  50           H        ILE  50  -8.229  -0.457   0.005
  369    HA   ILE  50           HA       ILE  50  -5.716  -1.887  -0.276
  370    HB   ILE  50           HB       ILE  50  -7.888  -2.393   1.759
  371   1HG1  ILE  50          2HG1      ILE  50  -5.616  -0.683   2.551
  372   2HG1  ILE  50          1HG1      ILE  50  -6.659   0.062   1.345
  373   1HG2  ILE  50          1HG2      ILE  50  -5.587  -2.794   3.060
  374   2HG2  ILE  50          2HG2      ILE  50  -5.017  -3.133   1.427
  375   3HG2  ILE  50          3HG2      ILE  50  -6.347  -4.069   2.108
  376   1HD1  ILE  50          1HD1      ILE  50  -7.522   0.638   3.528
  377   2HD1  ILE  50          2HD1      ILE  50  -7.500  -1.051   4.032
  378   3HD1  ILE  50          3HD1      ILE  50  -8.634  -0.514   2.793
  379    H    ASP  51           H        ASP  51  -9.067  -2.592  -0.976
  380    HA   ASP  51           HA       ASP  51  -9.015  -5.443  -0.888
  381   1HB   ASP  51          HB2       ASP  51 -10.707  -3.360  -2.160
  382   2HB   ASP  51          HB1       ASP  51 -10.779  -4.963  -2.892
  383    H    GLU  52           H        GLU  52  -9.034  -3.510  -3.894
  384    HA   GLU  52           HA       GLU  52  -7.993  -5.566  -5.566
  385   1HB   GLU  52          HB2       GLU  52  -7.851  -2.547  -5.850
  386   2HB   GLU  52          HB1       GLU  52  -7.413  -3.682  -7.128
  387   1HG   GLU  52          HG2       GLU  52 -10.119  -3.686  -5.769
  388   2HG   GLU  52          HG1       GLU  52  -9.788  -2.805  -7.261
  389    H    CYS  53           H        CYS  53  -6.424  -3.153  -3.564
  390    HA   CYS  53           HA       CYS  53  -3.731  -3.479  -4.517
  391   1HB   CYS  53          HB2       CYS  53  -4.262  -1.527  -3.236
  392   2HB   CYS  53          HB1       CYS  53  -4.949  -2.486  -1.936
  393    H    GLN  54           H        GLN  54  -5.689  -5.094  -2.053
  394    HA   GLN  54           HA       GLN  54  -3.588  -6.691  -0.895
  395   1HB   GLN  54          HB2       GLN  54  -5.806  -6.312   0.173
  396   2HB   GLN  54          HB1       GLN  54  -6.557  -7.287  -1.088
  397   1HG   GLN  54          HG2       GLN  54  -4.842  -9.118  -0.367
  398   2HG   GLN  54          HG1       GLN  54  -4.694  -8.160   1.107
  399   1HE2  GLN  54          1HE2      GLN  54  -7.443  -9.212  -0.999
  400   2HE2  GLN  54          2HE2      GLN  54  -8.415  -9.738   0.290
  401    H    ARG  55           H        ARG  55  -6.038  -7.450  -3.388
  402    HA   ARG  55           HA       ARG  55  -5.157 -10.105  -3.927
  403   1HB   ARG  55          HB2       ARG  55  -7.245  -8.565  -4.758
  404   2HB   ARG  55          HB1       ARG  55  -6.246  -8.565  -6.211
  405   1HG   ARG  55          HG2       ARG  55  -7.569 -10.484  -6.495
  406   2HG   ARG  55          HG1       ARG  55  -6.080 -11.138  -5.809
  407   1HD   ARG  55          HD2       ARG  55  -7.142 -10.969  -3.532
  408   2HD   ARG  55          HD1       ARG  55  -8.653 -10.525  -4.329
  409    HE   ARG  55           HE       ARG  55  -7.306 -13.115  -4.965
  410   1HH1  ARG  55          1HH2      ARG  55  -9.119 -12.965  -2.508
  411   2HH1  ARG  55          2HH2      ARG  55 -10.621 -13.514  -3.171
  412   1HH2  ARG  55          1HH1      ARG  55  -9.628 -13.085  -6.466
  413   2HH2  ARG  55          2HH1      ARG  55 -10.907 -13.588  -5.412
  414    H    THR  56           H        THR  56  -4.472  -7.108  -5.760
  415    HA   THR  56           HA       THR  56  -2.754  -8.205  -7.687
  416    HB   THR  56           HB       THR  56  -3.567  -5.947  -7.911
  417    HG1  THR  56           HG1      THR  56  -1.809  -5.390  -8.890
  418   1HG2  THR  56          1HG2      THR  56  -1.730  -4.905  -5.805
  419   2HG2  THR  56          2HG2      THR  56  -3.243  -5.638  -5.286
  420   3HG2  THR  56          3HG2      THR  56  -3.266  -4.253  -6.378
  421    H    CYS  57           H        CYS  57  -1.678  -6.689  -4.576
  422    HA   CYS  57           HA       CYS  57   1.019  -7.850  -5.014
  423   1HB   CYS  57          HB2       CYS  57  -0.105  -5.672  -3.327
  424   2HB   CYS  57          HB1       CYS  57   1.245  -6.571  -2.639
  425    H    ALA  58           H        ALA  58  -1.119  -7.551  -2.157
  426    HA   ALA  58           HA       ALA  58  -1.545  -9.045  -0.394
  427   1HB   ALA  58          HB1       ALA  58  -0.993 -11.501  -1.892
  428   2HB   ALA  58          HB2       ALA  58  -2.031 -10.389  -2.783
  429   3HB   ALA  58          HB3       ALA  58  -2.502 -10.937  -1.176
  430    H    ALA  59           H        ALA  59  -0.334 -11.688  -0.025
  431    HA   ALA  59           HA       ALA  59   1.620 -12.735   0.717
  432   1HB   ALA  59          HB1       ALA  59   3.336 -10.446  -0.187
  433   2HB   ALA  59          HB2       ALA  59   2.599 -11.494  -1.399
  434   3HB   ALA  59          HB3       ALA  59   3.686 -12.175  -0.190
  435    H    LYS  60           H        LYS  60   1.121 -12.519   2.865
  436    HA   LYS  60           HA       LYS  60   2.387 -10.225   4.312
  437   1HB   LYS  60          HB2       LYS  60  -0.289 -11.556   4.738
  438   2HB   LYS  60          HB1       LYS  60   0.530 -10.726   6.061
  439   1HG   LYS  60          HG2       LYS  60   0.671  -8.678   4.659
  440   2HG   LYS  60          HG1       LYS  60  -0.228  -9.510   3.390
  441   1HD   LYS  60          HD2       LYS  60  -1.954  -9.964   5.339
  442   2HD   LYS  60          HD1       LYS  60  -1.178  -8.559   6.070
  443   1HE   LYS  60          HE2       LYS  60  -3.033  -7.740   4.773
  444   2HE   LYS  60          HE1       LYS  60  -1.563  -7.334   3.885
  445   1HZ   LYS  60          HZ1       LYS  60  -3.548  -8.467   2.682
  446   2HZ   LYS  60          HZ2       LYS  60  -2.905  -9.892   3.345
  447   3HZ   LYS  60          HZ3       LYS  60  -1.959  -8.929   2.312
  448    H    TYR  61           H        TYR  61   1.158 -13.555   4.658
  449    HA   TYR  61           HA       TYR  61   3.660 -14.487   5.807
  450   1HB   TYR  61          HB2       TYR  61   1.992 -13.346   7.659
  451   2HB   TYR  61          HB1       TYR  61   1.454 -15.025   7.707
  452    HD1  TYR  61           HD1      TYR  61   4.737 -13.232   7.348
  453    HD2  TYR  61           HD2      TYR  61   2.505 -16.322   9.329
  454    HE1  TYR  61           HE1      TYR  61   6.751 -13.848   8.657
  455    HE2  TYR  61           HE2      TYR  61   4.518 -16.937  10.638
  456    HH   TYR  61           HH       TYR  61   7.252 -16.580  10.080
  457    H    GLY  62           H        GLY  62   0.203 -15.408   6.072
  458   1HA   GLY  62          HA2       GLY  62  -0.690 -17.103   4.454
  459   2HA   GLY  62          HA1       GLY  62   0.863 -17.928   4.591
  460    H    ARG  63           H        ARG  63   0.959 -19.578   6.005
  461    HA   ARG  63           HA       ARG  63   0.459 -21.004   7.795
  462   1HB   ARG  63          HB2       ARG  63   0.530 -18.654   8.998
  463   2HB   ARG  63          HB1       ARG  63  -1.217 -18.877   9.098
  464   1HG   ARG  63          HG2       ARG  63  -0.860 -21.080  10.181
  465   2HG   ARG  63          HG1       ARG  63   0.883 -20.817  10.114
  466   1HD   ARG  63          HD2       ARG  63  -0.888 -18.759  11.405
  467   2HD   ARG  63          HD1       ARG  63  -0.417 -20.200  12.305
  468    HE   ARG  63           HE       ARG  63   1.861 -18.886  11.068
  469   1HH1  ARG  63          1HH1      ARG  63   0.810 -20.097  13.921
  470   2HH1  ARG  63          2HH1      ARG  63   1.410 -18.825  14.931
  471   1HH2  ARG  63          1HH2      ARG  63   2.156 -16.712  12.286
  472   2HH2  ARG  63          2HH2      ARG  63   2.168 -16.910  14.007
  473    H    SER  64           H        SER  64  -0.853 -22.414   6.637
  474    HA   SER  64           HA       SER  64  -3.642 -21.851   6.020
  475   1HB   SER  64          HB2       SER  64  -3.698 -24.209   5.284
  476   2HB   SER  64          HB1       SER  64  -2.290 -23.377   4.629
  477    HG   SER  64           HG       SER  64  -1.091 -24.739   5.672
  478    H    SER  65           H        SER  65  -1.895 -23.557   8.562
  479    HA   SER  65           HA       SER  65  -4.155 -24.857   9.774
  480   1HB   SER  65          HB2       SER  65  -1.330 -24.360  10.440
  481   2HB   SER  65          HB1       SER  65  -2.385 -24.451  11.847
  482    HG   SER  65           HG       SER  65  -2.094 -26.526  11.512
  Start of MODEL    7
    1   1H    LYS   1          HT1       LYS   1   4.478 -18.140  -8.500
    2   2H    LYS   1          HT2       LYS   1   4.250 -19.712  -7.897
    3   3H    LYS   1          HT3       LYS   1   3.376 -19.186  -9.255
    4    HA   LYS   1           HA       LYS   1   6.201 -19.973  -9.045
    5   1HB   LYS   1          HB2       LYS   1   4.091 -21.327  -9.948
    6   2HB   LYS   1          HB1       LYS   1   4.423 -20.401 -11.412
    7   1HG   LYS   1          HG2       LYS   1   5.724 -22.349 -11.686
    8   2HG   LYS   1          HG1       LYS   1   6.879 -21.158 -11.090
    9   1HD   LYS   1          HD2       LYS   1   5.947 -22.161  -8.734
   10   2HD   LYS   1          HD1       LYS   1   5.816 -23.585  -9.764
   11   1HE   LYS   1          HE2       LYS   1   8.303 -21.917  -9.297
   12   2HE   LYS   1          HE1       LYS   1   8.023 -23.569  -8.746
   13   1HZ   LYS   1          HZ1       LYS   1   8.518 -22.580 -11.472
   14   2HZ   LYS   1          HZ2       LYS   1   7.638 -24.016 -11.247
   15   3HZ   LYS   1          HZ3       LYS   1   9.228 -23.889 -10.661
   16    H    ASN   2           H        ASN   2   4.020 -17.700 -10.609
   17    HA   ASN   2           HA       ASN   2   6.371 -16.282 -11.746
   18   1HB   ASN   2          HB2       ASN   2   4.194 -17.586 -13.278
   19   2HB   ASN   2          HB1       ASN   2   4.570 -15.934 -13.767
   20   1HD2  ASN   2          1HD2      ASN   2   7.237 -15.651 -13.653
   21   2HD2  ASN   2          2HD2      ASN   2   8.058 -16.849 -14.531
   22    H    ARG   3           H        ARG   3   6.106 -14.606 -10.289
   23    HA   ARG   3           HA       ARG   3   3.771 -12.833 -10.754
   24   1HB   ARG   3          HB2       ARG   3   4.720 -13.784  -8.033
   25   2HB   ARG   3          HB1       ARG   3   3.615 -12.431  -8.272
   26   1HG   ARG   3          HG2       ARG   3   2.007 -14.044  -8.097
   27   2HG   ARG   3          HG1       ARG   3   2.394 -14.333  -9.793
   28   1HD   ARG   3          HD2       ARG   3   2.878 -16.454  -9.178
   29   2HD   ARG   3          HD1       ARG   3   4.331 -15.797  -8.423
   30    HE   ARG   3           HE       ARG   3   2.594 -15.451  -6.409
   31   1HH1  ARG   3          1HH2      ARG   3   1.162 -17.569  -8.370
   32   2HH1  ARG   3          2HH2      ARG   3   1.368 -18.984  -7.392
   33   1HH2  ARG   3          1HH1      ARG   3   3.633 -17.485  -5.234
   34   2HH2  ARG   3          2HH1      ARG   3   2.766 -18.935  -5.613
   35    HA   PRO   4           HA       PRO   4   7.079  -9.857 -10.702
   36   1HB   PRO   4          HB2       PRO   4   5.598  -7.563 -10.487
   37   2HB   PRO   4          HB1       PRO   4   5.697  -8.510 -11.983
   38   1HG   PRO   4          HG2       PRO   4   3.456  -8.306 -10.024
   39   2HG   PRO   4          HG1       PRO   4   3.400  -8.658 -11.762
   40   1HD   PRO   4          HD2       PRO   4   3.181 -10.563  -9.678
   41   2HD   PRO   4          HD1       PRO   4   3.466 -10.923 -11.395
   42    H    THR   5           H        THR   5   7.648  -7.745  -9.388
   43    HA   THR   5           HA       THR   5   6.819  -8.001  -6.534
   44    HB   THR   5           HB       THR   5   9.179  -7.539  -5.861
   45    HG1  THR   5           HG1      THR   5  10.723  -7.359  -7.349
   46   1HG2  THR   5          1HG2      THR   5   8.683  -9.957  -7.610
   47   2HG2  THR   5          2HG2      THR   5   8.504  -9.845  -5.859
   48   3HG2  THR   5          3HG2      THR   5  10.108  -9.776  -6.587
   49    H    PHE   6           H        PHE   6   6.278  -6.163  -8.936
   50    HA   PHE   6           HA       PHE   6   7.348  -3.642  -8.831
   51   1HB   PHE   6          HB2       PHE   6   5.278  -2.828  -9.734
   52   2HB   PHE   6          HB1       PHE   6   5.485  -4.473 -10.324
   53    HD1  PHE   6           HD1      PHE   6   4.529  -6.242  -8.266
   54    HD2  PHE   6           HD2      PHE   6   3.071  -2.342  -9.315
   55    HE1  PHE   6           HE1      PHE   6   2.355  -6.819  -7.301
   56    HE2  PHE   6           HE2      PHE   6   0.866  -2.920  -8.347
   57    HZ   PHE   6           HZ       PHE   6   0.500  -5.159  -7.334
   58    H    CYS   7           H        CYS   7   5.293  -5.103  -6.373
   59    HA   CYS   7           HA       CYS   7   4.394  -2.861  -4.897
   60   1HB   CYS   7          HB2       CYS   7   5.508  -5.442  -3.747
   61   2HB   CYS   7          HB1       CYS   7   4.406  -4.329  -2.940
   62    H    ASN   8           H        ASN   8   7.632  -4.168  -5.205
   63    HA   ASN   8           HA       ASN   8   8.683  -2.227  -3.193
   64   1HB   ASN   8          HB2       ASN   8   9.816  -4.734  -4.461
   65   2HB   ASN   8          HB1       ASN   8  10.844  -3.584  -3.607
   66   1HD2  ASN   8          1HD2      ASN   8   7.797  -5.454  -3.097
   67   2HD2  ASN   8          2HD2      ASN   8   8.064  -5.716  -1.443
   68    H    LEU   9           H        LEU   9   7.691  -1.467  -5.839
   69    HA   LEU   9           HA       LEU   9  10.149  -0.778  -7.370
   70   1HB   LEU   9          HB2       LEU   9   8.041  -1.836  -8.411
   71   2HB   LEU   9          HB1       LEU   9   7.296  -0.253  -8.202
   72    HG   LEU   9           HG       LEU   9   9.453   0.627  -9.398
   73   1HD1  LEU   9          1HD1      LEU   9   9.400  -2.320 -10.089
   74   2HD1  LEU   9          2HD1      LEU   9  10.758  -1.375  -9.476
   75   3HD1  LEU   9          3HD1      LEU   9  10.181  -1.121 -11.122
   76   1HD2  LEU   9          1HD2      LEU   9   7.051  -0.748 -10.575
   77   2HD2  LEU   9          2HD2      LEU   9   8.291  -0.103 -11.654
   78   3HD2  LEU   9          3HD2      LEU   9   7.444   0.972 -10.540
   79    H    LEU  10           H        LEU  10   7.606   0.657  -5.435
   80    HA   LEU  10           HA       LEU  10   7.316   2.843  -4.638
   81   1HB   LEU  10          HB2       LEU  10  10.010   2.505  -4.637
   82   2HB   LEU  10          HB1       LEU  10   9.872   3.836  -5.786
   83    HG   LEU  10           HG       LEU  10   8.263   4.031  -3.284
   84   1HD1  LEU  10          1HD1      LEU  10  10.275   5.032  -2.127
   85   2HD1  LEU  10          2HD1      LEU  10  11.273   4.351  -3.410
   86   3HD1  LEU  10          3HD1      LEU  10  10.358   3.284  -2.346
   87   1HD2  LEU  10          1HD2      LEU  10   9.998   6.204  -4.351
   88   2HD2  LEU  10          2HD2      LEU  10   8.340   6.280  -3.754
   89   3HD2  LEU  10          3HD2      LEU  10   8.665   5.679  -5.380
   90    HA   PRO  11           HA       PRO  11   6.012   4.197  -8.820
   91   1HB   PRO  11          HB2       PRO  11   3.553   5.130  -8.028
   92   2HB   PRO  11          HB1       PRO  11   3.874   3.439  -8.447
   93   1HG   PRO  11          HG2       PRO  11   3.498   4.668  -5.752
   94   2HG   PRO  11          HG1       PRO  11   3.156   3.016  -6.289
   95   1HD   PRO  11          HD2       PRO  11   5.403   3.809  -4.791
   96   2HD   PRO  11          HD1       PRO  11   5.238   2.276  -5.672
   97    H    GLU  12           H        GLU  12   4.677   6.465  -9.265
   98    HA   GLU  12           HA       GLU  12   5.720   8.639  -7.537
   99   1HB   GLU  12          HB2       GLU  12   6.349   8.359 -10.496
  100   2HB   GLU  12          HB1       GLU  12   6.636   9.820  -9.552
  101   1HG   GLU  12          HG2       GLU  12   7.821   7.106  -8.895
  102   2HG   GLU  12          HG1       GLU  12   8.674   8.383  -9.761
  103    H    THR  13           H        THR  13   4.735  10.749  -8.147
  104    HA   THR  13           HA       THR  13   1.908  10.457  -8.775
  105    HB   THR  13           HB       THR  13   2.119  13.083  -8.724
  106    HG1  THR  13           HG1      THR  13   4.082  13.725  -8.471
  107   1HG2  THR  13          1HG2      THR  13   2.272  12.931  -6.172
  108   2HG2  THR  13          2HG2      THR  13   2.512  11.199  -6.401
  109   3HG2  THR  13          3HG2      THR  13   1.019  11.963  -6.948
  110    H    GLY  14           H        GLY  14   4.776  11.662 -10.437
  111   1HA   GLY  14          HA2       GLY  14   4.948  11.438 -12.881
  112   2HA   GLY  14          HA1       GLY  14   3.216  11.760 -12.983
  113    H    ARG  15           H        ARG  15   2.549  13.933 -12.072
  114    HA   ARG  15           HA       ARG  15   4.365  16.114 -11.772
  115   1HB   ARG  15          HB2       ARG  15   3.793  15.308 -14.522
  116   2HB   ARG  15          HB1       ARG  15   3.295  16.973 -14.222
  117   1HG   ARG  15          HG2       ARG  15   5.459  17.677 -13.725
  118   2HG   ARG  15          HG1       ARG  15   5.984  16.062 -13.246
  119   1HD   ARG  15          HD2       ARG  15   6.985  16.130 -15.313
  120   2HD   ARG  15          HD1       ARG  15   5.395  15.562 -15.822
  121    HE   ARG  15           HE       ARG  15   5.220  18.353 -15.842
  122   1HH1  ARG  15          1HH1      ARG  15   5.086  16.377 -18.217
  123   2HH1  ARG  15          2HH1      ARG  15   6.298  17.054 -19.253
  124   1HH2  ARG  15          1HH2      ARG  15   7.680  19.046 -16.771
  125   2HH2  ARG  15          2HH2      ARG  15   7.770  18.567 -18.433
  126    H    CYS  16           H        CYS  16   1.858  15.055 -10.691
  127    HA   CYS  16           HA       CYS  16   0.309  17.548 -10.612
  128   1HB   CYS  16          HB2       CYS  16  -0.810  14.939 -11.665
  129   2HB   CYS  16          HB1       CYS  16  -1.840  16.202 -10.993
  130    H    ASN  17           H        ASN  17  -0.402  17.820  -8.550
  131    HA   ASN  17           HA       ASN  17  -0.361  15.453  -6.716
  132   1HB   ASN  17          HB2       ASN  17   0.335  18.355  -6.242
  133   2HB   ASN  17          HB1       ASN  17   0.009  17.239  -4.914
  134   1HD2  ASN  17          1HD2      ASN  17   1.314  15.015  -5.249
  135   2HD2  ASN  17          2HD2      ASN  17   2.945  15.212  -5.682
  136    H    ALA  18           H        ALA  18  -2.251  14.932  -5.777
  137    HA   ALA  18           HA       ALA  18  -4.253  16.880  -4.974
  138   1HB   ALA  18          HB1       ALA  18  -5.168  14.952  -7.103
  139   2HB   ALA  18          HB2       ALA  18  -4.524  16.535  -7.542
  140   3HB   ALA  18          HB3       ALA  18  -5.964  16.418  -6.530
  141    H    LEU  19           H        LEU  19  -5.723  15.930  -3.513
  142    HA   LEU  19           HA       LEU  19  -4.954  13.438  -2.300
  143   1HB   LEU  19          HB2       LEU  19  -6.386  15.532  -1.411
  144   2HB   LEU  19          HB1       LEU  19  -7.717  14.471  -1.873
  145    HG   LEU  19           HG       LEU  19  -6.156  12.681  -0.585
  146   1HD1  LEU  19          1HD1      LEU  19  -5.751  15.272   0.937
  147   2HD1  LEU  19          2HD1      LEU  19  -4.502  14.519  -0.055
  148   3HD1  LEU  19          3HD1      LEU  19  -5.126  13.678   1.363
  149   1HD2  LEU  19          1HD2      LEU  19  -7.853  12.658   0.963
  150   2HD2  LEU  19          2HD2      LEU  19  -8.608  13.750  -0.197
  151   3HD2  LEU  19          3HD2      LEU  19  -7.783  14.403   1.218
  152    H    ILE  20           H        ILE  20  -5.374  11.438  -3.056
  153    HA   ILE  20           HA       ILE  20  -7.989  10.746  -4.168
  154    HB   ILE  20           HB       ILE  20  -5.444  10.490  -5.832
  155   1HG1  ILE  20          2HG1      ILE  20  -8.019  12.052  -6.271
  156   2HG1  ILE  20          1HG1      ILE  20  -6.430  12.739  -5.949
  157   1HG2  ILE  20          1HG2      ILE  20  -6.798   9.325  -7.470
  158   2HG2  ILE  20          2HG2      ILE  20  -8.260   9.589  -6.519
  159   3HG2  ILE  20          3HG2      ILE  20  -7.003   8.504  -5.923
  160   1HD1  ILE  20          1HD1      ILE  20  -6.927  12.848  -8.352
  161   2HD1  ILE  20          2HD1      ILE  20  -7.187  11.104  -8.390
  162   3HD1  ILE  20          3HD1      ILE  20  -5.580  11.748  -8.058
  163    HA   PRO  21           HA       PRO  21  -6.619   7.269  -1.811
  164   1HB   PRO  21          HB2       PRO  21  -8.497   5.415  -2.607
  165   2HB   PRO  21          HB1       PRO  21  -8.804   6.693  -1.421
  166   1HG   PRO  21          HG2       PRO  21  -9.663   6.528  -4.277
  167   2HG   PRO  21          HG1       PRO  21 -10.448   7.343  -2.912
  168   1HD   PRO  21          HD2       PRO  21  -8.935   8.623  -4.895
  169   2HD   PRO  21          HD1       PRO  21  -9.335   9.315  -3.309
  170    H    ALA  22           H        ALA  22  -4.682   7.368  -3.346
  171    HA   ALA  22           HA       ALA  22  -4.660   5.153  -5.330
  172   1HB   ALA  22          HB1       ALA  22  -2.285   6.902  -4.779
  173   2HB   ALA  22          HB2       ALA  22  -3.635   7.558  -5.707
  174   3HB   ALA  22          HB3       ALA  22  -2.774   6.132  -6.287
  175    H    PHE  23           H        PHE  23  -4.456   3.316  -4.211
  176    HA   PHE  23           HA       PHE  23  -2.525   3.162  -1.947
  177   1HB   PHE  23          HB2       PHE  23  -4.886   1.493  -2.799
  178   2HB   PHE  23          HB1       PHE  23  -3.778   0.985  -1.544
  179    HD1  PHE  23           HD1      PHE  23  -5.282   4.392  -2.291
  180    HD2  PHE  23           HD2      PHE  23  -4.883   1.105   0.480
  181    HE1  PHE  23           HE1      PHE  23  -6.609   5.635  -0.651
  182    HE2  PHE  23           HE2      PHE  23  -6.231   2.377   2.136
  183    HZ   PHE  23           HZ       PHE  23  -7.099   4.633   1.575
  184    H    TYR  24           H        TYR  24  -1.016   1.499  -1.813
  185    HA   TYR  24           HA       TYR  24  -0.892  -0.575  -3.837
  186   1HB   TYR  24          HB2       TYR  24   1.327  -0.120  -4.703
  187   2HB   TYR  24          HB1       TYR  24   0.253   1.229  -5.050
  188    HD1  TYR  24           HD1      TYR  24   0.836   3.365  -4.469
  189    HD2  TYR  24           HD2      TYR  24   2.764   0.050  -2.535
  190    HE1  TYR  24           HE1      TYR  24   2.431   4.930  -3.347
  191    HE2  TYR  24           HE2      TYR  24   4.348   1.588  -1.430
  192    HH   TYR  24           HH       TYR  24   3.897   4.709  -1.018
  193    H    TYR  25           H        TYR  25   1.103  -2.046  -3.366
  194    HA   TYR  25           HA       TYR  25   1.035  -2.511  -0.461
  195   1HB   TYR  25          HB2       TYR  25   0.695  -4.307  -2.174
  196   2HB   TYR  25          HB1       TYR  25   2.399  -4.164  -2.584
  197    HD1  TYR  25           HD1      TYR  25  -0.008  -5.073   0.079
  198    HD2  TYR  25           HD2      TYR  25   4.116  -5.019  -1.118
  199    HE1  TYR  25           HE1      TYR  25   0.560  -6.586   1.958
  200    HE2  TYR  25           HE2      TYR  25   4.684  -6.528   0.763
  201    HH   TYR  25           HH       TYR  25   2.421  -8.283   2.454
  202    H    ASN  26           H        ASN  26   2.579  -2.147   0.904
  203    HA   ASN  26           HA       ASN  26   5.268  -1.258  -0.049
  204   1HB   ASN  26          HB2       ASN  26   3.854   0.375   1.286
  205   2HB   ASN  26          HB1       ASN  26   3.978  -0.739   2.646
  206   1HD2  ASN  26          1HD2      ASN  26   5.159   2.076   2.163
  207   2HD2  ASN  26          2HD2      ASN  26   6.811   1.889   2.510
  208    H    SER  27           H        SER  27   6.896  -2.633   0.363
  209    HA   SER  27           HA       SER  27   6.532  -5.126   1.758
  210   1HB   SER  27          HB2       SER  27   8.278  -4.263  -0.102
  211   2HB   SER  27          HB1       SER  27   9.281  -4.076   1.333
  212    HG   SER  27           HG       SER  27   9.306  -6.197   0.260
  213    H    HIS  28           H        HIS  28   7.386  -1.955   2.856
  214    HA   HIS  28           HA       HIS  28   9.041  -2.581   5.093
  215   1HB   HIS  28          HB2       HIS  28   8.387  -0.279   4.026
  216   2HB   HIS  28          HB1       HIS  28   7.045  -0.336   5.169
  217    HD1  HIS  28           HD1      HIS  28   9.423   1.721   5.390
  218    HD2  HIS  28           HD2      HIS  28   9.156  -1.854   7.517
  219    HE1  HIS  28           HE1      HIS  28  10.862   2.007   7.454
  220    H    LEU  29           H        LEU  29   5.570  -1.683   5.214
  221    HA   LEU  29           HA       LEU  29   5.301  -2.993   7.829
  222   1HB   LEU  29          HB2       LEU  29   2.899  -2.216   7.637
  223   2HB   LEU  29          HB1       LEU  29   4.098  -0.926   7.573
  224    HG   LEU  29           HG       LEU  29   3.520  -2.042   4.922
  225   1HD1  LEU  29          1HD1      LEU  29   1.281  -2.012   6.479
  226   2HD1  LEU  29          2HD1      LEU  29   1.271  -1.736   4.737
  227   3HD1  LEU  29          3HD1      LEU  29   1.262  -0.366   5.847
  228   1HD2  LEU  29          1HD2      LEU  29   4.723   0.119   5.545
  229   2HD2  LEU  29          2HD2      LEU  29   3.142   0.772   5.977
  230   3HD2  LEU  29          3HD2      LEU  29   3.467   0.279   4.315
  231    H    HIS  30           H        HIS  30   5.268  -4.207   4.742
  232    HA   HIS  30           HA       HIS  30   4.483  -6.213   3.825
  233   1HB   HIS  30          HB2       HIS  30   4.747  -6.619   6.693
  234   2HB   HIS  30          HB1       HIS  30   3.404  -7.574   6.067
  235    HD1  HIS  30           HD1      HIS  30   3.985  -9.621   4.673
  236    HD2  HIS  30           HD2      HIS  30   7.272  -7.160   5.392
  237    HE1  HIS  30           HE1      HIS  30   6.017 -10.887   3.839
  238    H    LYS  31           H        LYS  31   2.751  -3.932   3.931
  239    HA   LYS  31           HA       LYS  31   0.146  -5.268   3.595
  240   1HB   LYS  31          HB2       LYS  31   0.764  -3.900   6.017
  241   2HB   LYS  31          HB1       LYS  31  -0.359  -2.876   5.123
  242   1HG   LYS  31          HG2       LYS  31  -2.013  -4.572   5.037
  243   2HG   LYS  31          HG1       LYS  31  -0.858  -5.835   5.462
  244   1HD   LYS  31          HD2       LYS  31  -2.223  -5.340   7.413
  245   2HD   LYS  31          HD1       LYS  31  -0.584  -4.758   7.707
  246   1HE   LYS  31          HE2       LYS  31  -1.205  -2.546   7.616
  247   2HE   LYS  31          HE1       LYS  31  -2.480  -2.845   6.435
  248   1HZ   LYS  31          HZ1       LYS  31  -3.606  -2.363   8.394
  249   2HZ   LYS  31          HZ2       LYS  31  -2.539  -3.269   9.357
  250   3HZ   LYS  31          HZ3       LYS  31  -3.640  -4.057   8.330
  251    H    CYS  32           H        CYS  32  -1.460  -3.115   3.261
  252    HA   CYS  32           HA       CYS  32  -0.273  -1.828   0.863
  253   1HB   CYS  32          HB2       CYS  32  -2.629  -2.956   0.960
  254   2HB   CYS  32          HB1       CYS  32  -3.120  -1.465   1.752
  255    H    GLN  33           H        GLN  33  -0.517   0.440   0.522
  256    HA   GLN  33           HA       GLN  33  -1.064   2.119   2.904
  257   1HB   GLN  33          HB2       GLN  33   1.405   1.697   2.843
  258   2HB   GLN  33          HB1       GLN  33   1.448   2.396   1.222
  259   1HG   GLN  33          HG2       GLN  33   0.632   4.524   2.063
  260   2HG   GLN  33          HG1       GLN  33   0.413   3.844   3.675
  261   1HE2  GLN  33          1HE2      GLN  33   2.192   3.977   5.080
  262   2HE2  GLN  33          2HE2      GLN  33   3.766   4.389   4.601
  263    H    LYS  34           H        LYS  34  -1.680   4.256   2.312
  264    HA   LYS  34           HA       LYS  34  -2.583   4.457  -0.511
  265   1HB   LYS  34          HB2       LYS  34  -4.146   6.156   0.317
  266   2HB   LYS  34          HB1       LYS  34  -4.249   4.711   1.314
  267   1HG   LYS  34          HG2       LYS  34  -2.811   5.736   3.014
  268   2HG   LYS  34          HG1       LYS  34  -2.652   7.184   2.019
  269   1HD   LYS  34          HD2       LYS  34  -4.364   7.693   3.594
  270   2HD   LYS  34          HD1       LYS  34  -5.213   7.323   2.091
  271   1HE   LYS  34          HE2       LYS  34  -5.370   4.914   2.952
  272   2HE   LYS  34          HE1       LYS  34  -4.864   5.551   4.516
  273   1HZ   LYS  34          HZ1       LYS  34  -6.759   7.231   4.119
  274   2HZ   LYS  34          HZ2       LYS  34  -7.146   5.660   4.640
  275   3HZ   LYS  34          HZ3       LYS  34  -7.334   6.086   3.007
  276    H    PHE  35           H        PHE  35  -2.166   6.376  -1.720
  277    HA   PHE  35           HA       PHE  35  -0.199   8.272  -0.594
  278   1HB   PHE  35          HB2       PHE  35   1.431   7.924  -2.251
  279   2HB   PHE  35          HB1       PHE  35   0.912   6.297  -1.831
  280    HD1  PHE  35           HD1      PHE  35  -0.010   4.842  -3.460
  281    HD2  PHE  35           HD2      PHE  35   0.460   9.022  -4.331
  282    HE1  PHE  35           HE1      PHE  35  -0.509   4.403  -5.849
  283    HE2  PHE  35           HE2      PHE  35  -0.048   8.582  -6.719
  284    HZ   PHE  35           HZ       PHE  35  -0.534   6.272  -7.477
  285    H    ASN  36           H        ASN  36   0.173  10.107  -2.247
  286    HA   ASN  36           HA       ASN  36  -2.492  11.063  -3.096
  287   1HB   ASN  36          HB2       ASN  36  -1.057  12.469  -1.647
  288   2HB   ASN  36          HB1       ASN  36   0.155  12.502  -2.920
  289   1HD2  ASN  36          1HD2      ASN  36  -2.221  14.390  -1.646
  290   2HD2  ASN  36          2HD2      ASN  36  -2.683  15.256  -3.029
  291    H    TYR  37           H        TYR  37  -3.101  11.060  -5.172
  292    HA   TYR  37           HA       TYR  37  -1.019  11.108  -7.321
  293   1HB   TYR  37          HB2       TYR  37  -2.041   8.827  -7.051
  294   2HB   TYR  37          HB1       TYR  37  -3.616   9.537  -7.405
  295    HD1  TYR  37           HD1      TYR  37  -4.324   9.158  -9.586
  296    HD2  TYR  37           HD2      TYR  37  -0.154   9.855  -8.835
  297    HE1  TYR  37           HE1      TYR  37  -3.859   8.994 -12.017
  298    HE2  TYR  37           HE2      TYR  37   0.311   9.694 -11.264
  299    HH   TYR  37           HH       TYR  37  -0.924   8.478 -13.294
  300    H    GLY  38           H        GLY  38  -1.861  12.017  -9.376
  301   1HA   GLY  38          HA2       GLY  38  -4.142  13.909  -8.931
  302   2HA   GLY  38          HA1       GLY  38  -2.695  14.365  -9.832
  303    H    GLY  39           H        GLY  39  -2.196  12.594 -11.641
  304   1HA   GLY  39          HA2       GLY  39  -3.546  10.942 -13.110
  305   2HA   GLY  39          HA1       GLY  39  -4.727  12.251 -13.196
  306    H    CYS  40           H        CYS  40  -1.167  12.093 -13.460
  307    HA   CYS  40           HA       CYS  40  -1.339  13.258 -16.191
  308   1HB   CYS  40          HB2       CYS  40   0.417  14.370 -13.977
  309   2HB   CYS  40          HB1       CYS  40   0.337  14.960 -15.638
  310    H    GLY  41           H        GLY  41  -0.641  10.599 -15.039
  311   1HA   GLY  41          HA2       GLY  41   0.908   9.076 -16.201
  312   2HA   GLY  41          HA1       GLY  41   2.112  10.364 -16.178
  313    H    GLY  42           H        GLY  42   2.432   7.667 -15.132
  314   1HA   GLY  42          HA2       GLY  42   3.772   8.178 -12.693
  315   2HA   GLY  42          HA1       GLY  42   2.175   7.549 -12.288
  316    H    ASN  43           H        ASN  43   3.598   5.758 -11.380
  317    HA   ASN  43           HA       ASN  43   4.716   3.907 -13.400
  318   1HB   ASN  43          HB2       ASN  43   4.839   4.165 -10.427
  319   2HB   ASN  43          HB1       ASN  43   5.063   2.558 -11.121
  320   1HD2  ASN  43          1HD2      ASN  43   7.026   2.137 -12.271
  321   2HD2  ASN  43          2HD2      ASN  43   8.274   3.277 -12.416
  322    H    ALA  44           H        ALA  44   4.177   1.439 -12.509
  323    HA   ALA  44           HA       ALA  44   1.332   1.095 -13.126
  324   1HB   ALA  44          HB1       ALA  44   2.810  -0.486 -14.142
  325   2HB   ALA  44          HB2       ALA  44   1.946  -1.370 -12.883
  326   3HB   ALA  44          HB3       ALA  44   3.603  -0.834 -12.606
  327    H    ASN  45           H        ASN  45   3.279   1.265 -10.262
  328    HA   ASN  45           HA       ASN  45   1.482  -0.293  -8.568
  329   1HB   ASN  45          HB2       ASN  45   3.982   1.282  -8.203
  330   2HB   ASN  45          HB1       ASN  45   2.935   1.112  -6.792
  331   1HD2  ASN  45          1HD2      ASN  45   2.337  -1.162  -6.167
  332   2HD2  ASN  45          2HD2      ASN  45   3.404  -2.427  -6.543
  333    H    ASN  46           H        ASN  46  -0.559   0.579  -8.513
  334    HA   ASN  46           HA       ASN  46  -1.133   2.789  -6.827
  335   1HB   ASN  46          HB2       ASN  46  -2.009   4.395  -8.535
  336   2HB   ASN  46          HB1       ASN  46  -0.255   4.203  -8.596
  337   1HD2  ASN  46          1HD2      ASN  46   0.658   3.017 -10.431
  338   2HD2  ASN  46          2HD2      ASN  46  -0.266   2.672 -11.812
  339    H    PHE  47           H        PHE  47  -2.964   2.005  -5.998
  340    HA   PHE  47           HA       PHE  47  -5.013   0.844  -7.869
  341   1HB   PHE  47          HB2       PHE  47  -4.702   0.163  -4.935
  342   2HB   PHE  47          HB1       PHE  47  -5.690  -0.672  -6.130
  343    HD1  PHE  47           HD1      PHE  47  -4.161  -1.288  -8.370
  344    HD2  PHE  47           HD2      PHE  47  -2.792  -0.957  -4.308
  345    HE1  PHE  47           HE1      PHE  47  -2.237  -2.765  -8.899
  346    HE2  PHE  47           HE2      PHE  47  -0.871  -2.439  -4.842
  347    HZ   PHE  47           HZ       PHE  47  -0.597  -3.341  -7.131
  348    H    LYS  48           H        LYS  48  -7.110   0.719  -5.973
  349    HA   LYS  48           HA       LYS  48  -7.660   3.624  -5.538
  350   1HB   LYS  48          HB2       LYS  48  -9.380   1.311  -6.359
  351   2HB   LYS  48          HB1       LYS  48 -10.116   2.646  -5.471
  352   1HG   LYS  48          HG2       LYS  48  -9.169   4.236  -7.142
  353   2HG   LYS  48          HG1       LYS  48  -8.551   2.863  -8.059
  354   1HD   LYS  48          HD2       LYS  48 -10.617   3.369  -9.098
  355   2HD   LYS  48          HD1       LYS  48 -10.984   1.999  -8.049
  356   1HE   LYS  48          HE2       LYS  48 -12.663   3.323  -7.276
  357   2HE   LYS  48          HE1       LYS  48 -11.388   4.104  -6.341
  358   1HZ   LYS  48          HZ1       LYS  48 -12.900   5.535  -7.829
  359   2HZ   LYS  48          HZ2       LYS  48 -11.940   4.958  -9.107
  360   3HZ   LYS  48          HZ3       LYS  48 -11.230   5.834  -7.836
  361    H    THR  49           H        THR  49  -7.747   0.414  -4.071
  362    HA   THR  49           HA       THR  49  -7.748   1.591  -1.395
  363    HB   THR  49           HB       THR  49  -9.686  -0.233  -0.907
  364    HG1  THR  49           HG1      THR  49 -10.445  -0.805  -2.782
  365   1HG2  THR  49          1HG2      THR  49 -10.257   1.763   0.000
  366   2HG2  THR  49          2HG2      THR  49 -11.233   1.944  -1.456
  367   3HG2  THR  49          3HG2      THR  49  -9.633   2.675  -1.372
  368    H    ILE  50           H        ILE  50  -8.074  -0.565   0.129
  369    HA   ILE  50           HA       ILE  50  -5.725  -2.163  -0.400
  370    HB   ILE  50           HB       ILE  50  -6.358  -1.562   1.880
  371   1HG1  ILE  50          2HG1      ILE  50  -6.730  -4.543   1.704
  372   2HG1  ILE  50          1HG1      ILE  50  -5.196  -3.803   1.248
  373   1HG2  ILE  50          1HG2      ILE  50  -8.383  -3.214   2.674
  374   2HG2  ILE  50          2HG2      ILE  50  -8.909  -2.794   1.044
  375   3HG2  ILE  50          3HG2      ILE  50  -8.609  -1.523   2.228
  376   1HD1  ILE  50          1HD1      ILE  50  -4.670  -3.256   3.401
  377   2HD1  ILE  50          2HD1      ILE  50  -5.799  -4.553   3.791
  378   3HD1  ILE  50          3HD1      ILE  50  -6.340  -2.875   3.820
  379    H    ASP  51           H        ASP  51  -9.016  -2.482  -1.359
  380    HA   ASP  51           HA       ASP  51  -9.257  -5.341  -1.373
  381   1HB   ASP  51          HB2       ASP  51 -10.601  -3.095  -2.855
  382   2HB   ASP  51          HB1       ASP  51 -10.881  -4.760  -3.368
  383    H    GLU  52           H        GLU  52  -8.740  -3.199  -4.191
  384    HA   GLU  52           HA       GLU  52  -7.756  -5.230  -5.940
  385   1HB   GLU  52          HB2       GLU  52  -8.441  -2.652  -6.292
  386   2HB   GLU  52          HB1       GLU  52  -6.691  -2.455  -6.205
  387   1HG   GLU  52          HG2       GLU  52  -6.849  -2.906  -8.449
  388   2HG   GLU  52          HG1       GLU  52  -6.796  -4.571  -7.867
  389    H    CYS  53           H        CYS  53  -6.233  -3.281  -3.473
  390    HA   CYS  53           HA       CYS  53  -3.475  -3.721  -4.135
  391   1HB   CYS  53          HB2       CYS  53  -4.595  -2.039  -2.496
  392   2HB   CYS  53          HB1       CYS  53  -4.541  -3.371  -1.346
  393    H    GLN  54           H        GLN  54  -5.615  -5.256  -1.730
  394    HA   GLN  54           HA       GLN  54  -3.772  -7.197  -0.786
  395   1HB   GLN  54          HB2       GLN  54  -5.896  -6.614   0.347
  396   2HB   GLN  54          HB1       GLN  54  -6.791  -7.404  -0.950
  397   1HG   GLN  54          HG2       GLN  54  -4.658  -8.987   0.420
  398   2HG   GLN  54          HG1       GLN  54  -6.162  -8.704   1.297
  399   1HE2  GLN  54          1HE2      GLN  54  -4.934 -11.165  -0.246
  400   2HE2  GLN  54          2HE2      GLN  54  -6.241 -11.706  -1.185
  401    H    ARG  55           H        ARG  55  -6.133  -7.390  -3.441
  402    HA   ARG  55           HA       ARG  55  -5.756 -10.169  -4.021
  403   1HB   ARG  55          HB2       ARG  55  -7.619  -8.508  -4.783
  404   2HB   ARG  55          HB1       ARG  55  -6.531  -8.181  -6.132
  405   1HG   ARG  55          HG2       ARG  55  -6.479 -10.570  -6.696
  406   2HG   ARG  55          HG1       ARG  55  -7.525 -10.929  -5.321
  407   1HD   ARG  55          HD2       ARG  55  -8.969 -10.832  -7.221
  408   2HD   ARG  55          HD1       ARG  55  -9.213  -9.315  -6.355
  409    HE   ARG  55           HE       ARG  55  -7.170  -8.852  -8.250
  410   1HH1  ARG  55          1HH1      ARG  55  -8.889 -10.661  -9.925
  411   2HH1  ARG  55          2HH1      ARG  55  -9.993  -9.539 -10.650
  412   1HH2  ARG  55          1HH2      ARG  55  -9.276  -6.984  -8.423
  413   2HH2  ARG  55          2HH2      ARG  55 -10.203  -7.457  -9.807
  414    H    THR  56           H        THR  56  -4.215  -7.274  -5.436
  415    HA   THR  56           HA       THR  56  -2.741  -8.831  -7.394
  416    HB   THR  56           HB       THR  56  -3.385  -6.532  -7.877
  417    HG1  THR  56           HG1      THR  56  -1.678  -6.594  -9.059
  418   1HG2  THR  56          1HG2      THR  56  -1.304  -5.442  -6.043
  419   2HG2  THR  56          2HG2      THR  56  -2.848  -5.914  -5.339
  420   3HG2  THR  56          3HG2      THR  56  -2.801  -4.710  -6.615
  421    H    CYS  57           H        CYS  57  -1.615  -7.096  -4.418
  422    HA   CYS  57           HA       CYS  57   1.041  -8.334  -4.772
  423   1HB   CYS  57          HB2       CYS  57   0.497  -5.889  -3.957
  424   2HB   CYS  57          HB1       CYS  57   0.324  -6.670  -2.386
  425    H    ALA  58           H        ALA  58  -1.549  -8.341  -2.292
  426    HA   ALA  58           HA       ALA  58  -0.214 -10.260  -0.593
  427   1HB   ALA  58          HB1       ALA  58  -2.561  -8.705  -0.456
  428   2HB   ALA  58          HB2       ALA  58  -1.903  -9.744   0.804
  429   3HB   ALA  58          HB3       ALA  58  -3.097 -10.379  -0.328
  430    H    ALA  59           H        ALA  59   0.377 -12.140  -1.594
  431    HA   ALA  59           HA       ALA  59  -1.775 -13.725  -2.945
  432   1HB   ALA  59          HB1       ALA  59  -0.249 -14.498  -4.517
  433   2HB   ALA  59          HB2       ALA  59   1.132 -14.253  -3.449
  434   3HB   ALA  59          HB3       ALA  59   0.370 -12.871  -4.236
  435    H    LYS  60           H        LYS  60   0.735 -13.715  -0.502
  436    HA   LYS  60           HA       LYS  60   1.072 -16.492  -0.066
  437   1HB   LYS  60          HB2       LYS  60   1.615 -14.017   1.384
  438   2HB   LYS  60          HB1       LYS  60   1.166 -15.323   2.480
  439   1HG   LYS  60          HG2       LYS  60   3.415 -15.780   2.301
  440   2HG   LYS  60          HG1       LYS  60   2.845 -16.692   0.903
  441   1HD   LYS  60          HD2       LYS  60   3.744 -15.220  -0.597
  442   2HD   LYS  60          HD1       LYS  60   3.405 -13.819   0.419
  443   1HE   LYS  60          HE2       LYS  60   5.271 -15.067   1.945
  444   2HE   LYS  60          HE1       LYS  60   5.805 -15.562   0.339
  445   1HZ   LYS  60          HZ1       LYS  60   6.181 -13.401  -0.302
  446   2HZ   LYS  60          HZ2       LYS  60   6.632 -13.341   1.335
  447   3HZ   LYS  60          HZ3       LYS  60   5.117 -12.747   0.847
  448    H    TYR  61           H        TYR  61  -0.849 -17.649  -0.202
  449    HA   TYR  61           HA       TYR  61  -3.105 -16.948   1.594
  450   1HB   TYR  61          HB2       TYR  61  -2.888 -19.200  -0.430
  451   2HB   TYR  61          HB1       TYR  61  -4.359 -18.637   0.365
  452    HD1  TYR  61           HD1      TYR  61  -2.666 -18.506  -2.634
  453    HD2  TYR  61           HD2      TYR  61  -4.549 -15.883   0.200
  454    HE1  TYR  61           HE1      TYR  61  -2.977 -16.807  -4.414
  455    HE2  TYR  61           HE2      TYR  61  -4.864 -14.186  -1.581
  456    HH   TYR  61           HH       TYR  61  -3.239 -14.119  -4.354
  457    H    GLY  62           H        GLY  62  -3.920 -18.469   3.137
  458   1HA   GLY  62          HA2       GLY  62  -3.842 -20.500   4.435
  459   2HA   GLY  62          HA1       GLY  62  -2.246 -20.839   3.766
  460    H    ARG  63           H        ARG  63  -3.982 -18.699   6.004
  461    HA   ARG  63           HA       ARG  63  -1.753 -17.351   7.138
  462   1HB   ARG  63          HB2       ARG  63  -4.179 -16.786   7.522
  463   2HB   ARG  63          HB1       ARG  63  -4.274 -18.179   8.601
  464   1HG   ARG  63          HG2       ARG  63  -3.005 -17.179  10.235
  465   2HG   ARG  63          HG1       ARG  63  -2.045 -16.260   9.075
  466   1HD   ARG  63          HD2       ARG  63  -3.617 -14.559   8.909
  467   2HD   ARG  63          HD1       ARG  63  -4.957 -15.613   9.368
  468    HE   ARG  63           HE       ARG  63  -3.428 -15.530  11.657
  469   1HH1  ARG  63          1HH1      ARG  63  -5.842 -13.742  10.260
  470   2HH1  ARG  63          2HH1      ARG  63  -5.534 -12.278  11.135
  471   1HH2  ARG  63          1HH2      ARG  63  -2.548 -13.402  12.490
  472   2HH2  ARG  63          2HH2      ARG  63  -3.675 -12.090  12.403
  473    H    SER  64           H        SER  64  -0.505 -17.789   8.999
  474    HA   SER  64           HA       SER  64  -0.036 -20.646   9.527
  475   1HB   SER  64          HB2       SER  64   1.333 -18.211  10.704
  476   2HB   SER  64          HB1       SER  64   1.905 -19.875  10.790
  477    HG   SER  64           HG       SER  64   2.774 -19.554   8.915
  478    H    SER  65           H        SER  65  -1.299 -21.635  11.005
  479    HA   SER  65           HA       SER  65  -2.169 -20.103  13.425
  480   1HB   SER  65          HB2       SER  65  -3.975 -21.890  13.557
  481   2HB   SER  65          HB1       SER  65  -4.107 -20.791  12.188
  482    HG   SER  65           HG       SER  65  -4.290 -23.124  11.746
  Start of MODEL    8
    1   1H    LYS   1          HT1       LYS   1  -0.697 -15.580 -13.797
    2   2H    LYS   1          HT2       LYS   1   0.592 -15.898 -12.735
    3   3H    LYS   1          HT3       LYS   1  -0.105 -17.162 -13.633
    4    HA   LYS   1           HA       LYS   1   2.039 -16.449 -14.551
    5   1HB   LYS   1          HB2       LYS   1  -0.099 -17.245 -15.894
    6   2HB   LYS   1          HB1       LYS   1  -0.072 -15.589 -16.501
    7   1HG   LYS   1          HG2       LYS   1   2.542 -16.994 -16.485
    8   2HG   LYS   1          HG1       LYS   1   1.349 -17.610 -17.628
    9   1HD   LYS   1          HD2       LYS   1   1.611 -14.657 -17.512
   10   2HD   LYS   1          HD1       LYS   1   2.995 -15.523 -18.177
   11   1HE   LYS   1          HE2       LYS   1   1.842 -15.538 -20.126
   12   2HE   LYS   1          HE1       LYS   1   0.852 -16.794 -19.385
   13   1HZ   LYS   1          HZ1       LYS   1   0.318 -13.891 -19.548
   14   2HZ   LYS   1          HZ2       LYS   1  -0.480 -14.881 -18.419
   15   3HZ   LYS   1          HZ3       LYS   1  -0.651 -15.175 -20.084
   16    H    ASN   2           H        ASN   2   3.352 -14.765 -15.199
   17    HA   ASN   2           HA       ASN   2   4.139 -12.571 -15.400
   18   1HB   ASN   2          HB2       ASN   2   2.117 -12.659 -17.093
   19   2HB   ASN   2          HB1       ASN   2   1.342 -11.606 -15.909
   20   1HD2  ASN   2          1HD2      ASN   2   2.167  -9.439 -15.664
   21   2HD2  ASN   2          2HD2      ASN   2   3.347  -8.794 -16.699
   22    H    ARG   3           H        ARG   3   4.718 -12.112 -13.300
   23    HA   ARG   3           HA       ARG   3   2.756 -10.562 -11.671
   24   1HB   ARG   3          HB2       ARG   3   4.587 -12.772 -10.701
   25   2HB   ARG   3          HB1       ARG   3   3.738 -11.659  -9.630
   26   1HG   ARG   3          HG2       ARG   3   1.694 -12.501 -11.254
   27   2HG   ARG   3          HG1       ARG   3   2.693 -13.951 -11.173
   28   1HD   ARG   3          HD2       ARG   3   2.738 -13.591  -8.633
   29   2HD   ARG   3          HD1       ARG   3   1.439 -12.425  -8.886
   30    HE   ARG   3           HE       ARG   3   1.210 -15.310  -9.651
   31   1HH1  ARG   3          1HH2      ARG   3  -0.482 -12.502  -9.988
   32   2HH1  ARG   3          2HH2      ARG   3  -1.890 -13.002  -9.113
   33   1HH2  ARG   3          1HH1      ARG   3  -0.425 -15.892  -7.879
   34   2HH2  ARG   3          2HH1      ARG   3  -1.861 -14.925  -7.926
   35    HA   PRO   4           HA       PRO   4   6.575  -8.085 -11.935
   36   1HB   PRO   4          HB2       PRO   4   5.387  -5.674 -11.389
   37   2HB   PRO   4          HB1       PRO   4   5.390  -6.409 -13.000
   38   1HG   PRO   4          HG2       PRO   4   3.160  -6.202 -11.031
   39   2HG   PRO   4          HG1       PRO   4   3.091  -6.314 -12.799
   40   1HD   PRO   4          HD2       PRO   4   2.615  -8.434 -10.984
   41   2HD   PRO   4          HD1       PRO   4   2.876  -8.598 -12.733
   42    H    THR   5           H        THR   5   7.869  -7.048 -10.318
   43    HA   THR   5           HA       THR   5   6.995  -7.550  -7.527
   44    HB   THR   5           HB       THR   5   9.352  -7.239  -6.945
   45    HG1  THR   5           HG1      THR   5  10.815  -6.612  -8.506
   46   1HG2  THR   5          1HG2      THR   5   8.515  -9.405  -8.015
   47   2HG2  THR   5          2HG2      THR   5  10.256  -9.133  -8.079
   48   3HG2  THR   5          3HG2      THR   5   9.264  -8.840  -9.508
   49    H    PHE   6           H        PHE   6   6.408  -5.136  -9.518
   50    HA   PHE   6           HA       PHE   6   7.344  -2.707  -8.809
   51   1HB   PHE   6          HB2       PHE   6   5.191  -1.780  -9.380
   52   2HB   PHE   6          HB1       PHE   6   5.457  -3.200 -10.388
   53    HD1  PHE   6           HD1      PHE   6   3.061  -1.556  -8.531
   54    HD2  PHE   6           HD2      PHE   6   4.633  -5.515  -9.071
   55    HE1  PHE   6           HE1      PHE   6   0.954  -2.526  -7.653
   56    HE2  PHE   6           HE2      PHE   6   2.551  -6.479  -8.194
   57    HZ   PHE   6           HZ       PHE   6   0.696  -4.991  -7.487
   58    H    CYS   7           H        CYS   7   5.381  -4.722  -6.664
   59    HA   CYS   7           HA       CYS   7   4.443  -2.931  -4.731
   60   1HB   CYS   7          HB2       CYS   7   5.727  -5.649  -4.305
   61   2HB   CYS   7          HB1       CYS   7   4.815  -4.782  -3.070
   62    H    ASN   8           H        ASN   8   7.762  -3.881  -5.340
   63    HA   ASN   8           HA       ASN   8   8.765  -2.453  -2.943
   64   1HB   ASN   8          HB2       ASN   8  10.031  -4.148  -5.096
   65   2HB   ASN   8          HB1       ASN   8  11.027  -3.122  -4.064
   66   1HD2  ASN   8          1HD2      ASN   8   8.517  -5.695  -3.854
   67   2HD2  ASN   8          2HD2      ASN   8   9.077  -6.331  -2.384
   68    H    LEU   9           H        LEU   9   8.547  -2.195  -6.432
   69    HA   LEU   9           HA       LEU   9  10.198   0.075  -6.922
   70   1HB   LEU   9          HB2       LEU   9   9.275  -1.388  -8.689
   71   2HB   LEU   9          HB1       LEU   9   7.648  -0.851  -8.284
   72    HG   LEU   9           HG       LEU   9   8.759   1.553  -8.743
   73   1HD1  LEU   9          1HD1      LEU   9  10.290   1.368 -10.680
   74   2HD1  LEU   9          2HD1      LEU   9  10.280  -0.387 -10.510
   75   3HD1  LEU   9          3HD1      LEU   9  10.980   0.618  -9.241
   76   1HD2  LEU   9          1HD2      LEU   9   7.810   1.383 -11.019
   77   2HD2  LEU   9          2HD2      LEU   9   6.758   0.593  -9.843
   78   3HD2  LEU   9          3HD2      LEU   9   7.800  -0.377 -10.884
   79    H    LEU  10           H        LEU  10   9.710   2.293  -6.920
   80    HA   LEU  10           HA       LEU  10   7.323   3.089  -5.332
   81   1HB   LEU  10          HB2       LEU  10  10.006   4.342  -5.866
   82   2HB   LEU  10          HB1       LEU  10   8.650   5.357  -5.375
   83    HG   LEU  10           HG       LEU  10   8.371   3.419  -3.547
   84   1HD1  LEU  10          1HD1      LEU  10  11.332   3.472  -4.206
   85   2HD1  LEU  10          2HD1      LEU  10  10.251   2.086  -4.365
   86   3HD1  LEU  10          3HD1      LEU  10  10.633   2.728  -2.768
   87   1HD2  LEU  10          1HD2      LEU  10  10.221   5.813  -3.527
   88   2HD2  LEU  10          2HD2      LEU  10   9.911   4.860  -2.075
   89   3HD2  LEU  10          3HD2      LEU  10   8.583   5.696  -2.880
   90    HA   PRO  11           HA       PRO  11   5.652   4.646  -9.180
   91   1HB   PRO  11          HB2       PRO  11   3.469   5.949  -8.148
   92   2HB   PRO  11          HB1       PRO  11   3.553   4.190  -8.349
   93   1HG   PRO  11          HG2       PRO  11   3.741   5.802  -5.853
   94   2HG   PRO  11          HG1       PRO  11   3.217   4.124  -6.067
   95   1HD   PRO  11          HD2       PRO  11   5.750   4.975  -5.116
   96   2HD   PRO  11          HD1       PRO  11   5.314   3.327  -5.612
   97    H    GLU  12           H        GLU  12   4.474   6.955  -9.742
   98    HA   GLU  12           HA       GLU  12   6.265   9.130  -8.724
   99   1HB   GLU  12          HB2       GLU  12   5.454   8.377 -11.516
  100   2HB   GLU  12          HB1       GLU  12   5.743  10.076 -11.143
  101   1HG   GLU  12          HG2       GLU  12   7.917   8.888  -9.961
  102   2HG   GLU  12          HG1       GLU  12   7.664   7.842 -11.358
  103    H    THR  13           H        THR  13   5.214  11.001  -8.110
  104    HA   THR  13           HA       THR  13   2.263  10.942  -8.073
  105    HB   THR  13           HB       THR  13   2.752  13.189  -6.767
  106    HG1  THR  13           HG1      THR  13   4.776  13.543  -6.460
  107   1HG2  THR  13          1HG2      THR  13   3.354  11.632  -4.735
  108   2HG2  THR  13          2HG2      THR  13   3.073  10.339  -5.900
  109   3HG2  THR  13          3HG2      THR  13   1.784  11.482  -5.523
  110    H    GLY  14           H        GLY  14   4.739  13.387  -8.942
  111   1HA   GLY  14          HA2       GLY  14   4.711  14.591 -11.065
  112   2HA   GLY  14          HA1       GLY  14   2.979  14.263 -11.183
  113    H    ARG  15           H        ARG  15   2.268  14.970  -8.536
  114    HA   ARG  15           HA       ARG  15   1.653  16.809  -7.229
  115   1HB   ARG  15          HB2       ARG  15   4.410  17.146  -7.786
  116   2HB   ARG  15          HB1       ARG  15   3.670  18.724  -8.050
  117   1HG   ARG  15          HG2       ARG  15   2.432  17.934  -5.733
  118   2HG   ARG  15          HG1       ARG  15   4.026  17.206  -5.537
  119   1HD   ARG  15          HD2       ARG  15   4.131  19.428  -4.604
  120   2HD   ARG  15          HD1       ARG  15   5.023  19.455  -6.125
  121    HE   ARG  15           HE       ARG  15   3.210  20.709  -7.120
  122   1HH1  ARG  15          1HH1      ARG  15   1.070  19.360  -5.351
  123   2HH1  ARG  15          2HH1      ARG  15   0.532  20.718  -4.421
  124   1HH2  ARG  15          1HH2      ARG  15   3.264  22.692  -5.234
  125   2HH2  ARG  15          2HH2      ARG  15   1.776  22.603  -4.351
  126    H    CYS  16           H        CYS  16   0.706  16.499 -10.004
  127    HA   CYS  16           HA       CYS  16   0.433  19.254 -11.034
  128   1HB   CYS  16          HB2       CYS  16  -0.838  16.678 -12.020
  129   2HB   CYS  16          HB1       CYS  16  -0.785  18.215 -12.883
  130    H    ASN  17           H        ASN  17  -1.428  16.826  -9.319
  131    HA   ASN  17           HA       ASN  17  -3.508  18.865  -8.708
  132   1HB   ASN  17          HB2       ASN  17  -4.219  15.980  -9.305
  133   2HB   ASN  17          HB1       ASN  17  -5.313  17.347  -9.122
  134   1HD2  ASN  17          1HD2      ASN  17  -5.342  18.975 -10.890
  135   2HD2  ASN  17          2HD2      ASN  17  -4.801  18.553 -12.444
  136    H    ALA  18           H        ALA  18  -5.010  16.741  -7.133
  137    HA   ALA  18           HA       ALA  18  -3.129  15.617  -5.227
  138   1HB   ALA  18          HB1       ALA  18  -3.280  17.103  -3.450
  139   2HB   ALA  18          HB2       ALA  18  -4.798  17.794  -4.024
  140   3HB   ALA  18          HB3       ALA  18  -3.282  18.215  -4.820
  141    H    LEU  19           H        LEU  19  -4.317  14.873  -3.190
  142    HA   LEU  19           HA       LEU  19  -5.948  13.499  -2.253
  143   1HB   LEU  19          HB2       LEU  19  -7.339  15.836  -3.366
  144   2HB   LEU  19          HB1       LEU  19  -8.381  14.427  -3.196
  145    HG   LEU  19           HG       LEU  19  -8.417  15.797  -1.147
  146   1HD1  LEU  19          1HD1      LEU  19  -8.381  13.165  -1.200
  147   2HD1  LEU  19          2HD1      LEU  19  -8.266  14.011   0.343
  148   3HD1  LEU  19          3HD1      LEU  19  -6.812  13.366  -0.419
  149   1HD2  LEU  19          1HD2      LEU  19  -5.432  15.260  -1.174
  150   2HD2  LEU  19          2HD2      LEU  19  -6.301  15.865   0.238
  151   3HD2  LEU  19          3HD2      LEU  19  -6.232  16.830  -1.237
  152    H    ILE  20           H        ILE  20  -5.614  11.501  -3.223
  153    HA   ILE  20           HA       ILE  20  -7.595  10.632  -5.175
  154    HB   ILE  20           HB       ILE  20  -4.626  10.513  -5.847
  155   1HG1  ILE  20          2HG1      ILE  20  -5.663  12.721  -6.371
  156   2HG1  ILE  20          1HG1      ILE  20  -5.176  11.856  -7.816
  157   1HG2  ILE  20          1HG2      ILE  20  -6.991   9.430  -7.405
  158   2HG2  ILE  20          2HG2      ILE  20  -5.881   8.452  -6.445
  159   3HG2  ILE  20          3HG2      ILE  20  -5.292   9.316  -7.864
  160   1HD1  ILE  20          1HD1      ILE  20  -7.983  11.475  -6.845
  161   2HD1  ILE  20          2HD1      ILE  20  -7.352  11.448  -8.486
  162   3HD1  ILE  20          3HD1      ILE  20  -7.577  12.985  -7.653
  163    HA   PRO  21           HA       PRO  21  -6.698   7.389  -2.214
  164   1HB   PRO  21          HB2       PRO  21  -8.593   5.584  -3.083
  165   2HB   PRO  21          HB1       PRO  21  -8.952   6.963  -2.028
  166   1HG   PRO  21          HG2       PRO  21  -9.497   6.637  -4.950
  167   2HG   PRO  21          HG1       PRO  21 -10.392   7.570  -3.736
  168   1HD   PRO  21          HD2       PRO  21  -8.610   8.662  -5.604
  169   2HD   PRO  21          HD1       PRO  21  -9.138   9.464  -4.108
  170    H    ALA  22           H        ALA  22  -4.653   7.383  -3.728
  171    HA   ALA  22           HA       ALA  22  -4.621   5.006  -5.498
  172   1HB   ALA  22          HB1       ALA  22  -3.582   7.222  -6.210
  173   2HB   ALA  22          HB2       ALA  22  -2.566   5.789  -6.359
  174   3HB   ALA  22          HB3       ALA  22  -2.334   6.896  -5.006
  175    H    PHE  23           H        PHE  23  -4.353   3.227  -4.434
  176    HA   PHE  23           HA       PHE  23  -2.518   3.124  -2.084
  177   1HB   PHE  23          HB2       PHE  23  -4.874   1.463  -2.958
  178   2HB   PHE  23          HB1       PHE  23  -3.796   0.958  -1.681
  179    HD1  PHE  23           HD1      PHE  23  -5.297   4.371  -2.489
  180    HD2  PHE  23           HD2      PHE  23  -4.892   1.111   0.326
  181    HE1  PHE  23           HE1      PHE  23  -6.644   5.619  -0.867
  182    HE2  PHE  23           HE2      PHE  23  -6.265   2.391   1.957
  183    HZ   PHE  23           HZ       PHE  23  -7.142   4.635   1.364
  184    H    TYR  24           H        TYR  24  -0.932   1.519  -1.975
  185    HA   TYR  24           HA       TYR  24  -0.826  -0.561  -4.027
  186   1HB   TYR  24          HB2       TYR  24   1.446  -0.105  -4.776
  187   2HB   TYR  24          HB1       TYR  24   0.380   1.242  -5.159
  188    HD1  TYR  24           HD1      TYR  24   0.879   3.381  -4.467
  189    HD2  TYR  24           HD2      TYR  24   2.797   0.035  -2.580
  190    HE1  TYR  24           HE1      TYR  24   2.401   4.934  -3.234
  191    HE2  TYR  24           HE2      TYR  24   4.310   1.558  -1.361
  192    HH   TYR  24           HH       TYR  24   3.815   5.009  -1.325
  193    H    TYR  25           H        TYR  25   1.383  -1.887  -3.562
  194    HA   TYR  25           HA       TYR  25   1.096  -2.606  -0.716
  195   1HB   TYR  25          HB2       TYR  25   1.102  -4.301  -2.588
  196   2HB   TYR  25          HB1       TYR  25   2.828  -3.984  -2.763
  197    HD1  TYR  25           HD1      TYR  25   0.255  -5.618  -0.787
  198    HD2  TYR  25           HD2      TYR  25   4.362  -4.368  -0.801
  199    HE1  TYR  25           HE1      TYR  25   0.715  -7.122   1.123
  200    HE2  TYR  25           HE2      TYR  25   4.825  -5.875   1.114
  201    HH   TYR  25           HH       TYR  25   2.940  -8.340   2.012
  202    H    ASN  26           H        ASN  26   2.509  -2.277   0.803
  203    HA   ASN  26           HA       ASN  26   5.170  -1.093   0.131
  204   1HB   ASN  26          HB2       ASN  26   3.317   0.206   1.497
  205   2HB   ASN  26          HB1       ASN  26   3.869  -0.817   2.825
  206   1HD2  ASN  26          1HD2      ASN  26   4.339   2.209   1.723
  207   2HD2  ASN  26          2HD2      ASN  26   5.986   2.426   2.072
  208    H    SER  27           H        SER  27   6.947  -2.161   0.886
  209    HA   SER  27           HA       SER  27   6.550  -4.724   2.308
  210   1HB   SER  27          HB2       SER  27   8.372  -3.763   0.351
  211   2HB   SER  27          HB1       SER  27   9.322  -4.123   1.789
  212    HG   SER  27           HG       SER  27   7.857  -5.796   0.127
  213    H    HIS  28           H        HIS  28   6.492  -1.829   3.548
  214    HA   HIS  28           HA       HIS  28   8.664  -2.095   5.543
  215   1HB   HIS  28          HB2       HIS  28   6.662   0.080   4.891
  216   2HB   HIS  28          HB1       HIS  28   7.638   0.127   6.359
  217    HD1  HIS  28           HD1      HIS  28   8.666  -0.945   2.845
  218    HD2  HIS  28           HD2      HIS  28   9.640   1.930   5.703
  219    HE1  HIS  28           HE1      HIS  28  10.671   0.307   1.944
  220    H    LEU  29           H        LEU  29   5.160  -2.267   5.222
  221    HA   LEU  29           HA       LEU  29   4.993  -3.248   8.041
  222   1HB   LEU  29          HB2       LEU  29   2.622  -2.449   8.006
  223   2HB   LEU  29          HB1       LEU  29   3.789  -1.139   7.820
  224    HG   LEU  29           HG       LEU  29   2.923  -2.401   5.286
  225   1HD1  LEU  29          1HD1      LEU  29   0.713  -1.685   5.259
  226   2HD1  LEU  29          2HD1      LEU  29   0.986  -0.470   6.509
  227   3HD1  LEU  29          3HD1      LEU  29   0.867  -2.174   6.947
  228   1HD2  LEU  29          1HD2      LEU  29   3.346   0.400   6.350
  229   2HD2  LEU  29          2HD2      LEU  29   2.685   0.099   4.743
  230   3HD2  LEU  29          3HD2      LEU  29   4.308  -0.462   5.149
  231    H    HIS  30           H        HIS  30   5.091  -4.412   5.010
  232    HA   HIS  30           HA       HIS  30   4.313  -6.354   3.963
  233   1HB   HIS  30          HB2       HIS  30   4.437  -6.851   6.840
  234   2HB   HIS  30          HB1       HIS  30   3.184  -7.831   6.082
  235    HD1  HIS  30           HD1      HIS  30   4.070 -10.020   5.270
  236    HD2  HIS  30           HD2      HIS  30   6.952  -7.016   5.077
  237    HE1  HIS  30           HE1      HIS  30   6.172 -11.110   4.365
  238    H    LYS  31           H        LYS  31   2.583  -4.176   3.842
  239    HA   LYS  31           HA       LYS  31  -0.025  -5.492   3.496
  240   1HB   LYS  31          HB2       LYS  31   0.586  -3.859   5.846
  241   2HB   LYS  31          HB1       LYS  31  -0.792  -3.235   4.946
  242   1HG   LYS  31          HG2       LYS  31  -2.115  -4.906   5.688
  243   2HG   LYS  31          HG1       LYS  31  -0.960  -6.127   5.155
  244   1HD   LYS  31          HD2       LYS  31  -1.026  -6.469   7.477
  245   2HD   LYS  31          HD1       LYS  31   0.383  -5.424   7.289
  246   1HE   LYS  31          HE2       LYS  31  -0.815  -4.388   9.028
  247   2HE   LYS  31          HE1       LYS  31  -1.304  -3.471   7.602
  248   1HZ   LYS  31          HZ1       LYS  31  -3.307  -4.710   7.451
  249   2HZ   LYS  31          HZ2       LYS  31  -3.168  -4.184   9.060
  250   3HZ   LYS  31          HZ3       LYS  31  -2.814  -5.796   8.657
  251    H    CYS  32           H        CYS  32  -1.592  -3.264   3.173
  252    HA   CYS  32           HA       CYS  32  -0.400  -2.040   0.749
  253   1HB   CYS  32          HB2       CYS  32  -2.785  -3.042   0.883
  254   2HB   CYS  32          HB1       CYS  32  -3.195  -1.577   1.766
  255    H    GLN  33           H        GLN  33  -0.532   0.245   0.399
  256    HA   GLN  33           HA       GLN  33  -0.913   1.951   2.802
  257   1HB   GLN  33          HB2       GLN  33   1.525   1.513   2.649
  258   2HB   GLN  33          HB1       GLN  33   1.518   2.083   0.979
  259   1HG   GLN  33          HG2       GLN  33   1.381   4.279   1.590
  260   2HG   GLN  33          HG1       GLN  33   0.299   3.939   2.939
  261   1HE2  GLN  33          1HE2      GLN  33   3.696   4.226   2.002
  262   2HE2  GLN  33          2HE2      GLN  33   4.323   4.119   3.575
  263    H    LYS  34           H        LYS  34  -1.659   4.012   2.273
  264    HA   LYS  34           HA       LYS  34  -2.606   4.299  -0.528
  265   1HB   LYS  34          HB2       LYS  34  -4.202   5.919   0.396
  266   2HB   LYS  34          HB1       LYS  34  -4.249   4.436   1.338
  267   1HG   LYS  34          HG2       LYS  34  -2.942   5.400   3.107
  268   2HG   LYS  34          HG1       LYS  34  -2.604   6.838   2.145
  269   1HD   LYS  34          HD2       LYS  34  -5.454   6.075   2.719
  270   2HD   LYS  34          HD1       LYS  34  -4.513   6.920   3.947
  271   1HE   LYS  34          HE2       LYS  34  -3.935   8.387   1.692
  272   2HE   LYS  34          HE1       LYS  34  -5.613   7.927   1.406
  273   1HZ   LYS  34          HZ1       LYS  34  -5.969   9.746   2.674
  274   2HZ   LYS  34          HZ2       LYS  34  -4.478   9.633   3.478
  275   3HZ   LYS  34          HZ3       LYS  34  -5.774   8.639   3.944
  276    H    PHE  35           H        PHE  35  -2.055   6.131  -1.749
  277    HA   PHE  35           HA       PHE  35  -0.229   8.086  -0.467
  278   1HB   PHE  35          HB2       PHE  35   1.426   7.920  -2.133
  279   2HB   PHE  35          HB1       PHE  35   1.001   6.251  -1.788
  280    HD1  PHE  35           HD1      PHE  35  -0.012   4.842  -3.451
  281    HD2  PHE  35           HD2      PHE  35   0.595   9.032  -4.198
  282    HE1  PHE  35           HE1      PHE  35  -0.465   4.484  -5.858
  283    HE2  PHE  35           HE2      PHE  35   0.134   8.669  -6.607
  284    HZ   PHE  35           HZ       PHE  35  -0.394   6.394  -7.438
  285    H    ASN  36           H        ASN  36  -0.115  10.136  -1.614
  286    HA   ASN  36           HA       ASN  36  -2.747  10.850  -2.749
  287   1HB   ASN  36          HB2       ASN  36  -1.728  12.130  -0.858
  288   2HB   ASN  36          HB1       ASN  36  -0.445  12.625  -1.955
  289   1HD2  ASN  36          1HD2      ASN  36  -0.852  14.414  -3.301
  290   2HD2  ASN  36          2HD2      ASN  36  -2.367  15.164  -3.447
  291    H    TYR  37           H        TYR  37  -2.844  10.514  -4.909
  292    HA   TYR  37           HA       TYR  37  -0.517  11.152  -6.634
  293   1HB   TYR  37          HB2       TYR  37  -1.791   9.023  -6.993
  294   2HB   TYR  37          HB1       TYR  37  -3.218   9.981  -7.382
  295    HD1  TYR  37           HD1      TYR  37  -3.637  10.013  -9.665
  296    HD2  TYR  37           HD2      TYR  37   0.424  10.229  -8.288
  297    HE1  TYR  37           HE1      TYR  37  -2.858  10.283 -12.005
  298    HE2  TYR  37           HE2      TYR  37   1.206  10.503 -10.628
  299    HH   TYR  37           HH       TYR  37  -0.876   9.994 -13.329
  300    H    GLY  38           H        GLY  38  -0.798  12.578  -8.479
  301   1HA   GLY  38          HA2       GLY  38  -2.722  14.785  -7.944
  302   2HA   GLY  38          HA1       GLY  38  -1.247  14.922  -8.904
  303    H    GLY  39           H        GLY  39  -1.242  14.142 -11.059
  304   1HA   GLY  39          HA2       GLY  39  -3.126  12.637 -12.433
  305   2HA   GLY  39          HA1       GLY  39  -3.801  14.267 -12.433
  306    H    CYS  40           H        CYS  40  -0.720  12.586 -13.094
  307    HA   CYS  40           HA       CYS  40  -0.415  14.184 -15.577
  308   1HB   CYS  40          HB2       CYS  40   1.317  14.322 -13.178
  309   2HB   CYS  40          HB1       CYS  40   2.167  14.154 -14.714
  310    H    GLY  41           H        GLY  41   1.809  12.047 -13.800
  311   1HA   GLY  41          HA2       GLY  41   1.881  10.243 -16.177
  312   2HA   GLY  41          HA1       GLY  41   3.158  10.369 -14.965
  313    H    GLY  42           H        GLY  42   3.066   9.056 -13.170
  314   1HA   GLY  42          HA2       GLY  42   1.950   7.713 -11.497
  315   2HA   GLY  42          HA1       GLY  42   0.556   7.587 -12.569
  316    H    ASN  43           H        ASN  43   3.248   5.966 -11.409
  317    HA   ASN  43           HA       ASN  43   3.770   4.274 -13.745
  318   1HB   ASN  43          HB2       ASN  43   4.771   4.449 -10.932
  319   2HB   ASN  43          HB1       ASN  43   4.979   2.924 -11.790
  320   1HD2  ASN  43          1HD2      ASN  43   6.910   5.267 -11.017
  321   2HD2  ASN  43          2HD2      ASN  43   7.746   5.567 -12.464
  322    H    ALA  44           H        ALA  44   3.835   1.734 -12.889
  323    HA   ALA  44           HA       ALA  44   1.087   0.900 -12.872
  324   1HB   ALA  44          HB1       ALA  44   2.326  -1.354 -12.150
  325   2HB   ALA  44          HB2       ALA  44   3.745  -0.441 -12.661
  326   3HB   ALA  44          HB3       ALA  44   2.428  -0.732 -13.797
  327    H    ASN  45           H        ASN  45   3.386   1.568 -10.323
  328    HA   ASN  45           HA       ASN  45   2.031   0.121  -8.217
  329   1HB   ASN  45          HB2       ASN  45   4.250   2.092  -8.422
  330   2HB   ASN  45          HB1       ASN  45   3.403   2.039  -6.876
  331   1HD2  ASN  45          1HD2      ASN  45   3.046  -0.365  -6.054
  332   2HD2  ASN  45          2HD2      ASN  45   4.368  -1.409  -6.246
  333    H    ASN  46           H        ASN  46  -0.209   0.765  -8.479
  334    HA   ASN  46           HA       ASN  46  -1.084   2.870  -6.796
  335   1HB   ASN  46          HB2       ASN  46  -2.006   4.453  -8.495
  336   2HB   ASN  46          HB1       ASN  46  -0.245   4.418  -8.474
  337   1HD2  ASN  46          1HD2      ASN  46  -2.415   4.880 -10.706
  338   2HD2  ASN  46          2HD2      ASN  46  -1.865   3.896 -11.975
  339    H    PHE  47           H        PHE  47  -2.890   2.002  -6.086
  340    HA   PHE  47           HA       PHE  47  -4.764   0.680  -8.031
  341   1HB   PHE  47          HB2       PHE  47  -4.524   0.208  -5.044
  342   2HB   PHE  47          HB1       PHE  47  -5.562  -0.676  -6.159
  343    HD1  PHE  47           HD1      PHE  47  -4.010  -1.311  -8.435
  344    HD2  PHE  47           HD2      PHE  47  -2.750  -1.078  -4.338
  345    HE1  PHE  47           HE1      PHE  47  -2.168  -2.897  -8.919
  346    HE2  PHE  47           HE2      PHE  47  -0.905  -2.674  -4.820
  347    HZ   PHE  47           HZ       PHE  47  -0.618  -3.578  -7.110
  348    H    LYS  48           H        LYS  48  -7.002   0.608  -6.309
  349    HA   LYS  48           HA       LYS  48  -7.666   3.510  -6.099
  350   1HB   LYS  48          HB2       LYS  48  -8.985   2.071  -7.715
  351   2HB   LYS  48          HB1       LYS  48  -9.598   1.189  -6.317
  352   1HG   LYS  48          HG2       LYS  48  -9.952   3.902  -5.663
  353   2HG   LYS  48          HG1       LYS  48 -10.418   3.782  -7.359
  354   1HD   LYS  48          HD2       LYS  48 -11.414   1.791  -5.324
  355   2HD   LYS  48          HD1       LYS  48 -12.243   3.327  -5.578
  356   1HE   LYS  48          HE2       LYS  48 -12.725   2.811  -7.849
  357   2HE   LYS  48          HE1       LYS  48 -11.571   1.479  -7.871
  358   1HZ   LYS  48          HZ1       LYS  48 -13.546   0.378  -7.605
  359   2HZ   LYS  48          HZ2       LYS  48 -14.243   1.604  -6.658
  360   3HZ   LYS  48          HZ3       LYS  48 -13.078   0.566  -5.986
  361    H    THR  49           H        THR  49  -7.615   0.432  -4.394
  362    HA   THR  49           HA       THR  49  -7.866   1.791  -1.830
  363    HB   THR  49           HB       THR  49  -9.744   0.057  -1.212
  364    HG1  THR  49           HG1      THR  49 -10.170  -1.024  -2.989
  365   1HG2  THR  49          1HG2      THR  49 -11.189   1.833  -1.214
  366   2HG2  THR  49          2HG2      THR  49 -10.821   2.266  -2.885
  367   3HG2  THR  49          3HG2      THR  49  -9.710   2.717  -1.590
  368    H    ILE  50           H        ILE  50  -8.104  -0.141  -0.124
  369    HA   ILE  50           HA       ILE  50  -5.692  -1.707  -0.366
  370    HB   ILE  50           HB       ILE  50  -6.377  -2.596   1.859
  371   1HG1  ILE  50          2HG1      ILE  50  -8.726  -0.713   1.691
  372   2HG1  ILE  50          1HG1      ILE  50  -8.884  -2.401   1.205
  373   1HG2  ILE  50          1HG2      ILE  50  -5.162  -0.421   1.579
  374   2HG2  ILE  50          2HG2      ILE  50  -6.174  -0.469   3.023
  375   3HG2  ILE  50          3HG2      ILE  50  -6.721   0.404   1.592
  376   1HD1  ILE  50          1HD1      ILE  50  -7.741  -1.590   3.885
  377   2HD1  ILE  50          2HD1      ILE  50  -8.304  -3.184   3.387
  378   3HD1  ILE  50          3HD1      ILE  50  -9.463  -1.879   3.644
  379    H    ASP  51           H        ASP  51  -9.021  -2.322  -1.160
  380    HA   ASP  51           HA       ASP  51  -9.069  -5.173  -0.841
  381   1HB   ASP  51          HB2       ASP  51 -10.672  -3.155  -2.346
  382   2HB   ASP  51          HB1       ASP  51 -10.820  -4.842  -2.840
  383    H    GLU  52           H        GLU  52  -9.023  -3.459  -3.974
  384    HA   GLU  52           HA       GLU  52  -8.028  -5.638  -5.502
  385   1HB   GLU  52          HB2       GLU  52  -7.727  -2.654  -5.964
  386   2HB   GLU  52          HB1       GLU  52  -7.381  -3.892  -7.171
  387   1HG   GLU  52          HG2       GLU  52  -9.620  -4.475  -7.415
  388   2HG   GLU  52          HG1       GLU  52 -10.052  -3.901  -5.805
  389    H    CYS  53           H        CYS  53  -6.401  -3.186  -3.607
  390    HA   CYS  53           HA       CYS  53  -3.715  -3.597  -4.505
  391   1HB   CYS  53          HB2       CYS  53  -4.310  -1.630  -3.233
  392   2HB   CYS  53          HB1       CYS  53  -4.893  -2.615  -1.898
  393    H    GLN  54           H        GLN  54  -5.664  -5.121  -1.953
  394    HA   GLN  54           HA       GLN  54  -3.559  -6.712  -0.806
  395   1HB   GLN  54          HB2       GLN  54  -5.929  -6.171   0.120
  396   2HB   GLN  54          HB1       GLN  54  -6.450  -7.558  -0.837
  397   1HG   GLN  54          HG2       GLN  54  -4.025  -8.047   0.775
  398   2HG   GLN  54          HG1       GLN  54  -5.471  -7.713   1.727
  399   1HE2  GLN  54          1HE2      GLN  54  -3.899 -10.329   1.035
  400   2HE2  GLN  54          2HE2      GLN  54  -5.126 -11.398   0.549
  401    H    ARG  55           H        ARG  55  -6.006  -7.427  -3.296
  402    HA   ARG  55           HA       ARG  55  -5.352 -10.170  -3.687
  403   1HB   ARG  55          HB2       ARG  55  -7.316  -8.656  -4.615
  404   2HB   ARG  55          HB1       ARG  55  -6.234  -8.484  -5.997
  405   1HG   ARG  55          HG2       ARG  55  -6.194 -11.234  -5.346
  406   2HG   ARG  55          HG1       ARG  55  -7.885 -10.747  -5.241
  407   1HD   ARG  55          HD2       ARG  55  -6.079 -10.162  -7.606
  408   2HD   ARG  55          HD1       ARG  55  -7.235 -11.493  -7.535
  409    HE   ARG  55           HE       ARG  55  -7.950  -8.604  -7.635
  410   1HH1  ARG  55          1HH1      ARG  55  -8.489 -11.502  -9.108
  411   2HH1  ARG  55          2HH1      ARG  55 -10.218 -11.461  -9.024
  412   1HH2  ARG  55          1HH2      ARG  55 -10.314  -8.717  -6.905
  413   2HH2  ARG  55          2HH2      ARG  55 -11.252  -9.873  -7.790
  414    H    THR  56           H        THR  56  -4.399  -7.411  -5.769
  415    HA   THR  56           HA       THR  56  -2.675  -8.788  -7.479
  416    HB   THR  56           HB       THR  56  -3.284  -6.536  -8.001
  417    HG1  THR  56           HG1      THR  56  -1.402  -6.665  -8.932
  418   1HG2  THR  56          1HG2      THR  56  -3.136  -4.745  -6.603
  419   2HG2  THR  56          2HG2      THR  56  -1.584  -5.258  -5.943
  420   3HG2  THR  56          3HG2      THR  56  -3.075  -5.986  -5.353
  421    H    CYS  57           H        CYS  57  -1.582  -7.021  -4.515
  422    HA   CYS  57           HA       CYS  57   1.001  -8.473  -4.718
  423   1HB   CYS  57          HB2       CYS  57   0.626  -5.890  -4.230
  424   2HB   CYS  57          HB1       CYS  57   0.451  -6.467  -2.575
  425    H    ALA  58           H        ALA  58  -1.283  -7.646  -2.074
  426    HA   ALA  58           HA       ALA  58  -1.909  -8.856  -0.160
  427   1HB   ALA  58          HB1       ALA  58  -1.349 -11.519  -0.680
  428   2HB   ALA  58          HB2       ALA  58  -1.576 -10.849  -2.294
  429   3HB   ALA  58          HB3       ALA  58  -2.853 -10.697  -1.089
  430    H    ALA  59           H        ALA  59  -0.859 -10.972   1.169
  431    HA   ALA  59           HA       ALA  59   1.808  -9.989   1.952
  432   1HB   ALA  59          HB1       ALA  59   0.795 -10.508   3.927
  433   2HB   ALA  59          HB2       ALA  59   1.315 -12.152   3.560
  434   3HB   ALA  59          HB3       ALA  59  -0.325 -11.638   3.165
  435    H    LYS  60           H        LYS  60   0.310 -12.849   0.513
  436    HA   LYS  60           HA       LYS  60   1.233 -14.708  -0.584
  437   1HB   LYS  60          HB2       LYS  60   3.303 -12.564  -0.956
  438   2HB   LYS  60          HB1       LYS  60   3.671 -14.213  -1.461
  439   1HG   LYS  60          HG2       LYS  60   1.498 -14.195  -2.766
  440   2HG   LYS  60          HG1       LYS  60   1.388 -12.468  -2.419
  441   1HD   LYS  60          HD2       LYS  60   3.263 -11.951  -3.713
  442   2HD   LYS  60          HD1       LYS  60   3.917 -13.584  -3.594
  443   1HE   LYS  60          HE2       LYS  60   2.235 -14.444  -5.100
  444   2HE   LYS  60          HE1       LYS  60   1.370 -12.910  -5.090
  445   1HZ   LYS  60          HZ1       LYS  60   2.568 -12.452  -6.898
  446   2HZ   LYS  60          HZ2       LYS  60   3.676 -13.706  -6.611
  447   3HZ   LYS  60          HZ3       LYS  60   3.879 -12.201  -5.851
  448    H    TYR  61           H        TYR  61   3.436 -16.087  -0.559
  449    HA   TYR  61           HA       TYR  61   4.279 -16.311   2.306
  450   1HB   TYR  61          HB2       TYR  61   3.497 -18.338   0.263
  451   2HB   TYR  61          HB1       TYR  61   4.816 -18.769   1.352
  452    HD1  TYR  61           HD1      TYR  61   1.293 -18.686   0.973
  453    HD2  TYR  61           HD2      TYR  61   4.401 -18.203   3.897
  454    HE1  TYR  61           HE1      TYR  61  -0.343 -19.122   2.786
  455    HE2  TYR  61           HE2      TYR  61   2.768 -18.638   5.710
  456    HH   TYR  61           HH       TYR  61   0.500 -19.918   5.865
  457    H    GLY  62           H        GLY  62   5.460 -17.519  -0.851
  458   1HA   GLY  62          HA2       GLY  62   7.859 -15.930  -0.842
  459   2HA   GLY  62          HA1       GLY  62   8.203 -17.552  -0.240
  460    H    ARG  63           H        ARG  63   8.240 -15.736  -2.976
  461    HA   ARG  63           HA       ARG  63   7.158 -17.566  -4.948
  462   1HB   ARG  63          HB2       ARG  63   9.296 -15.464  -5.392
  463   2HB   ARG  63          HB1       ARG  63   8.184 -16.130  -6.586
  464   1HG   ARG  63          HG2       ARG  63   6.282 -15.168  -5.244
  465   2HG   ARG  63          HG1       ARG  63   7.480 -14.362  -4.229
  466   1HD   ARG  63          HD2       ARG  63   7.039 -13.965  -7.203
  467   2HD   ARG  63          HD1       ARG  63   6.788 -12.780  -5.921
  468    HE   ARG  63           HE       ARG  63   9.316 -12.909  -5.569
  469   1HH1  ARG  63          1HH2      ARG  63   9.572 -15.171  -7.634
  470   2HH1  ARG  63          2HH2      ARG  63  10.186 -14.298  -8.996
  471   1HH2  ARG  63          1HH1      ARG  63   9.367 -11.186  -7.710
  472   2HH2  ARG  63          2HH1      ARG  63  10.072 -12.044  -9.039
  473    H    SER  64           H        SER  64   9.200 -17.836  -6.810
  474    HA   SER  64           HA       SER  64  10.677 -20.107  -5.770
  475   1HB   SER  64          HB2       SER  64   9.943 -20.031  -8.112
  476   2HB   SER  64          HB1       SER  64  10.921 -18.594  -8.389
  477    HG   SER  64           HG       SER  64  12.636 -19.808  -8.524
  478    H    SER  65           H        SER  65  11.882 -17.105  -7.310
  479    HA   SER  65           HA       SER  65  13.735 -16.461  -5.204
  480   1HB   SER  65          HB2       SER  65  14.592 -18.526  -6.947
  481   2HB   SER  65          HB1       SER  65  15.499 -17.088  -7.406
  482    HG   SER  65           HG       SER  65  16.358 -18.435  -5.628
  Start of MODEL    9
    1   1H    LYS   1          HT1       LYS   1   4.593 -10.280 -18.015
    2   2H    LYS   1          HT2       LYS   1   5.477 -10.829 -19.358
    3   3H    LYS   1          HT3       LYS   1   6.089 -11.045 -17.787
    4    HA   LYS   1           HA       LYS   1   3.560 -12.271 -18.732
    5   1HB   LYS   1          HB2       LYS   1   6.415 -13.182 -18.909
    6   2HB   LYS   1          HB1       LYS   1   5.148 -14.377 -18.621
    7   1HG   LYS   1          HG2       LYS   1   4.605 -12.403 -20.773
    8   2HG   LYS   1          HG1       LYS   1   5.884 -13.573 -21.103
    9   1HD   LYS   1          HD2       LYS   1   4.280 -15.394 -20.394
   10   2HD   LYS   1          HD1       LYS   1   3.014 -14.168 -20.341
   11   1HE   LYS   1          HE2       LYS   1   2.696 -14.484 -22.546
   12   2HE   LYS   1          HE1       LYS   1   4.305 -13.824 -22.834
   13   1HZ   LYS   1          HZ1       LYS   1   3.500 -16.648 -22.517
   14   2HZ   LYS   1          HZ2       LYS   1   5.109 -16.163 -22.278
   15   3HZ   LYS   1          HZ3       LYS   1   4.364 -15.927 -23.786
   16    H    ASN   2           H        ASN   2   6.368 -12.717 -16.553
   17    HA   ASN   2           HA       ASN   2   4.800 -14.104 -14.538
   18   1HB   ASN   2          HB2       ASN   2   7.559 -12.848 -14.379
   19   2HB   ASN   2          HB1       ASN   2   6.864 -13.934 -13.175
   20   1HD2  ASN   2          1HD2      ASN   2   7.801 -15.966 -13.435
   21   2HD2  ASN   2          2HD2      ASN   2   8.075 -16.726 -14.927
   22    H    ARG   3           H        ARG   3   4.902 -13.200 -12.185
   23    HA   ARG   3           HA       ARG   3   3.489 -10.670 -12.148
   24   1HB   ARG   3          HB2       ARG   3   3.246 -12.711 -10.547
   25   2HB   ARG   3          HB1       ARG   3   4.620 -12.002  -9.698
   26   1HG   ARG   3          HG2       ARG   3   3.434 -10.059  -9.129
   27   2HG   ARG   3          HG1       ARG   3   2.237 -10.303 -10.401
   28   1HD   ARG   3          HD2       ARG   3   1.134 -12.008  -9.207
   29   2HD   ARG   3          HD1       ARG   3   2.519 -12.289  -8.153
   30    HE   ARG   3           HE       ARG   3   0.869  -9.797  -7.994
   31   1HH1  ARG   3          1HH1      ARG   3   3.519 -10.208  -6.486
   32   2HH1  ARG   3          2HH1      ARG   3   2.929 -10.655  -4.920
   33   1HH2  ARG   3          1HH2      ARG   3  -0.286 -11.329  -6.032
   34   2HH2  ARG   3          2HH2      ARG   3   0.777 -11.296  -4.663
   35    HA   PRO   4           HA       PRO   4   7.201  -8.201 -11.637
   36   1HB   PRO   4          HB2       PRO   4   5.973  -5.793 -11.184
   37   2HB   PRO   4          HB1       PRO   4   6.101  -6.523 -12.795
   38   1HG   PRO   4          HG2       PRO   4   3.726  -6.301 -11.011
   39   2HG   PRO   4          HG1       PRO   4   3.794  -6.439 -12.777
   40   1HD   PRO   4          HD2       PRO   4   3.189  -8.531 -10.955
   41   2HD   PRO   4          HD1       PRO   4   3.539  -8.714 -12.686
   42    H    THR   5           H        THR   5   8.290  -6.988  -9.917
   43    HA   THR   5           HA       THR   5   7.162  -7.525  -7.210
   44    HB   THR   5           HB       THR   5   9.526  -6.983  -6.459
   45    HG1  THR   5           HG1      THR   5  11.073  -7.016  -8.174
   46   1HG2  THR   5          1HG2      THR   5   9.344  -9.257  -6.512
   47   2HG2  THR   5          2HG2      THR   5  10.426  -9.096  -7.896
   48   3HG2  THR   5          3HG2      THR   5   8.689  -9.268  -8.150
   49    H    PHE   6           H        PHE   6   6.671  -5.191  -9.236
   50    HA   PHE   6           HA       PHE   6   7.580  -2.728  -8.569
   51   1HB   PHE   6          HB2       PHE   6   5.481  -1.838  -9.320
   52   2HB   PHE   6          HB1       PHE   6   5.755  -3.328 -10.210
   53    HD1  PHE   6           HD1      PHE   6   3.318  -1.522  -8.555
   54    HD2  PHE   6           HD2      PHE   6   4.853  -5.524  -8.792
   55    HE1  PHE   6           HE1      PHE   6   1.165  -2.407  -7.705
   56    HE2  PHE   6           HE2      PHE   6   2.725  -6.406  -7.943
   57    HZ   PHE   6           HZ       PHE   6   0.863  -4.851  -7.398
   58    H    CYS   7           H        CYS   7   5.499  -4.681  -6.480
   59    HA   CYS   7           HA       CYS   7   4.467  -2.843  -4.638
   60   1HB   CYS   7          HB2       CYS   7   5.754  -5.519  -4.002
   61   2HB   CYS   7          HB1       CYS   7   4.663  -4.635  -2.938
   62    H    ASN   8           H        ASN   8   7.809  -3.819  -5.039
   63    HA   ASN   8           HA       ASN   8   8.666  -2.297  -2.635
   64   1HB   ASN   8          HB2       ASN   8  10.406  -3.756  -4.647
   65   2HB   ASN   8          HB1       ASN   8  10.857  -3.234  -3.024
   66   1HD2  ASN   8          1HD2      ASN   8   9.560  -5.852  -4.831
   67   2HD2  ASN   8          2HD2      ASN   8   9.056  -6.809  -3.522
   68    H    LEU   9           H        LEU   9   8.647  -2.188  -6.131
   69    HA   LEU   9           HA       LEU   9  10.467  -0.065  -6.643
   70   1HB   LEU   9          HB2       LEU   9   9.499  -1.519  -8.388
   71   2HB   LEU   9          HB1       LEU   9   7.902  -0.854  -8.063
   72    HG   LEU   9           HG       LEU   9   9.421   1.419  -8.525
   73   1HD1  LEU   9          1HD1      LEU   9  10.615   0.955 -10.649
   74   2HD1  LEU   9          2HD1      LEU   9  10.276  -0.765 -10.449
   75   3HD1  LEU   9          3HD1      LEU   9  11.321   0.068  -9.297
   76   1HD2  LEU   9          1HD2      LEU   9   7.421  -0.217  -9.987
   77   2HD2  LEU   9          2HD2      LEU   9   8.326   0.931 -10.975
   78   3HD2  LEU   9          3HD2      LEU   9   7.397   1.503  -9.592
   79    H    LEU  10           H        LEU  10  10.164   2.187  -6.698
   80    HA   LEU  10           HA       LEU  10   7.914   3.224  -5.093
   81   1HB   LEU  10          HB2       LEU  10  10.597   3.928  -5.309
   82   2HB   LEU  10          HB1       LEU  10   9.775   5.209  -6.199
   83    HG   LEU  10           HG       LEU  10   8.202   5.424  -4.215
   84   1HD1  LEU  10          1HD1      LEU  10   8.930   4.473  -2.093
   85   2HD1  LEU  10          2HD1      LEU  10  10.354   3.772  -2.860
   86   3HD1  LEU  10          3HD1      LEU  10   8.747   3.173  -3.271
   87   1HD2  LEU  10          1HD2      LEU  10   9.839   6.710  -2.872
   88   2HD2  LEU  10          2HD2      LEU  10  10.057   7.005  -4.598
   89   3HD2  LEU  10          3HD2      LEU  10  11.159   5.927  -3.741
   90    HA   PRO  11           HA       PRO  11   5.815   4.330  -8.895
   91   1HB   PRO  11          HB2       PRO  11   3.711   5.683  -7.771
   92   2HB   PRO  11          HB1       PRO  11   3.827   3.918  -7.813
   93   1HG   PRO  11          HG2       PRO  11   4.222   5.769  -5.515
   94   2HG   PRO  11          HG1       PRO  11   3.719   4.069  -5.513
   95   1HD   PRO  11          HD2       PRO  11   6.312   5.040  -4.908
   96   2HD   PRO  11          HD1       PRO  11   5.872   3.346  -5.213
   97    H    GLU  12           H        GLU  12   4.566   6.491  -9.625
   98    HA   GLU  12           HA       GLU  12   6.210   8.881  -8.899
   99   1HB   GLU  12          HB2       GLU  12   5.648   7.675 -11.579
  100   2HB   GLU  12          HB1       GLU  12   5.657   9.436 -11.464
  101   1HG   GLU  12          HG2       GLU  12   7.905   9.531 -10.954
  102   2HG   GLU  12          HG1       GLU  12   7.899   7.957 -10.159
  103    H    THR  13           H        THR  13   4.995  10.780  -8.692
  104    HA   THR  13           HA       THR  13   2.095  10.440  -8.476
  105    HB   THR  13           HB       THR  13   2.353  13.014  -7.909
  106    HG1  THR  13           HG1      THR  13   4.440  13.390  -7.061
  107   1HG2  THR  13          1HG2      THR  13   2.026  12.252  -5.821
  108   2HG2  THR  13          2HG2      THR  13   3.643  11.553  -5.759
  109   3HG2  THR  13          3HG2      THR  13   2.309  10.627  -6.446
  110    H    GLY  14           H        GLY  14   3.972  13.062 -10.043
  111   1HA   GLY  14          HA2       GLY  14   3.689  13.944 -12.248
  112   2HA   GLY  14          HA1       GLY  14   2.363  12.801 -12.502
  113    H    ARG  15           H        ARG  15   3.207  15.986 -11.436
  114    HA   ARG  15           HA       ARG  15   0.987  16.796  -9.929
  115   1HB   ARG  15          HB2       ARG  15   2.816  18.235 -11.823
  116   2HB   ARG  15          HB1       ARG  15   1.425  19.084 -11.146
  117   1HG   ARG  15          HG2       ARG  15   2.425  17.884  -8.904
  118   2HG   ARG  15          HG1       ARG  15   3.909  18.172  -9.815
  119   1HD   ARG  15          HD2       ARG  15   2.789  20.563 -10.185
  120   2HD   ARG  15          HD1       ARG  15   1.962  20.141  -8.687
  121    HE   ARG  15           HE       ARG  15   4.903  19.837  -8.695
  122   1HH1  ARG  15          1HH2      ARG  15   3.342  20.016  -6.171
  123   2HH1  ARG  15          2HH2      ARG  15   3.575  21.666  -5.700
  124   1HH2  ARG  15          1HH1      ARG  15   4.666  22.685  -8.829
  125   2HH2  ARG  15          2HH1      ARG  15   4.321  23.177  -7.205
  126    H    CYS  16           H        CYS  16  -1.061  17.523 -10.376
  127    HA   CYS  16           HA       CYS  16  -2.178  18.237 -12.875
  128   1HB   CYS  16          HB2       CYS  16  -1.806  15.388 -12.561
  129   2HB   CYS  16          HB1       CYS  16  -3.529  15.752 -12.630
  130    H    ASN  17           H        ASN  17  -3.254  15.990 -10.338
  131    HA   ASN  17           HA       ASN  17  -4.897  18.040  -9.032
  132   1HB   ASN  17          HB2       ASN  17  -6.112  15.722 -10.560
  133   2HB   ASN  17          HB1       ASN  17  -6.976  16.562  -9.270
  134   1HD2  ASN  17          1HD2      ASN  17  -5.926  16.792 -12.597
  135   2HD2  ASN  17          2HD2      ASN  17  -6.591  18.322 -12.909
  136    H    ALA  18           H        ALA  18  -4.160  17.647  -7.014
  137    HA   ALA  18           HA       ALA  18  -3.298  15.046  -6.088
  138   1HB   ALA  18          HB1       ALA  18  -3.484  17.793  -4.984
  139   2HB   ALA  18          HB2       ALA  18  -2.158  16.635  -4.905
  140   3HB   ALA  18          HB3       ALA  18  -3.524  16.483  -3.802
  141    H    LEU  19           H        LEU  19  -4.175  14.456  -3.744
  142    HA   LEU  19           HA       LEU  19  -5.896  13.569  -2.440
  143   1HB   LEU  19          HB2       LEU  19  -6.791  16.064  -3.070
  144   2HB   LEU  19          HB1       LEU  19  -8.059  15.081  -3.800
  145    HG   LEU  19           HG       LEU  19  -8.144  13.812  -1.573
  146   1HD1  LEU  19          1HD1      LEU  19  -6.949  16.293  -0.385
  147   2HD1  LEU  19          2HD1      LEU  19  -5.878  15.005  -0.936
  148   3HD1  LEU  19          3HD1      LEU  19  -7.084  14.678   0.307
  149   1HD2  LEU  19          1HD2      LEU  19  -9.972  15.237  -2.016
  150   2HD2  LEU  19          2HD2      LEU  19  -8.974  16.689  -1.942
  151   3HD2  LEU  19          3HD2      LEU  19  -9.374  15.818  -0.460
  152    H    ILE  20           H        ILE  20  -5.647  11.512  -3.468
  153    HA   ILE  20           HA       ILE  20  -8.004  10.608  -4.921
  154    HB   ILE  20           HB       ILE  20  -5.255  10.388  -6.215
  155   1HG1  ILE  20          2HG1      ILE  20  -7.757  11.890  -7.078
  156   2HG1  ILE  20          1HG1      ILE  20  -6.244  12.618  -6.552
  157   1HG2  ILE  20          1HG2      ILE  20  -6.606   8.362  -6.528
  158   2HG2  ILE  20          2HG2      ILE  20  -6.509   9.254  -8.045
  159   3HG2  ILE  20          3HG2      ILE  20  -7.974   9.336  -7.069
  160   1HD1  ILE  20          1HD1      ILE  20  -6.844  11.174  -9.113
  161   2HD1  ILE  20          2HD1      ILE  20  -5.193  11.195  -8.491
  162   3HD1  ILE  20          3HD1      ILE  20  -6.012  12.710  -8.866
  163    HA   PRO  21           HA       PRO  21  -6.669   7.327  -2.244
  164   1HB   PRO  21          HB2       PRO  21  -8.445   5.376  -3.049
  165   2HB   PRO  21          HB1       PRO  21  -8.860   6.698  -1.944
  166   1HG   PRO  21          HG2       PRO  21  -9.556   6.369  -4.831
  167   2HG   PRO  21          HG1       PRO  21 -10.436   7.227  -3.554
  168   1HD   PRO  21          HD2       PRO  21  -8.842   8.449  -5.520
  169   2HD   PRO  21          HD1       PRO  21  -9.365   9.211  -4.002
  170    H    ALA  22           H        ALA  22  -4.659   7.420  -3.692
  171    HA   ALA  22           HA       ALA  22  -4.506   5.144  -5.594
  172   1HB   ALA  22          HB1       ALA  22  -3.517   7.456  -6.137
  173   2HB   ALA  22          HB2       ALA  22  -2.485   6.050  -6.389
  174   3HB   ALA  22          HB3       ALA  22  -2.268   7.054  -4.957
  175    H    PHE  23           H        PHE  23  -4.252   3.341  -4.529
  176    HA   PHE  23           HA       PHE  23  -2.486   3.244  -2.121
  177   1HB   PHE  23          HB2       PHE  23  -4.789   1.559  -3.097
  178   2HB   PHE  23          HB1       PHE  23  -3.754   1.053  -1.790
  179    HD1  PHE  23           HD1      PHE  23  -5.240   4.451  -2.600
  180    HD2  PHE  23           HD2      PHE  23  -4.946   1.151   0.168
  181    HE1  PHE  23           HE1      PHE  23  -6.661   5.673  -1.022
  182    HE2  PHE  23           HE2      PHE  23  -6.390   2.404   1.764
  183    HZ   PHE  23           HZ       PHE  23  -7.251   4.654   1.169
  184    H    TYR  24           H        TYR  24  -1.069   1.461  -1.853
  185    HA   TYR  24           HA       TYR  24  -0.812  -0.574  -3.884
  186   1HB   TYR  24          HB2       TYR  24   1.472  -0.146  -4.601
  187   2HB   TYR  24          HB1       TYR  24   0.416   1.191  -5.047
  188    HD1  TYR  24           HD1      TYR  24   0.868   3.347  -4.388
  189    HD2  TYR  24           HD2      TYR  24   2.806   0.062  -2.411
  190    HE1  TYR  24           HE1      TYR  24   2.350   4.941  -3.156
  191    HE2  TYR  24           HE2      TYR  24   4.277   1.627  -1.199
  192    HH   TYR  24           HH       TYR  24   3.657   4.899  -0.951
  193    H    TYR  25           H        TYR  25   1.452  -1.803  -3.338
  194    HA   TYR  25           HA       TYR  25   1.109  -2.464  -0.474
  195   1HB   TYR  25          HB2       TYR  25   0.999  -4.200  -2.295
  196   2HB   TYR  25          HB1       TYR  25   2.726  -3.958  -2.540
  197    HD1  TYR  25           HD1      TYR  25   4.340  -4.842  -0.992
  198    HD2  TYR  25           HD2      TYR  25   0.141  -5.021  -0.099
  199    HE1  TYR  25           HE1      TYR  25   4.805  -6.377   0.900
  200    HE2  TYR  25           HE2      TYR  25   0.609  -6.551   1.794
  201    HH   TYR  25           HH       TYR  25   2.525  -8.237   2.361
  202    H    ASN  26           H        ASN  26   2.616  -2.248   1.017
  203    HA   ASN  26           HA       ASN  26   5.268  -1.080   0.276
  204   1HB   ASN  26          HB2       ASN  26   3.363  -0.590   2.506
  205   2HB   ASN  26          HB1       ASN  26   5.067  -0.633   2.953
  206   1HD2  ASN  26          1HD2      ASN  26   3.142   1.720   2.744
  207   2HD2  ASN  26          2HD2      ASN  26   3.915   2.818   1.705
  208    H    SER  27           H        SER  27   7.019  -2.336   0.686
  209    HA   SER  27           HA       SER  27   6.766  -5.028   1.679
  210   1HB   SER  27          HB2       SER  27   8.628  -3.689   0.181
  211   2HB   SER  27          HB1       SER  27   9.466  -3.829   1.724
  212    HG   SER  27           HG       SER  27   8.197  -5.955   0.326
  213    H    HIS  28           H        HIS  28   8.399  -2.155   3.058
  214    HA   HIS  28           HA       HIS  28   9.150  -3.327   5.529
  215   1HB   HIS  28          HB2       HIS  28   9.406  -0.826   4.347
  216   2HB   HIS  28          HB1       HIS  28   8.384  -0.498   5.745
  217    HD1  HIS  28           HD1      HIS  28  11.468   0.322   5.446
  218    HD2  HIS  28           HD2      HIS  28   9.992  -2.918   7.616
  219    HE1  HIS  28           HE1      HIS  28  13.221  -0.232   7.187
  220    H    LEU  29           H        LEU  29   6.085  -1.975   4.456
  221    HA   LEU  29           HA       LEU  29   4.904  -2.070   7.147
  222   1HB   LEU  29          HB2       LEU  29   4.260  -0.330   5.441
  223   2HB   LEU  29          HB1       LEU  29   3.527  -1.615   4.482
  224    HG   LEU  29           HG       LEU  29   2.338  -2.139   6.831
  225   1HD1  LEU  29          1HD1      LEU  29   2.854   0.852   6.846
  226   2HD1  LEU  29          2HD1      LEU  29   3.472  -0.311   8.020
  227   3HD1  LEU  29          3HD1      LEU  29   1.740   0.008   7.921
  228   1HD2  LEU  29          1HD2      LEU  29   1.068  -1.771   4.829
  229   2HD2  LEU  29          2HD2      LEU  29   1.573  -0.083   4.743
  230   3HD2  LEU  29          3HD2      LEU  29   0.464  -0.608   6.010
  231    H    HIS  30           H        HIS  30   5.107  -4.094   4.314
  232    HA   HIS  30           HA       HIS  30   4.390  -6.297   3.925
  233   1HB   HIS  30          HB2       HIS  30   4.624  -6.015   6.842
  234   2HB   HIS  30          HB1       HIS  30   3.412  -7.210   6.383
  235    HD1  HIS  30           HD1      HIS  30   4.253  -9.407   5.365
  236    HD2  HIS  30           HD2      HIS  30   7.263  -6.566   5.869
  237    HE1  HIS  30           HE1      HIS  30   6.440 -10.594   4.882
  238    H    LYS  31           H        LYS  31   2.591  -3.956   3.783
  239    HA   LYS  31           HA       LYS  31   0.033  -5.360   3.529
  240   1HB   LYS  31          HB2       LYS  31   0.623  -3.530   5.797
  241   2HB   LYS  31          HB1       LYS  31  -0.920  -3.278   4.985
  242   1HG   LYS  31          HG2       LYS  31  -1.189  -5.862   5.194
  243   2HG   LYS  31          HG1       LYS  31   0.077  -5.732   6.416
  244   1HD   LYS  31          HD2       LYS  31  -1.541  -3.719   7.225
  245   2HD   LYS  31          HD1       LYS  31  -2.741  -4.793   6.505
  246   1HE   LYS  31          HE2       LYS  31  -0.697  -6.058   8.262
  247   2HE   LYS  31          HE1       LYS  31  -1.916  -5.060   9.055
  248   1HZ   LYS  31          HZ1       LYS  31  -3.502  -6.417   7.493
  249   2HZ   LYS  31          HZ2       LYS  31  -2.992  -7.050   8.985
  250   3HZ   LYS  31          HZ3       LYS  31  -2.240  -7.549   7.543
  251    H    CYS  32           H        CYS  32  -1.645  -3.253   3.190
  252    HA   CYS  32           HA       CYS  32  -0.483  -1.902   0.818
  253   1HB   CYS  32          HB2       CYS  32  -2.739  -3.034   0.691
  254   2HB   CYS  32          HB1       CYS  32  -3.344  -1.819   1.809
  255    H    GLN  33           H        GLN  33  -0.647   0.359   0.534
  256    HA   GLN  33           HA       GLN  33  -1.298   2.007   2.919
  257   1HB   GLN  33          HB2       GLN  33   1.166   1.624   2.938
  258   2HB   GLN  33          HB1       GLN  33   1.265   2.287   1.306
  259   1HG   GLN  33          HG2       GLN  33   0.581   4.451   2.032
  260   2HG   GLN  33          HG1       GLN  33   0.044   3.839   3.597
  261   1HE2  GLN  33          1HE2      GLN  33   1.644   3.530   5.255
  262   2HE2  GLN  33          2HE2      GLN  33   3.266   3.987   5.059
  263    H    LYS  34           H        LYS  34  -1.891   4.169   2.331
  264    HA   LYS  34           HA       LYS  34  -2.730   4.385  -0.517
  265   1HB   LYS  34          HB2       LYS  34  -4.370   6.002   0.252
  266   2HB   LYS  34          HB1       LYS  34  -4.425   4.623   1.345
  267   1HG   LYS  34          HG2       LYS  34  -2.806   5.920   2.844
  268   2HG   LYS  34          HG1       LYS  34  -3.180   7.327   1.847
  269   1HD   LYS  34          HD2       LYS  34  -5.468   5.726   2.914
  270   2HD   LYS  34          HD1       LYS  34  -4.595   6.765   4.039
  271   1HE   LYS  34          HE2       LYS  34  -5.847   8.476   3.279
  272   2HE   LYS  34          HE1       LYS  34  -4.959   8.358   1.760
  273   1HZ   LYS  34          HZ1       LYS  34  -7.184   8.147   1.156
  274   2HZ   LYS  34          HZ2       LYS  34  -7.558   7.144   2.476
  275   3HZ   LYS  34          HZ3       LYS  34  -6.629   6.544   1.185
  276    H    PHE  35           H        PHE  35  -2.235   6.287  -1.710
  277    HA   PHE  35           HA       PHE  35  -0.346   8.197  -0.478
  278   1HB   PHE  35          HB2       PHE  35   1.387   7.868  -2.018
  279   2HB   PHE  35          HB1       PHE  35   0.848   6.229  -1.684
  280    HD1  PHE  35           HD1      PHE  35   0.009   4.835  -3.414
  281    HD2  PHE  35           HD2      PHE  35   0.590   9.027  -4.128
  282    HE1  PHE  35           HE1      PHE  35  -0.327   4.470  -5.840
  283    HE2  PHE  35           HE2      PHE  35   0.242   8.665  -6.558
  284    HZ   PHE  35           HZ       PHE  35  -0.215   6.384  -7.415
  285    H    ASN  36           H        ASN  36   0.080  10.050  -2.083
  286    HA   ASN  36           HA       ASN  36  -2.553  10.910  -3.138
  287   1HB   ASN  36          HB2       ASN  36  -0.798  12.215  -1.564
  288   2HB   ASN  36          HB1       ASN  36  -0.216  12.734  -3.142
  289   1HD2  ASN  36          1HD2      ASN  36  -3.073  12.748  -1.018
  290   2HD2  ASN  36          2HD2      ASN  36  -3.876  14.004  -1.830
  291    H    TYR  37           H        TYR  37  -2.943  10.758  -5.266
  292    HA   TYR  37           HA       TYR  37  -0.628  10.725  -7.165
  293   1HB   TYR  37          HB2       TYR  37  -2.010   8.619  -7.016
  294   2HB   TYR  37          HB1       TYR  37  -3.392   9.551  -7.593
  295    HD1  TYR  37           HD1      TYR  37   0.241   9.507  -8.559
  296    HD2  TYR  37           HD2      TYR  37  -3.837   9.012  -9.816
  297    HE1  TYR  37           HE1      TYR  37   0.999   9.208 -10.898
  298    HE2  TYR  37           HE2      TYR  37  -3.078   8.710 -12.156
  299    HH   TYR  37           HH       TYR  37  -0.699   7.850 -13.221
  300    H    GLY  38           H        GLY  38  -0.750  12.028  -9.009
  301   1HA   GLY  38          HA2       GLY  38  -2.452  14.388  -8.814
  302   2HA   GLY  38          HA1       GLY  38  -1.266  14.068 -10.079
  303    H    GLY  39           H        GLY  39  -2.114  11.709 -11.149
  304   1HA   GLY  39          HA2       GLY  39  -4.385  10.726 -11.848
  305   2HA   GLY  39          HA1       GLY  39  -4.813  12.392 -12.244
  306    H    CYS  40           H        CYS  40  -2.166  13.077 -13.259
  307    HA   CYS  40           HA       CYS  40  -2.272  11.619 -15.872
  308   1HB   CYS  40          HB2       CYS  40  -0.816  14.221 -15.559
  309   2HB   CYS  40          HB1       CYS  40  -1.656  13.576 -16.965
  310    H    GLY  41           H        GLY  41  -0.494  10.471 -16.483
  311   1HA   GLY  41          HA2       GLY  41   1.662   9.550 -16.447
  312   2HA   GLY  41          HA1       GLY  41   2.216  11.099 -15.809
  313    H    GLY  42           H        GLY  42   2.113   7.899 -15.103
  314   1HA   GLY  42          HA2       GLY  42   2.965   8.196 -12.385
  315   2HA   GLY  42          HA1       GLY  42   1.279   7.680 -12.403
  316    H    ASN  43           H        ASN  43   3.817   6.248 -11.616
  317    HA   ASN  43           HA       ASN  43   4.397   4.192 -13.537
  318   1HB   ASN  43          HB2       ASN  43   4.880   4.606 -10.616
  319   2HB   ASN  43          HB1       ASN  43   5.073   2.976 -11.257
  320   1HD2  ASN  43          1HD2      ASN  43   7.321   2.736 -11.475
  321   2HD2  ASN  43          2HD2      ASN  43   8.324   3.825 -12.304
  322    H    ALA  44           H        ALA  44   4.051   1.765 -12.427
  323    HA   ALA  44           HA       ALA  44   1.181   1.286 -12.724
  324   1HB   ALA  44          HB1       ALA  44   3.657  -0.344 -12.601
  325   2HB   ALA  44          HB2       ALA  44   2.250  -0.510 -13.654
  326   3HB   ALA  44          HB3       ALA  44   2.196  -1.131 -12.003
  327    H    ASN  45           H        ASN  45   3.485   1.474 -10.084
  328    HA   ASN  45           HA       ASN  45   1.995   0.123  -8.053
  329   1HB   ASN  45          HB2       ASN  45   4.272   2.000  -8.179
  330   2HB   ASN  45          HB1       ASN  45   3.336   2.108  -6.690
  331   1HD2  ASN  45          1HD2      ASN  45   3.332   0.250  -5.255
  332   2HD2  ASN  45          2HD2      ASN  45   4.401  -1.049  -5.476
  333    H    ASN  46           H        ASN  46  -0.235   0.788  -8.369
  334    HA   ASN  46           HA       ASN  46  -1.118   2.919  -6.706
  335   1HB   ASN  46          HB2       ASN  46  -2.001   4.482  -8.431
  336   2HB   ASN  46          HB1       ASN  46  -0.238   4.410  -8.420
  337   1HD2  ASN  46          1HD2      ASN  46  -3.056   3.914 -10.375
  338   2HD2  ASN  46          2HD2      ASN  46  -2.264   3.288 -11.739
  339    H    PHE  47           H        PHE  47  -3.024   2.265  -6.043
  340    HA   PHE  47           HA       PHE  47  -4.882   0.886  -7.963
  341   1HB   PHE  47          HB2       PHE  47  -4.593   0.263  -5.009
  342   2HB   PHE  47          HB1       PHE  47  -5.602  -0.592  -6.171
  343    HD1  PHE  47           HD1      PHE  47  -4.126  -1.227  -8.432
  344    HD2  PHE  47           HD2      PHE  47  -2.686  -0.855  -4.406
  345    HE1  PHE  47           HE1      PHE  47  -2.222  -2.719  -8.982
  346    HE2  PHE  47           HE2      PHE  47  -0.777  -2.350  -4.954
  347    HZ   PHE  47           HZ       PHE  47  -0.548  -3.282  -7.239
  348    H    LYS  48           H        LYS  48  -7.034   0.712  -6.033
  349    HA   LYS  48           HA       LYS  48  -7.704   3.606  -5.710
  350   1HB   LYS  48          HB2       LYS  48  -8.981   1.950  -7.376
  351   2HB   LYS  48          HB1       LYS  48  -9.853   1.544  -5.898
  352   1HG   LYS  48          HG2       LYS  48 -11.103   3.333  -6.776
  353   2HG   LYS  48          HG1       LYS  48 -10.066   4.117  -5.583
  354   1HD   LYS  48          HD2       LYS  48  -8.448   4.671  -7.390
  355   2HD   LYS  48          HD1       LYS  48  -9.546   3.954  -8.568
  356   1HE   LYS  48          HE2       LYS  48 -11.107   5.762  -7.043
  357   2HE   LYS  48          HE1       LYS  48  -9.605   6.603  -7.425
  358   1HZ   LYS  48          HZ1       LYS  48 -11.460   5.292  -9.335
  359   2HZ   LYS  48          HZ2       LYS  48  -9.927   5.892  -9.762
  360   3HZ   LYS  48          HZ3       LYS  48 -11.130   6.951  -9.198
  361    H    THR  49           H        THR  49  -7.441   0.518  -4.103
  362    HA   THR  49           HA       THR  49  -7.837   1.702  -1.509
  363    HB   THR  49           HB       THR  49  -9.760  -0.132  -1.092
  364    HG1  THR  49           HG1      THR  49  -9.778  -0.653  -3.352
  365   1HG2  THR  49          1HG2      THR  49 -11.114   1.673  -0.725
  366   2HG2  THR  49          2HG2      THR  49 -10.758   2.392  -2.295
  367   3HG2  THR  49          3HG2      THR  49  -9.604   2.551  -0.970
  368    H    ILE  50           H        ILE  50  -7.831  -0.066   0.179
  369    HA   ILE  50           HA       ILE  50  -5.557  -1.729  -0.114
  370    HB   ILE  50           HB       ILE  50  -6.331  -2.763   2.034
  371   1HG1  ILE  50          2HG1      ILE  50  -8.657  -0.835   1.792
  372   2HG1  ILE  50          1HG1      ILE  50  -8.787  -2.557   1.434
  373   1HG2  ILE  50          1HG2      ILE  50  -6.780   0.080   2.599
  374   2HG2  ILE  50          2HG2      ILE  50  -5.393  -0.200   1.551
  375   3HG2  ILE  50          3HG2      ILE  50  -5.474  -0.980   3.129
  376   1HD1  ILE  50          1HD1      ILE  50  -9.343  -2.669   3.655
  377   2HD1  ILE  50          2HD1      ILE  50  -8.479  -1.184   4.051
  378   3HD1  ILE  50          3HD1      ILE  50  -7.591  -2.694   3.853
  379    H    ASP  51           H        ASP  51  -8.940  -2.344  -0.799
  380    HA   ASP  51           HA       ASP  51  -8.911  -5.201  -0.722
  381   1HB   ASP  51          HB2       ASP  51 -10.818  -4.985  -2.436
  382   2HB   ASP  51          HB1       ASP  51 -11.056  -4.192  -0.880
  383    H    GLU  52           H        GLU  52  -8.439  -3.028  -3.551
  384    HA   GLU  52           HA       GLU  52  -7.763  -5.134  -5.376
  385   1HB   GLU  52          HB2       GLU  52  -8.153  -2.416  -5.600
  386   2HB   GLU  52          HB1       GLU  52  -6.409  -2.548  -5.827
  387   1HG   GLU  52          HG2       GLU  52  -7.283  -4.627  -7.369
  388   2HG   GLU  52          HG1       GLU  52  -8.615  -3.488  -7.563
  389    H    CYS  53           H        CYS  53  -5.948  -3.309  -3.003
  390    HA   CYS  53           HA       CYS  53  -3.274  -3.882  -3.733
  391   1HB   CYS  53          HB2       CYS  53  -4.727  -2.981  -1.381
  392   2HB   CYS  53          HB1       CYS  53  -3.390  -4.028  -0.923
  393    H    GLN  54           H        GLN  54  -5.490  -5.681  -1.614
  394    HA   GLN  54           HA       GLN  54  -3.728  -7.822  -1.003
  395   1HB   GLN  54          HB2       GLN  54  -5.799  -7.298   0.268
  396   2HB   GLN  54          HB1       GLN  54  -6.755  -7.876  -1.096
  397   1HG   GLN  54          HG2       GLN  54  -5.592 -10.095  -0.895
  398   2HG   GLN  54          HG1       GLN  54  -4.803  -9.500   0.566
  399   1HE2  GLN  54          1HE2      GLN  54  -8.005 -10.291  -0.819
  400   2HE2  GLN  54          2HE2      GLN  54  -8.788 -10.460   0.678
  401    H    ARG  55           H        ARG  55  -6.207  -7.519  -3.530
  402    HA   ARG  55           HA       ARG  55  -5.993 -10.176  -4.541
  403   1HB   ARG  55          HB2       ARG  55  -6.946  -7.595  -5.781
  404   2HB   ARG  55          HB1       ARG  55  -7.044  -9.147  -6.615
  405   1HG   ARG  55          HG2       ARG  55  -8.096  -8.950  -3.816
  406   2HG   ARG  55          HG1       ARG  55  -9.070  -8.299  -5.135
  407   1HD   ARG  55          HD2       ARG  55  -9.829 -10.440  -5.304
  408   2HD   ARG  55          HD1       ARG  55  -8.328 -10.704  -6.191
  409    HE   ARG  55           HE       ARG  55  -8.382 -11.132  -3.241
  410   1HH1  ARG  55          1HH1      ARG  55  -9.155 -12.887  -5.942
  411   2HH1  ARG  55          2HH1      ARG  55  -7.942 -14.106  -5.738
  412   1HH2  ARG  55          1HH2      ARG  55  -6.296 -12.422  -3.195
  413   2HH2  ARG  55          2HH2      ARG  55  -6.327 -13.847  -4.179
  414    H    THR  56           H        THR  56  -4.163  -7.239  -5.435
  415    HA   THR  56           HA       THR  56  -2.848  -8.731  -7.620
  416    HB   THR  56           HB       THR  56  -3.590  -6.449  -8.076
  417    HG1  THR  56           HG1      THR  56  -1.941  -6.327  -9.337
  418   1HG2  THR  56          1HG2      THR  56  -2.952  -5.746  -5.606
  419   2HG2  THR  56          2HG2      THR  56  -2.883  -4.577  -6.917
  420   3HG2  THR  56          3HG2      THR  56  -1.405  -5.353  -6.350
  421    H    CYS  57           H        CYS  57  -1.667  -6.934  -4.709
  422    HA   CYS  57           HA       CYS  57   1.006  -8.121  -5.150
  423   1HB   CYS  57          HB2       CYS  57   0.651  -5.679  -4.548
  424   2HB   CYS  57          HB1       CYS  57   0.199  -6.233  -2.936
  425    H    ALA  58           H        ALA  58  -1.672  -8.393  -2.837
  426    HA   ALA  58           HA       ALA  58  -0.047 -10.043  -1.016
  427   1HB   ALA  58          HB1       ALA  58  -1.955  -8.440  -0.330
  428   2HB   ALA  58          HB2       ALA  58  -1.883 -10.017   0.454
  429   3HB   ALA  58          HB3       ALA  58  -3.038  -9.730  -0.846
  430    H    ALA  59           H        ALA  59   0.428 -12.025  -1.686
  431    HA   ALA  59           HA       ALA  59  -1.631 -14.010  -2.127
  432   1HB   ALA  59          HB1       ALA  59   0.024 -14.137  -4.511
  433   2HB   ALA  59          HB2       ALA  59  -0.809 -12.586  -4.422
  434   3HB   ALA  59          HB3       ALA  59  -1.735 -14.086  -4.381
  435    H    LYS  60           H        LYS  60  -0.741 -15.626  -0.956
  436    HA   LYS  60           HA       LYS  60   2.071 -16.428  -1.489
  437   1HB   LYS  60          HB2       LYS  60   2.490 -16.626   0.960
  438   2HB   LYS  60          HB1       LYS  60   2.203 -14.958   0.462
  439   1HG   LYS  60          HG2       LYS  60  -0.336 -15.670   1.007
  440   2HG   LYS  60          HG1       LYS  60   0.499 -16.763   2.110
  441   1HD   LYS  60          HD2       LYS  60   0.474 -14.971   3.518
  442   2HD   LYS  60          HD1       LYS  60   1.866 -14.448   2.570
  443   1HE   LYS  60          HE2       LYS  60  -0.841 -13.765   1.518
  444   2HE   LYS  60          HE1       LYS  60  -0.276 -12.876   2.930
  445   1HZ   LYS  60          HZ1       LYS  60   0.540 -12.646   0.211
  446   2HZ   LYS  60          HZ2       LYS  60   1.878 -12.929   1.220
  447   3HZ   LYS  60          HZ3       LYS  60   0.850 -11.611   1.515
  448    H    TYR  61           H        TYR  61   2.424 -18.476   0.133
  449    HA   TYR  61           HA       TYR  61   0.138 -20.326  -0.418
  450   1HB   TYR  61          HB2       TYR  61   2.366 -20.765  -1.562
  451   2HB   TYR  61          HB1       TYR  61   3.038 -21.074   0.038
  452    HD1  TYR  61           HD1      TYR  61   0.913 -22.349  -2.639
  453    HD2  TYR  61           HD2      TYR  61   2.172 -22.962   1.422
  454    HE1  TYR  61           HE1      TYR  61   0.022 -24.662  -2.710
  455    HE2  TYR  61           HE2      TYR  61   1.282 -25.276   1.349
  456    HH   TYR  61           HH       TYR  61   0.837 -27.011  -0.652
  457    H    GLY  62           H        GLY  62   2.734 -19.598   1.912
  458   1HA   GLY  62          HA2       GLY  62   2.539 -19.535   4.290
  459   2HA   GLY  62          HA1       GLY  62   0.945 -20.282   4.159
  460    H    ARG  63           H        ARG  63   1.788 -21.693   5.917
  461    HA   ARG  63           HA       ARG  63   3.639 -23.824   4.940
  462   1HB   ARG  63          HB2       ARG  63   3.380 -22.442   7.449
  463   2HB   ARG  63          HB1       ARG  63   3.031 -24.147   7.719
  464   1HG   ARG  63          HG2       ARG  63   5.171 -24.796   7.247
  465   2HG   ARG  63          HG1       ARG  63   5.367 -23.585   5.982
  466   1HD   ARG  63          HD2       ARG  63   5.113 -22.169   8.437
  467   2HD   ARG  63          HD1       ARG  63   6.260 -23.480   8.714
  468    HE   ARG  63           HE       ARG  63   7.566 -22.593   6.773
  469   1HH1  ARG  63          1HH2      ARG  63   5.589 -20.794   5.534
  470   2HH1  ARG  63          2HH2      ARG  63   6.037 -19.238   6.149
  471   1HH2  ARG  63          1HH1      ARG  63   7.953 -20.517   8.740
  472   2HH2  ARG  63          2HH1      ARG  63   7.382 -19.081   7.957
  473    H    SER  64           H        SER  64   2.863 -25.865   6.663
  474    HA   SER  64           HA       SER  64   0.525 -26.925   5.323
  475   1HB   SER  64          HB2       SER  64   1.735 -28.023   7.863
  476   2HB   SER  64          HB1       SER  64   0.914 -28.905   6.578
  477    HG   SER  64           HG       SER  64   2.676 -28.810   5.371
  478    H    SER  65           H        SER  65  -1.553 -27.277   6.194
  479    HA   SER  65           HA       SER  65  -2.529 -25.300   8.053
  480   1HB   SER  65          HB2       SER  65  -3.974 -27.838   7.272
  481   2HB   SER  65          HB1       SER  65  -4.673 -26.285   7.724
  482    HG   SER  65           HG       SER  65  -4.728 -26.303   5.543
  Start of MODEL   10
    1   1H    LYS   1          HT1       LYS   1  10.950 -14.719  -5.736
    2   2H    LYS   1          HT2       LYS   1  12.013 -15.928  -5.192
    3   3H    LYS   1          HT3       LYS   1  10.770 -16.314  -6.284
    4    HA   LYS   1           HA       LYS   1  12.818 -14.324  -7.009
    5   1HB   LYS   1          HB2       LYS   1  14.063 -16.221  -8.093
    6   2HB   LYS   1          HB1       LYS   1  14.112 -16.259  -6.330
    7   1HG   LYS   1          HG2       LYS   1  12.165 -17.854  -6.379
    8   2HG   LYS   1          HG1       LYS   1  12.323 -17.913  -8.135
    9   1HD   LYS   1          HD2       LYS   1  14.864 -18.433  -7.541
   10   2HD   LYS   1          HD1       LYS   1  14.152 -19.000  -6.031
   11   1HE   LYS   1          HE2       LYS   1  12.709 -19.916  -8.427
   12   2HE   LYS   1          HE1       LYS   1  14.369 -20.503  -8.330
   13   1HZ   LYS   1          HZ1       LYS   1  13.109 -22.054  -7.154
   14   2HZ   LYS   1          HZ2       LYS   1  12.179 -20.862  -6.377
   15   3HZ   LYS   1          HZ3       LYS   1  13.807 -21.090  -5.946
   16    H    ASN   2           H        ASN   2  12.909 -14.126  -9.338
   17    HA   ASN   2           HA       ASN   2  11.918 -13.919 -11.447
   18   1HB   ASN   2          HB2       ASN   2  11.741 -16.683 -10.688
   19   2HB   ASN   2          HB1       ASN   2  10.255 -16.254 -11.537
   20   1HD2  ASN   2          1HD2      ASN   2  13.833 -15.891 -11.870
   21   2HD2  ASN   2          2HD2      ASN   2  13.832 -15.994 -13.564
   22    H    ARG   3           H        ARG   3  10.630 -12.132 -10.826
   23    HA   ARG   3           HA       ARG   3   7.814 -12.378 -11.192
   24   1HB   ARG   3          HB2       ARG   3   8.763 -12.838  -8.488
   25   2HB   ARG   3          HB1       ARG   3   7.729 -11.411  -8.536
   26   1HG   ARG   3          HG2       ARG   3   5.859 -12.632  -9.007
   27   2HG   ARG   3          HG1       ARG   3   6.724 -13.704 -10.108
   28   1HD   ARG   3          HD2       ARG   3   7.803 -14.377  -7.656
   29   2HD   ARG   3          HD1       ARG   3   6.119 -14.040  -7.254
   30    HE   ARG   3           HE       ARG   3   6.606 -15.814  -9.571
   31   1HH1  ARG   3          1HH1      ARG   3   4.376 -15.195  -7.270
   32   2HH1  ARG   3          2HH1      ARG   3   4.225 -16.813  -6.670
   33   1HH2  ARG   3          1HH2      ARG   3   7.013 -17.984  -8.369
   34   2HH2  ARG   3          2HH2      ARG   3   5.723 -18.392  -7.289
   35    HA   PRO   4           HA       PRO   4   8.229  -7.996 -11.602
   36   1HB   PRO   4          HB2       PRO   4   5.862  -6.993 -10.631
   37   2HB   PRO   4          HB1       PRO   4   5.995  -7.850 -12.177
   38   1HG   PRO   4          HG2       PRO   4   4.880  -8.803  -9.580
   39   2HG   PRO   4          HG1       PRO   4   4.461  -9.298 -11.231
   40   1HD   PRO   4          HD2       PRO   4   6.098 -10.744  -9.450
   41   2HD   PRO   4          HD1       PRO   4   5.977 -11.022 -11.201
   42    H    THR   5           H        THR   5   6.663  -8.637  -8.475
   43    HA   THR   5           HA       THR   5   6.920  -7.701  -6.363
   44    HB   THR   5           HB       THR   5   9.185  -7.464  -5.559
   45    HG1  THR   5           HG1      THR   5  10.286  -6.311  -6.981
   46   1HG2  THR   5          1HG2      THR   5   9.287  -9.576  -7.716
   47   2HG2  THR   5          2HG2      THR   5   8.318  -9.752  -6.253
   48   3HG2  THR   5          3HG2      THR   5  10.071  -9.603  -6.136
   49    H    PHE   6           H        PHE   6   6.386  -5.934  -8.754
   50    HA   PHE   6           HA       PHE   6   7.523  -3.404  -8.661
   51   1HB   PHE   6          HB2       PHE   6   5.481  -2.596  -9.651
   52   2HB   PHE   6          HB1       PHE   6   5.748  -4.225 -10.253
   53    HD1  PHE   6           HD1      PHE   6   3.218  -2.188  -9.449
   54    HD2  PHE   6           HD2      PHE   6   4.705  -6.012  -8.175
   55    HE1  PHE   6           HE1      PHE   6   0.961  -2.826  -8.655
   56    HE2  PHE   6           HE2      PHE   6   2.490  -6.637  -7.382
   57    HZ   PHE   6           HZ       PHE   6   0.589  -5.051  -7.613
   58    H    CYS   7           H        CYS   7   5.438  -4.898  -6.289
   59    HA   CYS   7           HA       CYS   7   4.356  -2.709  -4.885
   60   1HB   CYS   7          HB2       CYS   7   5.527  -5.231  -3.665
   61   2HB   CYS   7          HB1       CYS   7   4.327  -4.172  -2.924
   62    H    ASN   8           H        ASN   8   7.704  -3.698  -5.093
   63    HA   ASN   8           HA       ASN   8   8.584  -2.218  -2.733
   64   1HB   ASN   8          HB2       ASN   8  10.232  -3.245  -5.060
   65   2HB   ASN   8          HB1       ASN   8  10.831  -2.777  -3.468
   66   1HD2  ASN   8          1HD2      ASN   8   9.734  -4.077  -1.579
   67   2HD2  ASN   8          2HD2      ASN   8   9.474  -5.730  -1.862
   68    H    LEU   9           H        LEU   9   7.997  -1.451  -6.079
   69    HA   LEU   9           HA       LEU   9   9.773   0.731  -6.462
   70   1HB   LEU   9          HB2       LEU   9   7.186  -0.121  -7.666
   71   2HB   LEU   9          HB1       LEU   9   7.698   1.540  -7.950
   72    HG   LEU   9           HG       LEU   9   9.929   0.653  -8.692
   73   1HD1  LEU   9          1HD1      LEU   9  10.282  -1.478  -7.944
   74   2HD1  LEU   9          2HD1      LEU   9   9.468  -1.920  -9.444
   75   3HD1  LEU   9          3HD1      LEU   9   8.563  -1.868  -7.932
   76   1HD2  LEU   9          1HD2      LEU   9   8.034   1.234 -10.251
   77   2HD2  LEU   9          2HD2      LEU   9   7.573  -0.469 -10.239
   78   3HD2  LEU   9          3HD2      LEU   9   9.138   0.018 -10.894
   79    H    LEU  10           H        LEU  10   9.131   3.027  -6.617
   80    HA   LEU  10           HA       LEU  10   7.282   3.859  -4.421
   81   1HB   LEU  10          HB2       LEU  10   9.833   5.244  -5.313
   82   2HB   LEU  10          HB1       LEU  10   8.780   5.751  -3.992
   83    HG   LEU  10           HG       LEU  10   9.991   2.990  -4.028
   84   1HD1  LEU  10          1HD1      LEU  10  11.593   5.197  -4.113
   85   2HD1  LEU  10          2HD1      LEU  10  12.016   3.711  -3.265
   86   3HD1  LEU  10          3HD1      LEU  10  11.315   5.063  -2.376
   87   1HD2  LEU  10          1HD2      LEU  10   8.967   4.861  -1.868
   88   2HD2  LEU  10          2HD2      LEU  10   9.722   3.298  -1.553
   89   3HD2  LEU  10          3HD2      LEU  10   8.194   3.379  -2.429
   90    HA   PRO  11           HA       PRO  11   5.589   5.623  -8.280
   91   1HB   PRO  11          HB2       PRO  11   3.086   6.123  -7.250
   92   2HB   PRO  11          HB1       PRO  11   3.588   4.565  -7.925
   93   1HG   PRO  11          HG2       PRO  11   3.274   5.361  -5.059
   94   2HG   PRO  11          HG1       PRO  11   3.050   3.774  -5.815
   95   1HD   PRO  11          HD2       PRO  11   5.305   4.521  -4.344
   96   2HD   PRO  11          HD1       PRO  11   5.263   3.192  -5.524
   97    H    GLU  12           H        GLU  12   5.051   7.744  -8.913
   98    HA   GLU  12           HA       GLU  12   5.508   9.861  -6.850
   99   1HB   GLU  12          HB2       GLU  12   6.034   9.958  -9.836
  100   2HB   GLU  12          HB1       GLU  12   6.418  11.227  -8.671
  101   1HG   GLU  12          HG2       GLU  12   8.269  10.143  -7.905
  102   2HG   GLU  12          HG1       GLU  12   7.498   8.559  -7.988
  103    H    THR  13           H        THR  13   4.497  12.036  -7.645
  104    HA   THR  13           HA       THR  13   1.644  11.512  -8.233
  105    HB   THR  13           HB       THR  13   1.791  14.218  -7.926
  106    HG1  THR  13           HG1      THR  13   3.330  14.691  -6.414
  107   1HG2  THR  13          1HG2      THR  13   1.010  13.841  -5.671
  108   2HG2  THR  13          2HG2      THR  13   1.768  12.248  -5.630
  109   3HG2  THR  13          3HG2      THR  13   0.392  12.544  -6.693
  110    H    GLY  14           H        GLY  14   4.259  13.606  -9.459
  111   1HA   GLY  14          HA2       GLY  14   4.670  13.738 -11.892
  112   2HA   GLY  14          HA1       GLY  14   2.930  13.571 -12.137
  113    H    ARG  15           H        ARG  15   4.718  15.628  -9.854
  114    HA   ARG  15           HA       ARG  15   4.681  17.940  -9.494
  115   1HB   ARG  15          HB2       ARG  15   5.282  17.583 -12.141
  116   2HB   ARG  15          HB1       ARG  15   3.841  18.594 -12.254
  117   1HG   ARG  15          HG2       ARG  15   5.488  20.224 -12.052
  118   2HG   ARG  15          HG1       ARG  15   5.054  19.988 -10.359
  119   1HD   ARG  15          HD2       ARG  15   6.987  18.023 -10.854
  120   2HD   ARG  15          HD1       ARG  15   7.581  19.450 -11.703
  121    HE   ARG  15           HE       ARG  15   6.826  19.527  -8.807
  122   1HH1  ARG  15          1HH2      ARG  15   9.683  18.919  -9.858
  123   2HH1  ARG  15          2HH2      ARG  15  10.417  20.476  -9.660
  124   1HH2  ARG  15          1HH1      ARG  15   7.404  22.140  -9.247
  125   2HH2  ARG  15          2HH1      ARG  15   9.127  22.299  -9.319
  126    H    CYS  16           H        CYS  16   2.214  16.345  -9.211
  127    HA   CYS  16           HA       CYS  16   0.285  18.589  -9.196
  128   1HB   CYS  16          HB2       CYS  16  -0.362  15.882 -10.397
  129   2HB   CYS  16          HB1       CYS  16  -1.487  17.223 -10.187
  130    H    ASN  17           H        ASN  17  -0.646  18.634  -7.253
  131    HA   ASN  17           HA       ASN  17  -0.670  16.148  -5.590
  132   1HB   ASN  17          HB2       ASN  17   0.674  18.173  -4.782
  133   2HB   ASN  17          HB1       ASN  17  -0.877  18.980  -4.550
  134   1HD2  ASN  17          1HD2      ASN  17   1.360  16.801  -3.107
  135   2HD2  ASN  17          2HD2      ASN  17   0.378  16.289  -1.823
  136    H    ALA  18           H        ALA  18  -2.613  15.342  -5.037
  137    HA   ALA  18           HA       ALA  18  -4.971  16.981  -4.584
  138   1HB   ALA  18          HB1       ALA  18  -6.316  16.272  -6.424
  139   2HB   ALA  18          HB2       ALA  18  -5.121  15.078  -6.931
  140   3HB   ALA  18          HB3       ALA  18  -4.791  16.799  -7.135
  141    H    LEU  19           H        LEU  19  -6.126  15.909  -3.059
  142    HA   LEU  19           HA       LEU  19  -5.384  13.367  -2.042
  143   1HB   LEU  19          HB2       LEU  19  -6.822  15.252  -0.961
  144   2HB   LEU  19          HB1       LEU  19  -8.181  14.444  -1.746
  145    HG   LEU  19           HG       LEU  19  -7.081  12.280  -0.673
  146   1HD1  LEU  19          1HD1      LEU  19  -6.036  12.738   1.481
  147   2HD1  LEU  19          2HD1      LEU  19  -6.234  14.475   1.244
  148   3HD1  LEU  19          3HD1      LEU  19  -5.130  13.563   0.214
  149   1HD2  LEU  19          1HD2      LEU  19  -8.720  14.341   0.833
  150   2HD2  LEU  19          2HD2      LEU  19  -8.530  12.663   1.340
  151   3HD2  LEU  19          3HD2      LEU  19  -9.340  13.039  -0.180
  152    H    ILE  20           H        ILE  20  -5.624  11.420  -2.965
  153    HA   ILE  20           HA       ILE  20  -8.153  10.645  -4.202
  154    HB   ILE  20           HB       ILE  20  -5.557  10.558  -5.790
  155   1HG1  ILE  20          2HG1      ILE  20  -8.135  12.120  -6.201
  156   2HG1  ILE  20          1HG1      ILE  20  -6.568  12.804  -5.780
  157   1HG2  ILE  20          1HG2      ILE  20  -8.350   9.692  -6.603
  158   2HG2  ILE  20          2HG2      ILE  20  -7.111   8.574  -6.033
  159   3HG2  ILE  20          3HG2      ILE  20  -6.862   9.480  -7.525
  160   1HD1  ILE  20          1HD1      ILE  20  -7.501  11.674  -8.393
  161   2HD1  ILE  20          2HD1      ILE  20  -5.791  11.551  -7.982
  162   3HD1  ILE  20          3HD1      ILE  20  -6.564  13.134  -8.075
  163    HA   PRO  21           HA       PRO  21  -6.663   7.178  -1.932
  164   1HB   PRO  21          HB2       PRO  21  -8.507   5.297  -2.737
  165   2HB   PRO  21          HB1       PRO  21  -8.830   6.556  -1.537
  166   1HG   PRO  21          HG2       PRO  21  -9.728   6.395  -4.376
  167   2HG   PRO  21          HG1       PRO  21 -10.492   7.207  -2.999
  168   1HD   PRO  21          HD2       PRO  21  -8.986   8.472  -5.022
  169   2HD   PRO  21          HD1       PRO  21  -9.433   9.190  -3.460
  170    H    ALA  22           H        ALA  22  -4.709   7.280  -3.430
  171    HA   ALA  22           HA       ALA  22  -4.681   5.055  -5.413
  172   1HB   ALA  22          HB1       ALA  22  -2.347   6.859  -4.858
  173   2HB   ALA  22          HB2       ALA  22  -3.665   7.413  -5.892
  174   3HB   ALA  22          HB3       ALA  22  -2.740   5.975  -6.330
  175    H    PHE  23           H        PHE  23  -4.397   3.232  -4.352
  176    HA   PHE  23           HA       PHE  23  -2.523   3.132  -2.033
  177   1HB   PHE  23          HB2       PHE  23  -4.855   1.424  -2.881
  178   2HB   PHE  23          HB1       PHE  23  -3.758   0.950  -1.610
  179    HD1  PHE  23           HD1      PHE  23  -5.346   4.306  -2.430
  180    HD2  PHE  23           HD2      PHE  23  -4.835   1.091   0.409
  181    HE1  PHE  23           HE1      PHE  23  -6.713   5.535  -0.805
  182    HE2  PHE  23           HE2      PHE  23  -6.216   2.353   2.044
  183    HZ   PHE  23           HZ       PHE  23  -7.159   4.566   1.439
  184    H    TYR  24           H        TYR  24  -1.007   1.478  -1.859
  185    HA   TYR  24           HA       TYR  24  -0.841  -0.599  -3.881
  186   1HB   TYR  24          HB2       TYR  24   1.429  -0.156  -4.630
  187   2HB   TYR  24          HB1       TYR  24   0.361   1.179  -5.049
  188    HD1  TYR  24           HD1      TYR  24   0.777   3.331  -4.337
  189    HD2  TYR  24           HD2      TYR  24   2.834   0.033  -2.500
  190    HE1  TYR  24           HE1      TYR  24   2.276   4.926  -3.131
  191    HE2  TYR  24           HE2      TYR  24   4.334   1.605  -1.318
  192    HH   TYR  24           HH       TYR  24   3.902   4.363  -0.591
  193    H    TYR  25           H        TYR  25   1.236  -1.996  -3.359
  194    HA   TYR  25           HA       TYR  25   1.048  -2.502  -0.452
  195   1HB   TYR  25          HB2       TYR  25   0.668  -4.291  -2.159
  196   2HB   TYR  25          HB1       TYR  25   2.375  -4.183  -2.575
  197    HD1  TYR  25           HD1      TYR  25  -0.074  -5.283  -0.085
  198    HD2  TYR  25           HD2      TYR  25   4.112  -4.803  -0.929
  199    HE1  TYR  25           HE1      TYR  25   0.481  -6.768   1.819
  200    HE2  TYR  25           HE2      TYR  25   4.664  -6.288   0.974
  201    HH   TYR  25           HH       TYR  25   3.306  -8.259   2.217
  202    H    ASN  26           H        ASN  26   2.645  -2.327   0.934
  203    HA   ASN  26           HA       ASN  26   5.337  -1.421  -0.001
  204   1HB   ASN  26          HB2       ASN  26   3.556  -0.577   2.195
  205   2HB   ASN  26          HB1       ASN  26   5.220  -0.852   2.706
  206   1HD2  ASN  26          1HD2      ASN  26   3.156   1.439   1.276
  207   2HD2  ASN  26          2HD2      ASN  26   4.341   2.478   0.649
  208    H    SER  27           H        SER  27   6.954  -2.848   0.322
  209    HA   SER  27           HA       SER  27   6.576  -5.414   1.563
  210   1HB   SER  27          HB2       SER  27   8.869  -3.902   0.401
  211   2HB   SER  27          HB1       SER  27   9.251  -5.244   1.475
  212    HG   SER  27           HG       SER  27   8.590  -6.585  -0.003
  213    H    HIS  28           H        HIS  28   8.357  -2.499   2.609
  214    HA   HIS  28           HA       HIS  28   9.301  -3.475   5.103
  215   1HB   HIS  28          HB2       HIS  28   8.440  -0.635   4.473
  216   2HB   HIS  28          HB1       HIS  28   9.568  -1.137   5.730
  217    HD1  HIS  28           HD1      HIS  28  11.031   0.666   4.113
  218    HD2  HIS  28           HD2      HIS  28  10.428  -3.209   2.698
  219    HE1  HIS  28           HE1      HIS  28  12.781   0.273   2.326
  220    H    LEU  29           H        LEU  29   6.205  -2.032   4.190
  221    HA   LEU  29           HA       LEU  29   5.180  -2.013   6.932
  222   1HB   LEU  29          HB2       LEU  29   4.488  -0.376   5.104
  223   2HB   LEU  29          HB1       LEU  29   3.600  -1.708   4.364
  224    HG   LEU  29           HG       LEU  29   2.703  -1.902   6.920
  225   1HD1  LEU  29          1HD1      LEU  29   2.280   0.929   6.909
  226   2HD1  LEU  29          2HD1      LEU  29   4.016   0.646   6.783
  227   3HD1  LEU  29          3HD1      LEU  29   3.106  -0.044   8.124
  228   1HD2  LEU  29          1HD2      LEU  29   0.712  -0.585   6.098
  229   2HD2  LEU  29          2HD2      LEU  29   1.256  -1.830   4.973
  230   3HD2  LEU  29          3HD2      LEU  29   1.660  -0.138   4.680
  231    H    HIS  30           H        HIS  30   5.239  -4.219   4.245
  232    HA   HIS  30           HA       HIS  30   4.476  -6.422   4.026
  233   1HB   HIS  30          HB2       HIS  30   4.742  -5.949   6.917
  234   2HB   HIS  30          HB1       HIS  30   3.510  -7.155   6.544
  235    HD1  HIS  30           HD1      HIS  30   4.318  -9.440   5.774
  236    HD2  HIS  30           HD2      HIS  30   7.353  -6.584   5.832
  237    HE1  HIS  30           HE1      HIS  30   6.478 -10.687   5.326
  238    H    LYS  31           H        LYS  31   2.704  -4.020   3.815
  239    HA   LYS  31           HA       LYS  31   0.137  -5.403   3.599
  240   1HB   LYS  31          HB2       LYS  31   0.768  -3.723   5.918
  241   2HB   LYS  31          HB1       LYS  31  -0.652  -3.150   5.048
  242   1HG   LYS  31          HG2       LYS  31  -0.537  -6.081   5.446
  243   2HG   LYS  31          HG1       LYS  31  -0.709  -5.137   6.925
  244   1HD   LYS  31          HD2       LYS  31  -2.927  -5.148   6.420
  245   2HD   LYS  31          HD1       LYS  31  -2.501  -3.878   5.274
  246   1HE   LYS  31          HE2       LYS  31  -2.901  -5.214   3.492
  247   2HE   LYS  31          HE1       LYS  31  -2.016  -6.563   4.204
  248   1HZ   LYS  31          HZ1       LYS  31  -4.828  -5.777   4.715
  249   2HZ   LYS  31          HZ2       LYS  31  -3.992  -6.908   5.667
  250   3HZ   LYS  31          HZ3       LYS  31  -4.266  -7.216   4.019
  251    H    CYS  32           H        CYS  32  -1.500  -3.243   3.288
  252    HA   CYS  32           HA       CYS  32  -0.364  -1.966   0.863
  253   1HB   CYS  32          HB2       CYS  32  -2.686  -3.083   0.928
  254   2HB   CYS  32          HB1       CYS  32  -3.195  -1.683   1.864
  255    H    GLN  33           H        GLN  33  -0.542   0.299   0.536
  256    HA   GLN  33           HA       GLN  33  -1.104   1.994   2.910
  257   1HB   GLN  33          HB2       GLN  33   1.380   1.572   2.825
  258   2HB   GLN  33          HB1       GLN  33   1.394   2.311   1.223
  259   1HG   GLN  33          HG2       GLN  33   0.472   4.394   2.158
  260   2HG   GLN  33          HG1       GLN  33   0.434   3.664   3.761
  261   1HE2  GLN  33          1HE2      GLN  33   2.124   5.957   2.401
  262   2HE2  GLN  33          2HE2      GLN  33   3.705   5.595   2.899
  263    H    LYS  34           H        LYS  34  -1.721   4.125   2.310
  264    HA   LYS  34           HA       LYS  34  -2.606   4.322  -0.521
  265   1HB   LYS  34          HB2       LYS  34  -4.220   5.953   0.282
  266   2HB   LYS  34          HB1       LYS  34  -4.271   4.541   1.333
  267   1HG   LYS  34          HG2       LYS  34  -2.384   6.056   2.604
  268   2HG   LYS  34          HG1       LYS  34  -3.442   7.308   1.951
  269   1HD   LYS  34          HD2       LYS  34  -4.491   6.848   3.982
  270   2HD   LYS  34          HD1       LYS  34  -5.359   5.764   2.894
  271   1HE   LYS  34          HE2       LYS  34  -3.376   4.107   3.531
  272   2HE   LYS  34          HE1       LYS  34  -3.313   5.118   4.975
  273   1HZ   LYS  34          HZ1       LYS  34  -5.818   4.766   5.056
  274   2HZ   LYS  34          HZ2       LYS  34  -4.830   3.456   5.497
  275   3HZ   LYS  34          HZ3       LYS  34  -5.562   3.493   3.964
  276    H    PHE  35           H        PHE  35  -2.209   6.278  -1.714
  277    HA   PHE  35           HA       PHE  35  -0.277   8.182  -0.544
  278   1HB   PHE  35          HB2       PHE  35   1.379   7.903  -2.187
  279   2HB   PHE  35          HB1       PHE  35   0.896   6.257  -1.803
  280    HD1  PHE  35           HD1      PHE  35  -0.114   4.833  -3.450
  281    HD2  PHE  35           HD2      PHE  35   0.544   8.998  -4.263
  282    HE1  PHE  35           HE1      PHE  35  -0.587   4.441  -5.850
  283    HE2  PHE  35           HE2      PHE  35   0.056   8.612  -6.663
  284    HZ   PHE  35           HZ       PHE  35  -0.505   6.330  -7.459
  285    H    ASN  36           H        ASN  36   0.075  10.058  -2.183
  286    HA   ASN  36           HA       ASN  36  -2.619  10.963  -3.013
  287   1HB   ASN  36          HB2       ASN  36  -0.775  12.228  -1.574
  288   2HB   ASN  36          HB1       ASN  36  -0.219  12.710  -3.173
  289   1HD2  ASN  36          1HD2      ASN  36  -2.812  13.087  -0.829
  290   2HD2  ASN  36          2HD2      ASN  36  -3.660  14.281  -1.684
  291    H    TYR  37           H        TYR  37  -3.221  11.258  -5.076
  292    HA   TYR  37           HA       TYR  37  -1.182  11.466  -7.223
  293   1HB   TYR  37          HB2       TYR  37  -1.874   9.046  -6.991
  294   2HB   TYR  37          HB1       TYR  37  -3.518   9.543  -7.393
  295    HD1  TYR  37           HD1      TYR  37  -4.062   9.050  -9.602
  296    HD2  TYR  37           HD2      TYR  37  -0.105  10.444  -8.681
  297    HE1  TYR  37           HE1      TYR  37  -3.493   9.031 -12.015
  298    HE2  TYR  37           HE2      TYR  37   0.466  10.427 -11.090
  299    HH   TYR  37           HH       TYR  37  -0.977   8.815 -13.310
  300    H    GLY  38           H        GLY  38  -2.200  12.221  -9.287
  301   1HA   GLY  38          HA2       GLY  38  -4.806  13.624  -8.890
  302   2HA   GLY  38          HA1       GLY  38  -3.415  14.505  -9.528
  303    H    GLY  39           H        GLY  39  -2.469  13.681 -11.561
  304   1HA   GLY  39          HA2       GLY  39  -3.454  11.709 -13.260
  305   2HA   GLY  39          HA1       GLY  39  -4.510  13.093 -13.543
  306    H    CYS  40           H        CYS  40  -1.040  13.097 -12.772
  307    HA   CYS  40           HA       CYS  40  -0.525  14.396 -15.418
  308   1HB   CYS  40          HB2       CYS  40   0.932  14.860 -12.794
  309   2HB   CYS  40          HB1       CYS  40   1.255  15.679 -14.323
  310    H    GLY  41           H        GLY  41  -0.428  11.517 -14.634
  311   1HA   GLY  41          HA2       GLY  41   0.958   9.788 -15.525
  312   2HA   GLY  41          HA1       GLY  41   2.287  10.942 -15.648
  313    H    GLY  42           H        GLY  42   2.587   8.368 -14.530
  314   1HA   GLY  42          HA2       GLY  42   3.994   8.885 -12.126
  315   2HA   GLY  42          HA1       GLY  42   2.407   8.253 -11.681
  316    H    ASN  43           H        ASN  43   3.848   6.462 -10.815
  317    HA   ASN  43           HA       ASN  43   5.059   4.642 -12.776
  318   1HB   ASN  43          HB2       ASN  43   4.595   4.430  -9.786
  319   2HB   ASN  43          HB1       ASN  43   5.417   3.197 -10.739
  320   1HD2  ASN  43          1HD2      ASN  43   7.538   3.485  -9.865
  321   2HD2  ASN  43          2HD2      ASN  43   8.424   4.922 -10.050
  322    H    ALA  44           H        ALA  44   4.380   2.151 -12.110
  323    HA   ALA  44           HA       ALA  44   1.572   1.935 -12.991
  324   1HB   ALA  44          HB1       ALA  44   3.183  -0.483 -12.313
  325   2HB   ALA  44          HB2       ALA  44   3.725   0.490 -13.682
  326   3HB   ALA  44          HB3       ALA  44   2.101  -0.200 -13.677
  327    H    ASN  45           H        ASN  45   3.490   1.485 -10.101
  328    HA   ASN  45           HA       ASN  45   1.613  -0.121  -8.617
  329   1HB   ASN  45          HB2       ASN  45   4.057   1.475  -8.012
  330   2HB   ASN  45          HB1       ASN  45   2.978   1.125  -6.661
  331   1HD2  ASN  45          1HD2      ASN  45   2.579  -1.174  -6.149
  332   2HD2  ASN  45          2HD2      ASN  45   3.643  -2.379  -6.692
  333    H    ASN  46           H        ASN  46  -0.450   0.720  -8.599
  334    HA   ASN  46           HA       ASN  46  -1.123   2.771  -6.742
  335   1HB   ASN  46          HB2       ASN  46  -1.994   4.482  -8.328
  336   2HB   ASN  46          HB1       ASN  46  -0.241   4.318  -8.415
  337   1HD2  ASN  46          1HD2      ASN  46  -3.222   3.924 -10.208
  338   2HD2  ASN  46          2HD2      ASN  46  -2.514   3.404 -11.661
  339    H    PHE  47           H        PHE  47  -2.922   1.860  -6.012
  340    HA   PHE  47           HA       PHE  47  -4.877   0.710  -7.978
  341   1HB   PHE  47          HB2       PHE  47  -4.627   0.004  -5.045
  342   2HB   PHE  47          HB1       PHE  47  -5.587  -0.831  -6.265
  343    HD1  PHE  47           HD1      PHE  47  -2.643  -1.005  -4.449
  344    HD2  PHE  47           HD2      PHE  47  -4.089  -1.468  -8.465
  345    HE1  PHE  47           HE1      PHE  47  -0.687  -2.437  -4.992
  346    HE2  PHE  47           HE2      PHE  47  -2.137  -2.896  -9.011
  347    HZ   PHE  47           HZ       PHE  47  -0.434  -3.378  -7.275
  348    H    LYS  48           H        LYS  48  -7.089   0.503  -6.377
  349    HA   LYS  48           HA       LYS  48  -7.844   3.348  -6.033
  350   1HB   LYS  48          HB2       LYS  48  -9.166   1.312  -7.243
  351   2HB   LYS  48          HB1       LYS  48  -9.864   1.213  -5.625
  352   1HG   LYS  48          HG2       LYS  48 -10.773   3.358  -5.739
  353   2HG   LYS  48          HG1       LYS  48  -9.618   3.892  -6.959
  354   1HD   LYS  48          HD2       LYS  48 -10.707   2.307  -8.582
  355   2HD   LYS  48          HD1       LYS  48 -11.945   1.994  -7.364
  356   1HE   LYS  48          HE2       LYS  48 -12.348   4.500  -7.288
  357   2HE   LYS  48          HE1       LYS  48 -11.309   4.631  -8.706
  358   1HZ   LYS  48          HZ1       LYS  48 -13.834   4.378  -9.025
  359   2HZ   LYS  48          HZ2       LYS  48 -13.562   2.735  -8.688
  360   3HZ   LYS  48          HZ3       LYS  48 -12.793   3.472 -10.012
  361    H    THR  49           H        THR  49  -7.675   0.313  -4.189
  362    HA   THR  49           HA       THR  49  -7.473   1.798  -1.690
  363    HB   THR  49           HB       THR  49  -9.605  -0.182  -1.361
  364    HG1  THR  49           HG1      THR  49 -10.219   2.129  -2.875
  365   1HG2  THR  49          1HG2      THR  49 -10.081   1.211   0.337
  366   2HG2  THR  49          2HG2      THR  49 -10.300   2.566  -0.768
  367   3HG2  THR  49          3HG2      THR  49  -8.693   2.183  -0.154
  368    H    ILE  50           H        ILE  50  -8.117  -0.433  -0.015
  369    HA   ILE  50           HA       ILE  50  -5.683  -1.996  -0.287
  370    HB   ILE  50           HB       ILE  50  -7.967  -2.536   1.615
  371   1HG1  ILE  50          2HG1      ILE  50  -6.051  -1.071   3.011
  372   2HG1  ILE  50          1HG1      ILE  50  -6.144  -0.233   1.462
  373   1HG2  ILE  50          1HG2      ILE  50  -5.619  -3.906   1.150
  374   2HG2  ILE  50          2HG2      ILE  50  -6.533  -3.951   2.656
  375   3HG2  ILE  50          3HG2      ILE  50  -5.172  -2.844   2.484
  376   1HD1  ILE  50          1HD1      ILE  50  -7.877   0.825   2.561
  377   2HD1  ILE  50          2HD1      ILE  50  -8.242  -0.582   3.560
  378   3HD1  ILE  50          3HD1      ILE  50  -8.764  -0.535   1.877
  379    H    ASP  51           H        ASP  51  -9.018  -2.435  -1.226
  380    HA   ASP  51           HA       ASP  51  -9.135  -5.285  -1.296
  381   1HB   ASP  51          HB2       ASP  51 -10.516  -3.305  -3.135
  382   2HB   ASP  51          HB1       ASP  51 -10.993  -4.983  -2.872
  383    H    GLU  52           H        GLU  52  -8.826  -3.189  -4.181
  384    HA   GLU  52           HA       GLU  52  -7.814  -5.245  -5.889
  385   1HB   GLU  52          HB2       GLU  52  -8.658  -2.695  -6.295
  386   2HB   GLU  52          HB1       GLU  52  -6.915  -2.456  -6.404
  387   1HG   GLU  52          HG2       GLU  52  -6.719  -4.079  -8.168
  388   2HG   GLU  52          HG1       GLU  52  -8.388  -4.605  -7.946
  389    H    CYS  53           H        CYS  53  -6.265  -3.058  -3.640
  390    HA   CYS  53           HA       CYS  53  -3.538  -3.477  -4.500
  391   1HB   CYS  53          HB2       CYS  53  -4.108  -1.485  -3.275
  392   2HB   CYS  53          HB1       CYS  53  -4.809  -2.425  -1.970
  393    H    GLN  54           H        GLN  54  -5.674  -5.058  -2.178
  394    HA   GLN  54           HA       GLN  54  -3.602  -6.617  -0.892
  395   1HB   GLN  54          HB2       GLN  54  -5.784  -6.122   0.176
  396   2HB   GLN  54          HB1       GLN  54  -6.590  -7.117  -1.035
  397   1HG   GLN  54          HG2       GLN  54  -4.683  -8.851  -0.139
  398   2HG   GLN  54          HG1       GLN  54  -4.992  -7.918   1.325
  399   1HE2  GLN  54          1HE2      GLN  54  -7.211  -8.986  -1.325
  400   2HE2  GLN  54          2HE2      GLN  54  -8.302  -9.770  -0.287
  401    H    ARG  55           H        ARG  55  -6.276  -7.739  -2.973
  402    HA   ARG  55           HA       ARG  55  -5.337 -10.322  -3.488
  403   1HB   ARG  55          HB2       ARG  55  -7.572  -9.187  -4.129
  404   2HB   ARG  55          HB1       ARG  55  -6.741  -8.727  -5.616
  405   1HG   ARG  55          HG2       ARG  55  -6.322 -11.010  -6.200
  406   2HG   ARG  55          HG1       ARG  55  -6.810 -11.576  -4.601
  407   1HD   ARG  55          HD2       ARG  55  -8.728 -10.071  -6.375
  408   2HD   ARG  55          HD1       ARG  55  -8.525 -11.816  -6.521
  409    HE   ARG  55           HE       ARG  55  -8.986 -11.089  -3.773
  410   1HH1  ARG  55          1HH1      ARG  55 -10.231 -13.236  -5.718
  411   2HH1  ARG  55          2HH1      ARG  55 -11.901 -12.806  -5.575
  412   1HH2  ARG  55          1HH2      ARG  55 -11.268  -9.759  -4.056
  413   2HH2  ARG  55          2HH2      ARG  55 -12.488 -10.843  -4.637
  414    H    THR  56           H        THR  56  -4.291  -7.320  -5.060
  415    HA   THR  56           HA       THR  56  -2.973  -8.697  -7.254
  416    HB   THR  56           HB       THR  56  -3.783  -6.392  -7.514
  417    HG1  THR  56           HG1      THR  56  -0.960  -6.534  -7.669
  418   1HG2  THR  56          1HG2      THR  56  -2.884  -4.556  -6.353
  419   2HG2  THR  56          2HG2      THR  56  -1.477  -5.472  -5.813
  420   3HG2  THR  56          3HG2      THR  56  -3.059  -5.783  -5.105
  421    H    CYS  57           H        CYS  57  -1.664  -7.077  -4.302
  422    HA   CYS  57           HA       CYS  57   1.005  -8.186  -4.962
  423   1HB   CYS  57          HB2       CYS  57   0.595  -5.780  -4.142
  424   2HB   CYS  57          HB1       CYS  57   0.365  -6.497  -2.547
  425    H    ALA  58           H        ALA  58  -1.600  -8.729  -2.668
  426    HA   ALA  58           HA       ALA  58  -0.295 -10.064  -0.569
  427   1HB   ALA  58          HB1       ALA  58  -2.651  -9.707  -0.385
  428   2HB   ALA  58          HB2       ALA  58  -2.422 -11.457  -0.408
  429   3HB   ALA  58          HB3       ALA  58  -2.973 -10.622  -1.860
  430    H    ALA  59           H        ALA  59   0.981 -11.821  -0.506
  431    HA   ALA  59           HA       ALA  59   0.674 -13.902  -2.636
  432   1HB   ALA  59          HB1       ALA  59   3.320 -13.371  -1.322
  433   2HB   ALA  59          HB2       ALA  59   2.785 -12.329  -2.641
  434   3HB   ALA  59          HB3       ALA  59   2.982 -14.061  -2.910
  435    H    LYS  60           H        LYS  60   1.684 -13.227   0.713
  436    HA   LYS  60           HA       LYS  60   2.105 -15.932   1.528
  437   1HB   LYS  60          HB2       LYS  60   2.722 -13.788   2.796
  438   2HB   LYS  60          HB1       LYS  60   1.039 -13.750   3.328
  439   1HG   LYS  60          HG2       LYS  60   1.314 -15.507   4.750
  440   2HG   LYS  60          HG1       LYS  60   2.365 -16.376   3.633
  441   1HD   LYS  60          HD2       LYS  60   3.708 -13.986   4.554
  442   2HD   LYS  60          HD1       LYS  60   3.128 -14.908   5.940
  443   1HE   LYS  60          HE2       LYS  60   4.383 -16.806   5.370
  444   2HE   LYS  60          HE1       LYS  60   4.550 -16.307   3.686
  445   1HZ   LYS  60          HZ1       LYS  60   5.975 -14.496   4.397
  446   2HZ   LYS  60          HZ2       LYS  60   6.605 -15.985   4.918
  447   3HZ   LYS  60          HZ3       LYS  60   5.807 -14.965   6.019
  448    H    TYR  61           H        TYR  61  -0.790 -13.904   1.413
  449    HA   TYR  61           HA       TYR  61  -3.061 -14.406   1.677
  450   1HB   TYR  61          HB2       TYR  61  -1.865 -16.934   0.592
  451   2HB   TYR  61          HB1       TYR  61  -3.546 -16.950   1.128
  452    HD1  TYR  61           HD1      TYR  61  -1.411 -16.274  -1.607
  453    HD2  TYR  61           HD2      TYR  61  -4.995 -14.880   0.309
  454    HE1  TYR  61           HE1      TYR  61  -2.103 -15.158  -3.712
  455    HE2  TYR  61           HE2      TYR  61  -5.686 -13.765  -1.796
  456    HH   TYR  61           HH       TYR  61  -4.711 -14.432  -4.636
  457    H    GLY  62           H        GLY  62  -4.586 -16.097   2.883
  458   1HA   GLY  62          HA2       GLY  62  -3.268 -16.817   5.476
  459   2HA   GLY  62          HA1       GLY  62  -4.873 -16.090   5.402
  460    H    ARG  63           H        ARG  63  -6.155 -17.702   6.169
  461    HA   ARG  63           HA       ARG  63  -7.377 -19.697   6.185
  462   1HB   ARG  63          HB2       ARG  63  -7.172 -19.093   3.569
  463   2HB   ARG  63          HB1       ARG  63  -6.259 -20.602   3.578
  464   1HG   ARG  63          HG2       ARG  63  -8.094 -21.873   4.128
  465   2HG   ARG  63          HG1       ARG  63  -8.839 -20.578   5.067
  466   1HD   ARG  63          HD2       ARG  63  -9.113 -19.382   2.770
  467   2HD   ARG  63          HD1       ARG  63  -8.850 -20.985   2.082
  468    HE   ARG  63           HE       ARG  63 -10.960 -21.666   2.958
  469   1HH1  ARG  63          1HH2      ARG  63 -11.510 -18.682   2.341
  470   2HH1  ARG  63          2HH2      ARG  63 -12.377 -18.227   3.770
  471   1HH2  ARG  63          1HH1      ARG  63 -11.427 -21.039   5.562
  472   2HH2  ARG  63          2HH1      ARG  63 -12.325 -19.557   5.596
  473    H    SER  64           H        SER  64  -7.060 -21.950   6.627
  474    HA   SER  64           HA       SER  64  -4.556 -22.649   7.778
  475   1HB   SER  64          HB2       SER  64  -5.530 -25.023   7.701
  476   2HB   SER  64          HB1       SER  64  -6.481 -23.813   8.557
  477    HG   SER  64           HG       SER  64  -6.831 -24.650   5.863
  478    H    SER  65           H        SER  65  -3.038 -24.313   7.082
  479    HA   SER  65           HA       SER  65  -2.512 -24.201   4.176
  480   1HB   SER  65          HB2       SER  65  -0.347 -25.226   4.782
  481   2HB   SER  65          HB1       SER  65  -0.660 -23.798   5.761
  482    HG   SER  65           HG       SER  65  -0.649 -26.502   6.455