*HEADER    HYDROLASE                               29-JUL-05   2AIH              
*TITLE     1H-NMR SOLUTION STRUCTURE OF A TRYPSIN/CHYMOTRYPSIN BOWMAN-           
*TITLE    2 BIRK INHIBITOR FROM LENS CULINARIS.                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BOWMAN-BIRK TYPE PROTEASE INHIBITOR, LCTI;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 43-109;                                           
*COMPND   5 SYNONYM: TRYPSIN/CHYMOTRYPSIN INHIBITOR                              
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: LENS CULINARIS;                                 
*SOURCE   3 ORGANISM_COMMON: LENTIL;                                             
*SOURCE   4 STRAIN: MACROSPERMA GROUP;                                           
*SOURCE   5 TISSUE: SEEDS                                                        
*KEYWDS    TRYPSIN/CHYMOTRYPSIN BOWMAN-BIRK INHIBITOR, TWO-STRANDS               
*KEYWDS   2 BETA-SHEET                                                           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    E.M.RAGG, V.GALBUSERA, A.SCARAFONI, A.NEGRI, G.TEDESCHI,              
*AUTHOR   2 A.CONSONNI, F.SESSA, M.DURANTI                                       
*REVDAT   1   01-AUG-06 2AIH    0                                                
** dihedral restraints **
assign (residue 3 and name C ) (residue 4 and name N) (residue 4 and name CA) (residue 4 and name C) 10.0 -90.0 90.0 2
assign (residue 4 and name C ) (residue 5 and name N) (residue 5 and name CA) (residue 5 and name C) 10.0 -90.0 90.0 2
assign (residue 6 and name C ) (residue 7 and name N) (residue 7 and name CA) (residue 7 and name C) 10.0 -90.0 90.0 2
assign (residue 7 and name C ) (residue 8 and name N) (residue 8 and name CA) (residue 8 and name C) 10.0 -90.0 90.0 2
assign (residue 8 and name C ) (residue 9 and name N) (residue 9 and name CA) (residue 9 and name C) 10.0 -90.0 90.0 2
assign (residue 14 and name C ) (residue 15 and name N) (residue 15 and name CA) (residue 15 and name C) 10.0 -90.0 90.0 2
assign (residue 16 and name C ) (residue 17 and name N) (residue 17 and name CA) (residue 17 and name C) 10.0 -90.0 90.0 2
assign (residue 23 and name C ) (residue 24 and name N) (residue 24 and name CA) (residue 24 and name C) 10.0 -90.0 90.0 2
assign (residue 26 and name C ) (residue 27 and name N) (residue 27 and name CA) (residue 27 and name C) 10.0 -90.0 90.0 2
assign (residue 27 and name C ) (residue 28 and name N) (residue 28 and name CA) (residue 28 and name C) 10.0 -90.0 90.0 2
assign (residue 30 and name C ) (residue 31 and name N) (residue 31 and name CA) (residue 31 and name C) 10.0 -90.0 90.0 2
assign (residue 31 and name C ) (residue 32 and name N) (residue 32 and name CA) (residue 32 and name C) 10.0 -90.0 90.0 2
assign (residue 32 and name C ) (residue 33 and name N) (residue 33 and name CA) (residue 33 and name C) 10.0 -90.0 90.0 2
assign (residue 33 and name C ) (residue 34 and name N) (residue 34 and name CA) (residue 34 and name C) 10.0 -90.0 90.0 2
assign (residue 34 and name C ) (residue 35 and name N) (residue 35 and name CA) (residue 35 and name C) 10.0 -90.0 90.0 2
assign (residue 36 and name C ) (residue 37 and name N) (residue 37 and name CA) (residue 37 and name C) 10.0 -90.0 90.0 2
assign (residue 42 and name C ) (residue 43 and name N) (residue 43 and name CA) (residue 43 and name C) 10.0 -90.0 90.0 2
assign (residue 52 and name C ) (residue 53 and name N) (residue 53 and name CA) (residue 53 and name C) 10.0 -90.0 90.0 2
assign (residue 54 and name C ) (residue 55 and name N) (residue 55 and name CA) (residue 55 and name C) 10.0 -90.0 90.0 2
assign (residue 55 and name C ) (residue 56 and name N) (residue 56 and name CA) (residue 56 and name C) 10.0 -90.0 90.0 2
assign (residue 56 and name C ) (residue 57 and name N) (residue 57 and name CA) (residue 57 and name C) 10.0 -90.0 90.0 2
assign (residue 57 and name C ) (residue 58 and name N) (residue 58 and name CA) (residue 58 and name C) 10.0 -90.0 90.0 2
assign (residue 59 and name C ) (residue 60 and name N) (residue 60 and name CA) (residue 60 and name C) 10.0 -90.0 90.0 2
assign (residue 60 and name C ) (residue 61 and name N) (residue 61 and name CA) (residue 61 and name C) 10.0 -90.0 90.0 2
assign (residue 61 and name C ) (residue 62 and name N) (residue 62 and name CA) (residue 62 and name C) 10.0 -90.0 90.0 2
assign (residue 63 and name C ) (residue 64 and name N) (residue 64 and name CA) (residue 64 and name C) 10.0 -90.0 90.0 2


** vicinal coupling constants J(Nalpha) **
assign (resid   21 and name c ) (resid   22 and name n )
       (resid   22 and name ca) (resid   22 and name c )      8.57 0.5
assign (resid   13 and name c ) (resid   14 and name n )
       (resid   14 and name ca) (resid   14 and name c )      8.50 0.5
assign (resid   53 and name c ) (resid   54 and name n )
       (resid   54 and name ca) (resid   54 and name c )      8.62 0.5
assign (resid   43 and name c ) (resid   44 and name n )
       (resid   44 and name ca) (resid   44 and name c )      8.19 0.5
assign (resid   39 and name c ) (resid   40 and name n )
       (resid   40 and name ca) (resid   40 and name c )      8.28 0.5
assign (resid   41 and name c ) (resid   42 and name n )
       (resid   42 and name ca) (resid   42 and name c )      7.39 0.5
assign (resid   37 and name c ) (resid   38 and name n )
       (resid   38 and name ca) (resid   38 and name c )      7.74 0.5
assign (resid   12 and name c ) (resid   13 and name n )
       (resid   13 and name ca) (resid   13 and name c )      7.41 0.5
assign (resid   17 and name c ) (resid   18 and name n )
       (resid   18 and name ca) (resid   18 and name c )      7.34 0.5
assign (resid   65 and name c ) (resid   66 and name n )
       (resid   66 and name ca) (resid   66 and name c )      7.15 0.5
assign (resid   11 and name c ) (resid   12 and name n )
       (resid   12 and name ca) (resid   12 and name c )      7.11 0.5
assign (resid   15 and name c ) (resid   16 and name n )
       (resid   16 and name ca) (resid   16 and name c )      7.09 0.5
assign (resid    1 and name c ) (resid   2 and name n )
       (resid    2 and name ca) (resid   2 and name c )      7.01 0.5
assign (resid   47 and name c ) (resid   48 and name n )
       (resid   48 and name ca) (resid   48 and name c )      6.89 0.5
assign (resid   8 and name c ) (resid   9 and name n )
       (resid   9 and name ca) (resid   9 and name c )      6.87 0.5
assign (resid   20 and name c ) (resid   21 and name n )
       (resid   21 and name ca) (resid   21 and name c )      6.86 0.5
assign (resid   10 and name c ) (resid   11 and name n )
       (resid   11 and name ca) (resid   11 and name c )      6.92 0.5
assign (resid   29 and name c ) (resid   30 and name n )
       (resid   30 and name ca) (resid   30 and name c )      6.14 0.5
assign (resid   58 and name c ) (resid   59 and name n )
       (resid   59 and name ca) (resid   59 and name c )      2.90 0.5
assign (resid   50 and name c ) (resid   51 and name n )
       (resid   51 and name ca) (resid   51 and name c )      3.00 0.5
assign (resid   28 and name c ) (resid   29 and name n )
       (resid   29 and name ca) (resid   29 and name c )      3.12 0.5
assign (resid   64 and name c ) (resid   65 and name n )
       (resid   65 and name ca) (resid   65 and name c )      3.63 0.5
assign (resid   5 and name c ) (resid   6 and name n )
       (resid   6 and name ca) (resid   6 and name c )      3.85 0.5
assign (resid   42 and name c ) (resid   43 and name n )
       (resid   43 and name ca) (resid   43 and name c )      4.17 0.5
assign (resid   24 and name c ) (resid   25 and name n )
       (resid   25 and name ca) (resid   25 and name c )      4.25 0.5
assign (resid   62 and name c ) (resid   63 and name n )
       (resid   63 and name ca) (resid   63 and name c )      4.57 0.5
assign (resid   16 and name c ) (resid   17 and name n )
       (resid   17 and name ca) (resid   17 and name c )      4.51 0.5
assign (resid   22 and name c ) (resid   23 and name n )
       (resid   23 and name ca) (resid   23 and name c )      4.72 0.5
assign (resid   40 and name c ) (resid   41 and name n )
       (resid   41 and name ca) (resid   41 and name c )      4.98 0.5


** distance restraints for hydrogen bonds **

assign (residue 51 and name HN) (residue 37 and name O) 2.0 0.2	0.2
assign (residue 51 and name N) (residue 37 and name O) 3.0 0.2	0.2
assign (residue 39 and name HN) (residue 49 and name O) 2.0 0.2	0.2
assign (residue 39 and name N) (residue 49 and name O) 3.0 0.2	0.2
assign (residue 49 and name HN) (residue 39 and name O) 2.0 0.2	0.2
assign (residue 49 and name N) (residue 39 and name O) 3.0 0.2	0.2
assign (residue 47 and name HN) (residue 41 and name O) 2.0 0.2	0.2
assign (residue 47 and name N) (residue 41 and name O) 3.0 0.2	0.2
assign (residue 13 and name HN) (residue 23 and name O) 2.0 0.2	0.2
assign (residue 13 and name N) (residue 23 and name O) 3.0 0.2	0.2
assign (residue 23 and name HN) (residue 13 and name O) 2.0 0.2	0.2
assign (residue 23 and name N) (residue 13 and name O) 3.0 0.2	0.2
assign (residue 25 and name HN) (residue 11 and name O) 2.0 0.2	0.2
assign (residue 25 and name N) (residue 11 and name O) 3.0 0.2	0.2
assign (residue 28 and name HN) (residue 48 and name O) 2.0 0.2	0.2
assign (residue 28 and name N) (residue 48 and name O) 3.0 0.2	0.2


** distance restraints from cross-peak volumes at 80 ms **
assign (residue 10 and name HA	)	 (residue 10 and name HB1	)	2.94	0.50	0.50
assign (residue 10 and name HA	)	 (residue 10 and name HB2	)	2.92	0.50	0.50
assign (residue 10 and name HA	)	 (residue 11 and name HN	)	3.56	0.50	1.00
assign (residue 10 and name HA	)	 (residue 61 and name HN	)	3.57	0.50	1.00
assign (residue 10 and name HB1	)	 (residue 10 and name HN	)	2.90	0.50	0.50
assign (residue 10 and name HB1	)	 (residue 11 and name HN	)	3.06	0.50	1.00
assign (residue 10 and name HB2	)	 (residue 11 and name HN	)	3.48	0.50	1.00
assign (residue 10 and name HN	)	 (residue 11 and name HN	)	3.06	0.50	1.00
assign (residue 11 and name HA	)	 (residue 11 and name HN	)	3.19	0.50	1.00
assign (residue 11 and name HA	)	 (residue 12 and name HN	)	2.29	0.50	0.50
assign (residue 11 and name HB	)	 (residue 11 and name HN	)	3.00	0.50	1.00
assign (residue 11 and name HB	)	 (residue 25 and name HN	)	3.38	0.50	1.00
assign (residue 11 and name HG2#	)	 (residue 11 and name HN	)	3.77	0.50	1.00
assign (residue 11 and name HG2#	)	 (residue 12 and name HN	)	3.04	0.50	1.00
assign (residue 11 and name HG2#	)	 (residue 25 and name HG2#	)	2.37	0.50	0.50
assign (residue 11 and name HG2#	)	 (residue 25 and name HN	)	3.19	0.50	1.00
assign (residue 11 and name HN	)	 (residue 10 and name HB1	)	3.47	0.50	1.00
assign (residue 11 and name HN	)	 (residue 10 and name HB2	)	3.32	0.50	1.00
assign (residue 11 and name HN	)	 (residue 10 and name HN	)	3.62	0.50	1.00
assign (residue 11 and name HN	)	 (residue 11 and name HG2#	)	3.55	0.50	1.00
assign (residue 12 and name HA	)	 (residue 12 and name HB1	)	3.15	0.50	1.00
assign (residue 12 and name HA	)	 (residue 12 and name HB2	)	3.31	0.50	1.00
assign (residue 12 and name HA	)	 (residue 12 and name HN	)	3.14	0.50	1.00
assign (residue 12 and name HA	)	 (residue 13 and name HN	)	2.56	0.50	0.50
assign (residue 12 and name HA	)	 (residue 25 and name HN	)	3.20	0.50	1.00
assign (residue 12 and name HB1	)	 (residue 12 and name HN	)	2.95	0.50	1.00
assign (residue 12 and name HB2	)	 (residue 12 and name HN	)	2.52	0.50	0.50
assign (residue 12 and name HN	)	 (residue 11 and name HG2#	)	3.17	0.50	1.00
assign (residue 12 and name HN	)	 (residue 12 and name HB1	)	3.37	0.50	1.00
assign (residue 12 and name HN	)	 (residue 12 and name HB2	)	3.17	0.50	1.00
assign (residue 13 and name HA	)	 (residue 13 and name HN	)	3.55	0.50	1.00
assign (residue 13 and name HA	)	 (residue 14 and name HN	)	2.46	0.50	0.50
assign (residue 13 and name HB1	)	 (residue 13 and name HD1#	)	3.01	0.50	1.00
assign (residue 13 and name HB1	)	 (residue 13 and name HN	)	2.82	0.50	0.50
assign (residue 13 and name HB1	)	 (residue 25 and name HG1#	)	2.89	0.50	0.50
assign (residue 13 and name HB1	)	 (residue 25 and name HN	)	3.62	0.50	1.00
assign (residue 13 and name HB2	)	 (residue 13 and name HD1#	)	2.40	0.50	0.50
assign (residue 13 and name HB2	)	 (residue 13 and name HD2#	)	3.17	0.50	1.00
assign (residue 13 and name HB2	)	 (residue 13 and name HN	)	3.04	0.50	1.00
assign (residue 13 and name HB2	)	 (residue 14 and name HN	)	3.09	0.50	1.00
assign (residue 13 and name HB2	)	 (residue 25 and name HG1#	)	2.94	0.50	0.50
assign (residue 13 and name HD1#	)	 (residue 14 and name HN	)	3.93	0.50	1.00
assign (residue 13 and name HN	)	 (residue 13 and name HB2	)	3.10	0.50	1.00
assign (residue 13 and name HN	)	 (residue 25 and name HG1#	)	3.32	0.50	1.00
assign (residue 14 and name HA	)	 (residue 14 and name HB2	)	3.20	0.50	1.00
assign (residue 14 and name HA	)	 (residue 14 and name HN	)	3.01	0.50	1.00
assign (residue 14 and name HA	)	 (residue 15 and name HN	)	2.72	0.50	0.50
assign (residue 14 and name HA	)	 (residue 22 and name HA	)	3.34	0.50	1.00
assign (residue 14 and name HB1	)	 (residue 15 and name HN	)	3.17	0.50	1.00
assign (residue 14 and name HB2	)	 (residue 14 and name HA	)	3.91	0.50	1.00
assign (residue 14 and name HB2	)	 (residue 14 and name HN	)	3.82	0.50	1.00
assign (residue 14 and name HB2	)	 (residue 15 and name HN	)	3.89	0.50	1.00
assign (residue 14 and name HN	)	 (residue 13 and name HB2	)	3.14	0.50	1.00
assign (residue 14 and name HN	)	 (residue 14 and name HB1	)	3.85	0.50	1.00
assign (residue 14 and name HN	)	 (residue 14 and name HB2	)	3.06	0.50	1.00
assign (residue 15 and name HA	)	 (residue 15 and name HG2#	)	2.69	0.50	0.50
assign (residue 15 and name HB	)	 (residue 15 and name HG2#	)	2.89	0.50	0.50
assign (residue 15 and name HB	)	 (residue 15 and name HN	)	3.22	0.50	1.00
assign (residue 15 and name HB	)	 (residue 16 and name HN	)	2.72	0.50	0.50
assign (residue 15 and name HG2#	)	 (residue 15 and name HN	)	3.09	0.50	1.00
assign (residue 15 and name HG2#	)	 (residue 16 and name HN	)	3.81	0.50	1.00
assign (residue 15 and name HN	)	 (residue 14 and name HB2	)	3.65	0.50	1.00
assign (residue 15 and name HN	)	 (residue 15 and name HG2#	)	3.21	0.50	1.00
assign (residue 15 and name HN	)	 (residue 21 and name HN	)	3.73	0.50	1.00
assign (residue 16 and name HA	)	 (residue 16 and name HN	)	3.10	0.50	1.00
assign (residue 16 and name HA	)	 (residue 17 and name HN	)	3.17	0.50	1.00
assign (residue 16 and name HB1	)	 (residue 16 and name HG2	)	2.53	0.50	0.50
assign (residue 16 and name HB1	)	 (residue 16 and name HN	)	3.33	0.50	1.00
assign (residue 16 and name HG2	)	 (residue 16 and name HN	)	3.78	0.50	1.00
assign (residue 16 and name HN	)	 (residue 15 and name HG2#	)	3.14	0.50	1.00
assign (residue 16 and name HN	)	 (residue 16 and name HB1	)	3.65	0.50	1.00
assign (residue 16 and name HN	)	 (residue 16 and name HG2	)	3.40	0.50	1.00
assign (residue 16 and name HN	)	 (residue 17 and name HN	)	3.35	0.50	1.00
assign (residue 17 and name HA	)	 (residue 17 and name HB1	)	3.08	0.50	1.00
assign (residue 17 and name HA	)	 (residue 17 and name HN	)	3.23	0.50	1.00
assign (residue 17 and name HA	)	 (residue 18 and name HN	)	2.67	0.50	0.50
assign (residue 17 and name HB1	)	 (residue 18 and name HN	)	3.30	0.50	1.00
assign (residue 17 and name HB2	)	 (residue 17 and name HN	)	3.62	0.50	1.00
assign (residue 17 and name HB2	)	 (residue 18 and name HN	)	3.32	0.50	1.00
assign (residue 17 and name HN	)	 (residue 16 and name HN	)	3.20	0.50	1.00
assign (residue 18 and name HA	)	 (residue 18 and name HN	)	3.21	0.50	1.00
assign (residue 18 and name HB1	)	 (residue 18 and name HN	)	3.52	0.50	1.00
assign (residue 18 and name HB2	)	 (residue 18 and name HN	)	3.09	0.50	1.00
assign (residue 18 and name HE21	)	 (residue 18 and name HE22	)	2.46	0.50	0.50
assign (residue 18 and name HE22	)	 (residue 18 and name HE21	)	2.35	0.50	0.50
assign (residue 18 and name HG#	)	 (residue 18 and name HN	)	3.88	0.50	1.00
assign (residue 18 and name HN	)	 (residue 18 and name HB2	)	2.99	0.50	1.00
assign (residue 19 and name HA	)	 (residue 19 and name HN	)	2.91	0.50	0.50
assign (residue 2 and name HA	)	 (residue 3 and name HN	)	2.72	0.50	0.50
assign (residue 2 and name HB1	)	 (residue 2 and name HN	)	3.73	0.50	1.00
assign (residue 20 and name HA	)	 (residue 17 and name HN	)	3.94	0.50	1.00
assign (residue 20 and name HA	)	 (residue 20 and name HB1	)	3.02	0.50	1.00
assign (residue 20 and name HA	)	 (residue 21 and name HN	)	2.76	0.50	0.50
assign (residue 20 and name HB1	)	 (residue 21 and name HN	)	3.62	0.50	1.00
assign (residue 21 and name HA	)	 (residue 22 and name HN	)	2.63	0.50	0.50
assign (residue 21 and name HB	)	 (residue 21 and name HN	)	3.32	0.50	1.00
assign (residue 21 and name HB	)	 (residue 22 and name HN	)	3.89	0.50	1.00
assign (residue 21 and name HG2#	)	 (residue 15 and name HN	)	3.47	0.50	1.00
assign (residue 21 and name HG2#	)	 (residue 21 and name HN	)	3.52	0.50	1.00
assign (residue 21 and name HG2#	)	 (residue 22 and name HN	)	3.40	0.50	1.00
assign (residue 21 and name HG2#	)	 (residue 54 and name HN	)	3.67	0.50	1.00
assign (residue 21 and name HN	)	 (residue 15 and name HG2#	)	3.81	0.50	1.00
assign (residue 21 and name HN	)	 (residue 15 and name HN	)	3.79	0.50	1.00
assign (residue 21 and name HN	)	 (residue 20 and name HG#	)	3.71	0.50	1.00
assign (residue 21 and name HN	)	 (residue 21 and name HG2#	)	3.90	0.50	1.00
assign (residue 22 and name HA	)	 (residue 14 and name HA	)	3.39	0.50	1.00
assign (residue 22 and name HA	)	 (residue 15 and name HN	)	3.10	0.50	1.00
assign (residue 22 and name HA	)	 (residue 22 and name HB1	)	3.74	0.50	1.00
assign (residue 22 and name HA	)	 (residue 22 and name HB2	)	3.43	0.50	1.00
assign (residue 22 and name HA	)	 (residue 23 and name HN	)	2.57	0.50	0.50
assign (residue 22 and name HB1	)	 (residue 22 and name HN	)	3.09	0.50	1.00
assign (residue 22 and name HB2	)	 (residue 22 and name HN	)	3.75	0.50	1.00
assign (residue 22 and name HB2	)	 (residue 23 and name HN	)	2.87	0.50	0.50
assign (residue 22 and name HN	)	 (residue 21 and name HG2#	)	3.58	0.50	1.00
assign (residue 22 and name HN	)	 (residue 22 and name HB1	)	3.64	0.50	1.00
assign (residue 22 and name HN	)	 (residue 22 and name HB2	)	3.40	0.50	1.00
assign (residue 22 and name HN	)	 (residue 54 and name HN	)	3.55	0.50	1.00
assign (residue 23 and name HA	)	 (residue 23 and name HB1	)	2.87	0.50	0.50
assign (residue 23 and name HA	)	 (residue 23 and name HN	)	2.95	0.50	1.00
assign (residue 23 and name HA	)	 (residue 24 and name HN	)	2.49	0.50	0.50
assign (residue 23 and name HB1	)	 (residue 23 and name HN	)	3.55	0.50	1.00
assign (residue 23 and name HB1	)	 (residue 24 and name HN	)	3.39	0.50	1.00
assign (residue 23 and name HD#	)	 (residue 23 and name HH1#	)	2.66	0.50	0.50
assign (residue 23 and name HD#	)	 (residue 23 and name HH2#	)	2.95	0.50	0.50
assign (residue 23 and name HG2	)	 (residue 23 and name HH1#	)	3.53	0.50	1.00
assign (residue 23 and name HG2	)	 (residue 23 and name HN	)	3.26	0.50	1.00
assign (residue 23 and name HG2	)	 (residue 24 and name HN	)	3.59	0.50	1.00
assign (residue 23 and name HH1#	)	 (residue 23 and name HB1	)	3.52	0.50	1.00
assign (residue 23 and name HH1#	)	 (residue 23 and name HD#	)	2.93	0.50	0.50
assign (residue 23 and name HH2#	)	 (residue 23 and name HD#	)	2.76	0.50	0.50
assign (residue 23 and name HH2#	)	 (residue 25 and name HG1#	)	3.09	0.50	1.00
assign (residue 23 and name HN	)	 (residue 13 and name HN	)	2.45	0.50	0.50
assign (residue 23 and name HN	)	 (residue 22 and name HB2	)	3.05	0.50	1.00
assign (residue 24 and name HA	)	 (residue 13 and name HN	)	3.14	0.50	1.00
assign (residue 24 and name HA	)	 (residue 24 and name HN	)	3.18	0.50	1.00
assign (residue 24 and name HA	)	 (residue 25 and name HN	)	2.53	0.50	0.50
assign (residue 24 and name HA	)	 (residue 26 and name HN	)	3.66	0.50	1.00
assign (residue 24 and name HB#	)	 (residue 24 and name HN	)	2.74	0.50	0.50
assign (residue 24 and name HN	)	 (residue 23 and name HB1	)	3.63	0.50	1.00
assign (residue 24 and name HN	)	 (residue 23 and name HG2	)	3.84	0.50	1.00
assign (residue 24 and name HN	)	 (residue 24 and name HB#	)	3.16	0.50	1.00
assign (residue 25 and name HA	)	 (residue 25 and name HN	)	2.82	0.50	0.50
assign (residue 25 and name HA	)	 (residue 26 and name HN	)	3.30	0.50	1.00
assign (residue 25 and name HB	)	 (residue 25 and name HN	)	3.81	0.50	1.00
assign (residue 25 and name HG1#	)	 (residue 13 and name HN	)	2.98	0.50	1.00
assign (residue 25 and name HG1#	)	 (residue 23 and name HH2#	)	3.50	0.50	1.00
assign (residue 25 and name HG1#	)	 (residue 25 and name HN	)	2.61	0.50	0.50
assign (residue 25 and name HG2#	)	 (residue 25 and name HN	)	2.72	0.50	0.50
assign (residue 25 and name HG2#	)	 (residue 26 and name HN	)	3.54	0.50	1.00
assign (residue 25 and name HN	)	 (residue 25 and name HB	)	3.44	0.50	1.00
assign (residue 25 and name HN	)	 (residue 26 and name HN	)	2.83	0.50	0.50
assign (residue 26 and name HA	)	 (residue 26 and name HN	)	3.07	0.50	1.00
assign (residue 26 and name HA	)	 (residue 27 and name HN	)	2.73	0.50	0.50
assign (residue 26 and name HB#	)	 (residue 27 and name HN	)	2.89	0.50	0.50
assign (residue 26 and name HN	)	 (residue 25 and name HG2#	)	3.32	0.50	1.00
assign (residue 26 and name HN	)	 (residue 25 and name HN	)	2.80	0.50	0.50
assign (residue 26 and name HN	)	 (residue 26 and name HB#	)	3.00	0.50	1.00
assign (residue 27 and name HA	)	 (residue 27 and name HN	)	3.53	0.50	1.00
assign (residue 27 and name HA	)	 (residue 28 and name HN	)	2.32	0.50	0.50
assign (residue 27 and name HA	)	 (residue 48 and name HN	)	3.33	0.50	1.00
assign (residue 27 and name HG1#	)	 (residue 27 and name HN	)	2.74	0.50	0.50
assign (residue 27 and name HG1#	)	 (residue 28 and name HN	)	2.98	0.50	1.00
assign (residue 27 and name HG1#	)	 (residue 48 and name HN	)	3.47	0.50	1.00
assign (residue 27 and name HG2#	)	 (residue 28 and name HN	)	2.92	0.50	0.50
assign (residue 27 and name HG2#	)	 (residue 48 and name HN	)	3.09	0.50	1.00
assign (residue 27 and name HN	)	 (residue 26 and name HB#	)	3.20	0.50	1.00
assign (residue 27 and name HN	)	 (residue 27 and name HG1#	)	2.78	0.50	0.50
assign (residue 28 and name HA	)	 (residue 28 and name HN	)	3.18	0.50	1.00
assign (residue 28 and name HA	)	 (residue 29 and name HN	)	2.70	0.50	0.50
assign (residue 28 and name HB1	)	 (residue 28 and name HH1#	)	3.47	0.50	1.00
assign (residue 28 and name HB1	)	 (residue 28 and name HN	)	3.17	0.50	1.00
assign (residue 28 and name HB2	)	 (residue 28 and name HH1#	)	3.90	0.50	1.00
assign (residue 28 and name HB2	)	 (residue 28 and name HN	)	2.93	0.50	0.50
assign (residue 28 and name HD2	)	 (residue 28 and name HH1#	)	2.77	0.50	0.50
assign (residue 28 and name HG#	)	 (residue 28 and name HH1#	)	3.09	0.50	1.00
assign (residue 28 and name HG#	)	 (residue 28 and name HN	)	3.03	0.50	1.00
assign (residue 28 and name HG#	)	 (residue 29 and name HN	)	3.69	0.50	1.00
assign (residue 28 and name HG#	)	 (residue 30 and name HN	)	3.74	0.50	1.00
assign (residue 28 and name HH1#	)	 (residue 28 and name HD2	)	3.10	0.50	1.00
assign (residue 28 and name HH1#	)	 (residue 28 and name HG#	)	2.77	0.50	0.50
assign (residue 28 and name HN	)	 (residue 27 and name HG1#	)	3.35	0.50	1.00
assign (residue 28 and name HN	)	 (residue 28 and name HB1	)	3.12	0.50	1.00
assign (residue 28 and name HN	)	 (residue 28 and name HD1	)	3.55	0.50	1.00
assign (residue 28 and name HN	)	 (residue 28 and name HG#	)	3.24	0.50	1.00
assign (residue 28 and name HN	)	 (residue 48 and name HN	)	3.08	0.50	1.00
assign (residue 29 and name HA	)	 (residue 29 and name HN	)	3.19	0.50	1.00
assign (residue 29 and name HA	)	 (residue 30 and name HN	)	3.49	0.50	1.00
assign (residue 29 and name HB1	)	 (residue 29 and name HN	)	2.69	0.50	0.50
assign (residue 29 and name HB1	)	 (residue 30 and name HN	)	3.59	0.50	1.00
assign (residue 29 and name HB2	)	 (residue 29 and name HN	)	2.49	0.50	0.50
assign (residue 29 and name HB2	)	 (residue 30 and name HN	)	3.00	0.50	1.00
assign (residue 29 and name HG#	)	 (residue 29 and name HN	)	2.66	0.50	0.50
assign (residue 29 and name HN	)	 (residue 28 and name HB1	)	2.46	0.50	0.50
assign (residue 29 and name HN	)	 (residue 29 and name HG#	)	2.99	0.50	1.00
assign (residue 29 and name HN	)	 (residue 30 and name HN	)	2.89	0.50	0.50
assign (residue 3 and name HA	)	 (residue 4 and name HN	)	2.74	0.50	0.50
assign (residue 3 and name HB1	)	 (residue 3 and name HN	)	3.15	0.50	1.00
assign (residue 3 and name HB2	)	 (residue 3 and name HN	)	3.46	0.50	1.00
assign (residue 3 and name HB2	)	 (residue 4 and name HN	)	3.91	0.50	1.00
assign (residue 3 and name HN	)	 (residue 2 and name HB1	)	3.65	0.50	1.00
assign (residue 3 and name HN	)	 (residue 3 and name HB2	)	3.65	0.50	1.00
assign (residue 3 and name HN	)	 (residue 4 and name HN	)	2.92	0.50	0.50
assign (residue 30 and name HA	)	 (residue 30 and name HB#	)	3.14	0.50	1.00
assign (residue 30 and name HA	)	 (residue 30 and name HN	)	3.10	0.50	1.00
assign (residue 30 and name HB#	)	 (residue 30 and name HN	)	3.42	0.50	1.00
assign (residue 30 and name HB#	)	 (residue 31 and name HN	)	2.56	0.50	0.50
assign (residue 30 and name HN	)	 (residue 28 and name HB1	)	2.96	0.50	1.00
assign (residue 30 and name HN	)	 (residue 28 and name HB2	)	3.42	0.50	1.00
assign (residue 30 and name HN	)	 (residue 28 and name HG#	)	3.64	0.50	1.00
assign (residue 30 and name HN	)	 (residue 29 and name HB1	)	3.69	0.50	1.00
assign (residue 30 and name HN	)	 (residue 29 and name HB2	)	3.36	0.50	1.00
assign (residue 30 and name HN	)	 (residue 29 and name HN	)	2.86	0.50	0.50
assign (residue 30 and name HN	)	 (residue 31 and name HN	)	3.89	0.50	1.00
assign (residue 31 and name HA	)	 (residue 31 and name HB1	)	3.15	0.50	1.00
assign (residue 31 and name HB1	)	 (residue 31 and name HN	)	2.85	0.50	0.50
assign (residue 31 and name HN	)	 (residue 31 and name HB1	)	3.45	0.50	1.00
assign (residue 32 and name HA	)	 (residue 32 and name HB1	)	2.89	0.50	0.50
assign (residue 32 and name HA	)	 (residue 32 and name HN	)	3.60	0.50	1.00
assign (residue 32 and name HA	)	 (residue 33 and name HN	)	2.99	0.50	1.00
assign (residue 32 and name HB1	)	 (residue 32 and name HE1	)	3.38	0.50	1.00
assign (residue 32 and name HB1	)	 (residue 32 and name HN	)	3.05	0.50	1.00
assign (residue 32 and name HB1	)	 (residue 33 and name HN	)	3.14	0.50	1.00
assign (residue 32 and name HB2	)	 (residue 32 and name HD2	)	3.72	0.50	1.00
assign (residue 32 and name HB2	)	 (residue 32 and name HE1	)	3.19	0.50	1.00
assign (residue 32 and name HB2	)	 (residue 32 and name HN	)	3.71	0.50	1.00
assign (residue 32 and name HB2	)	 (residue 33 and name HN	)	3.21	0.50	1.00
assign (residue 32 and name HB2	)	 (residue 7 and name HB#	)	3.71	0.50	1.00
assign (residue 32 and name HD2	)	 (residue 32 and name HB2	)	3.80	0.50	1.00
assign (residue 32 and name HE1	)	 (residue 32 and name HB2	)	3.56	0.50	1.00
assign (residue 33 and name HA	)	 (residue 33 and name HB#	)	3.27	0.50	1.00
assign (residue 33 and name HA	)	 (residue 33 and name HN	)	2.91	0.50	0.50
assign (residue 33 and name HB#	)	 (residue 33 and name HN	)	2.78	0.50	0.50
assign (residue 33 and name HB#	)	 (residue 35 and name HN	)	3.73	0.50	1.00
assign (residue 33 and name HN	)	 (residue 32 and name HB1	)	3.55	0.50	1.00
assign (residue 33 and name HN	)	 (residue 32 and name HB2	)	3.16	0.50	1.00
assign (residue 34 and name HA	)	 (residue 34 and name HN	)	2.60	0.50	0.50
assign (residue 34 and name HA	)	 (residue 35 and name HN	)	2.83	0.50	0.50
assign (residue 34 and name HB#	)	 (residue 34 and name HN	)	2.65	0.50	0.50
assign (residue 34 and name HB#	)	 (residue 35 and name HN	)	3.35	0.50	1.00
assign (residue 34 and name HB#	)	 (residue 7 and name HB#	)	2.80	0.50	0.50
assign (residue 34 and name HN	)	 (residue 34 and name HB#	)	2.74	0.50	0.50
assign (residue 34 and name HN	)	 (residue 35 and name HN	)	3.06	0.50	1.00
assign (residue 35 and name HA	)	 (residue 35 and name HN	)	3.12	0.50	1.00
assign (residue 35 and name HA	)	 (residue 36 and name HN	)	2.74	0.50	0.50
assign (residue 35 and name HB1	)	 (residue 35 and name HN	)	2.82	0.50	0.50
assign (residue 35 and name HB2	)	 (residue 35 and name HN	)	2.91	0.50	0.50
assign (residue 35 and name HN	)	 (residue 34 and name HB#	)	3.69	0.50	1.00
assign (residue 35 and name HN	)	 (residue 34 and name HN	)	3.00	0.50	1.00
assign (residue 35 and name HN	)	 (residue 35 and name HB1	)	3.22	0.50	1.00
assign (residue 35 and name HN	)	 (residue 35 and name HB2	)	3.17	0.50	1.00
assign (residue 36 and name HA	)	 (residue 36 and name HN	)	3.49	0.50	1.00
assign (residue 36 and name HB2	)	 (residue 36 and name HN	)	3.45	0.50	1.00
assign (residue 36 and name HN	)	 (residue 37 and name HN	)	2.90	0.50	0.50
assign (residue 37 and name HA	)	 (residue 37 and name HN	)	3.07	0.50	1.00
assign (residue 37 and name HB1	)	 (residue 37 and name HG2	)	3.20	0.50	1.00
assign (residue 37 and name HB1	)	 (residue 37 and name HN	)	3.01	0.50	1.00
assign (residue 37 and name HB1	)	 (residue 51 and name HN	)	3.48	0.50	1.00
assign (residue 37 and name HG1	)	 (residue 37 and name HN	)	3.75	0.50	1.00
assign (residue 37 and name HG1	)	 (residue 38 and name HN	)	3.66	0.50	1.00
assign (residue 37 and name HG1	)	 (residue 51 and name HD#	)	3.70	0.50	1.00
assign (residue 37 and name HG2	)	 (residue 37 and name HB1	)	2.69	0.50	0.50
assign (residue 37 and name HG2	)	 (residue 38 and name HN	)	3.63	0.50	1.00
assign (residue 37 and name HN	)	 (residue 36 and name HB1	)	3.42	0.50	1.00
assign (residue 37 and name HN	)	 (residue 36 and name HN	)	2.88	0.50	0.50
assign (residue 37 and name HN	)	 (residue 37 and name HB1	)	3.05	0.50	1.00
assign (residue 37 and name HN	)	 (residue 37 and name HG1	)	3.56	0.50	1.00
assign (residue 38 and name HA	)	 (residue 38 and name HN	)	3.14	0.50	1.00
assign (residue 38 and name HA	)	 (residue 39 and name HG2#	)	3.63	0.50	1.00
assign (residue 38 and name HA	)	 (residue 39 and name HN	)	2.25	0.50	0.50
assign (residue 38 and name HA	)	 (residue 49 and name HN	)	3.56	0.50	1.00
assign (residue 38 and name HB1	)	 (residue 38 and name HN	)	2.37	0.50	0.50
assign (residue 38 and name HB2	)	 (residue 38 and name HN	)	2.40	0.50	0.50
assign (residue 38 and name HN	)	 (residue 38 and name HB1	)	2.67	0.50	0.50
assign (residue 38 and name HN	)	 (residue 38 and name HB2	)	2.64	0.50	0.50
assign (residue 39 and name HA	)	 (residue 39 and name HG1#	)	2.63	0.50	0.50
assign (residue 39 and name HA	)	 (residue 39 and name HG2#	)	2.61	0.50	0.50
assign (residue 39 and name HA	)	 (residue 40 and name HN	)	2.86	0.50	0.50
assign (residue 39 and name HB	)	 (residue 39 and name HN	)	2.63	0.50	0.50
assign (residue 39 and name HB	)	 (residue 51 and name HD#	)	3.01	0.50	1.00
assign (residue 39 and name HG1#	)	 (residue 51 and name HD#	)	3.39	0.50	1.00
assign (residue 39 and name HG1#	)	 (residue 51 and name HE#	)	3.64	0.50	1.00
assign (residue 39 and name HG2#	)	 (residue 39 and name HG1#	)	2.36	0.50	0.50
assign (residue 39 and name HG2#	)	 (residue 51 and name HD#	)	3.20	0.50	1.00
assign (residue 39 and name HG2#	)	 (residue 51 and name HE#	)	3.59	0.50	1.00
assign (residue 39 and name HN	)	 (residue 39 and name HB	)	2.90	0.50	0.50
assign (residue 39 and name HN	)	 (residue 39 and name HG1#	)	2.84	0.50	0.50
assign (residue 39 and name HN	)	 (residue 49 and name HN	)	2.54	0.50	0.50
assign (residue 39 and name HN	)	 (residue 51 and name HD#	)	3.73	0.50	1.00
assign (residue 39 and name HN	)	 (residue 51 and name HN	)	3.66	0.50	1.00
assign (residue 4 and name HA	)	 (residue 4 and name HN	)	3.33	0.50	1.00
assign (residue 4 and name HA	)	 (residue 5 and name HN	)	3.22	0.50	1.00
assign (residue 4 and name HA	)	 (residue 6 and name HN	)	3.48	0.50	1.00
assign (residue 4 and name HB	)	 (residue 4 and name HN	)	3.07	0.50	1.00
assign (residue 4 and name HB	)	 (residue 5 and name HN	)	3.08	0.50	1.00
assign (residue 4 and name HG#	)	 (residue 5 and name HN	)	3.36	0.50	1.00
assign (residue 4 and name HN	)	 (residue 3 and name HB2	)	3.65	0.50	1.00
assign (residue 4 and name HN	)	 (residue 3 and name HN	)	2.97	0.50	1.00
assign (residue 4 and name HN	)	 (residue 4 and name HB	)	3.20	0.50	1.00
assign (residue 4 and name HN	)	 (residue 4 and name HG#	)	2.95	0.50	1.00
assign (residue 40 and name HA	)	 (residue 40 and name HB2	)	2.46	0.50	0.50
assign (residue 40 and name HA	)	 (residue 41 and name HN	)	2.38	0.50	0.50
assign (residue 40 and name HA	)	 (residue 49 and name HN	)	3.12	0.50	1.00
assign (residue 40 and name HB1	)	 (residue 40 and name HN	)	2.65	0.50	0.50
assign (residue 40 and name HB1	)	 (residue 41 and name HN	)	3.29	0.50	1.00
assign (residue 40 and name HB2	)	 (residue 40 and name HN	)	3.09	0.50	1.00
assign (residue 40 and name HB2	)	 (residue 41 and name HN	)	3.12	0.50	1.00
assign (residue 40 and name HN	)	 (residue 40 and name HB1	)	2.87	0.50	0.50
assign (residue 40 and name HN	)	 (residue 40 and name HB2	)	3.25	0.50	1.00
assign (residue 41 and name HA	)	 (residue 41 and name HN	)	2.97	0.50	1.00
assign (residue 41 and name HA	)	 (residue 42 and name HN	)	2.44	0.50	0.50
assign (residue 41 and name HB#	)	 (residue 41 and name HN	)	2.60	0.50	0.50
assign (residue 41 and name HB#	)	 (residue 42 and name HD#	)	3.62	0.50	1.00
assign (residue 41 and name HB#	)	 (residue 42 and name HE#	)	3.84	0.50	1.00
assign (residue 41 and name HB#	)	 (residue 42 and name HN	)	2.85	0.50	0.50
assign (residue 41 and name HB#	)	 (residue 47 and name HN	)	3.59	0.50	1.00
assign (residue 41 and name HN	)	 (residue 41 and name HB#	)	2.68	0.50	0.50
assign (residue 41 and name HN	)	 (residue 47 and name HN	)	3.18	0.50	1.00
assign (residue 42 and name HA	)	 (residue 42 and name HB1	)	3.07	0.50	1.00
assign (residue 42 and name HA	)	 (residue 42 and name HD#	)	3.10	0.50	1.00
assign (residue 42 and name HA	)	 (residue 42 and name HN	)	2.75	0.50	0.50
assign (residue 42 and name HA	)	 (residue 43 and name HN	)	2.86	0.50	0.50
assign (residue 42 and name HB1	)	 (residue 42 and name HD#	)	3.13	0.50	1.00
assign (residue 42 and name HB1	)	 (residue 42 and name HN	)	3.29	0.50	1.00
assign (residue 42 and name HB1	)	 (residue 43 and name HN	)	3.00	0.50	1.00
assign (residue 42 and name HB2	)	 (residue 42 and name HD#	)	2.81	0.50	1.00
assign (residue 42 and name HB2	)	 (residue 42 and name HN	)	2.95	0.50	1.00
assign (residue 42 and name HD#	)	 (residue 41 and name HB#	)	3.50	0.50	1.00
assign (residue 42 and name HD#	)	 (residue 42 and name HB1	)	3.55	0.50	1.00
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assign (residue 42 and name HD#	)	 (residue 43 and name HN	)	2.96	0.50	1.00
assign (residue 42 and name HE#	)	 (residue 41 and name HB#	)	3.84	0.50	1.00
assign (residue 42 and name HE#	)	 (residue 42 and name HD#	)	2.59	0.50	1.00
assign (residue 42 and name HN	)	 (residue 41 and name HB#	)	2.85	0.50	0.50
assign (residue 42 and name HN	)	 (residue 42 and name HB1	)	3.21	0.50	1.00
assign (residue 42 and name HN	)	 (residue 42 and name HD#	)	3.00	0.50	1.00
assign (residue 43 and name HA	)	 (residue 43 and name HB2	)	3.46	0.50	1.00
assign (residue 43 and name HA	)	 (residue 43 and name HN	)	3.27	0.50	1.00
assign (residue 43 and name HA	)	 (residue 44 and name HN	)	2.55	0.50	0.50
assign (residue 43 and name HB1	)	 (residue 43 and name HN	)	3.91	0.50	1.00
assign (residue 43 and name HB1	)	 (residue 44 and name HN	)	2.71	0.50	0.50
assign (residue 43 and name HB2	)	 (residue 43 and name HN	)	3.39	0.50	1.00
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assign (residue 43 and name HN	)	 (residue 41 and name HB#	)	3.79	0.50	1.00
assign (residue 43 and name HN	)	 (residue 42 and name HB1	)	3.25	0.50	1.00
assign (residue 43 and name HN	)	 (residue 42 and name HN	)	3.67	0.50	1.00
assign (residue 44 and name HA	)	 (residue 44 and name HB2	)	2.84	0.50	0.50
assign (residue 44 and name HA	)	 (residue 44 and name HN	)	2.80	0.50	0.50
assign (residue 44 and name HB1	)	 (residue 44 and name HD21	)	3.47	0.50	1.00
assign (residue 44 and name HB1	)	 (residue 44 and name HD22	)	3.62	0.50	1.00
assign (residue 44 and name HB1	)	 (residue 44 and name HN	)	3.03	0.50	1.00
assign (residue 44 and name HB2	)	 (residue 44 and name HD21	)	3.45	0.50	1.00
assign (residue 44 and name HB2	)	 (residue 44 and name HN	)	2.89	0.50	0.50
assign (residue 44 and name HD21	)	 (residue 44 and name HB2	)	3.54	0.50	1.00
assign (residue 44 and name HD21	)	 (residue 44 and name HD22	)	2.05	0.50	0.50
assign (residue 44 and name HD22	)	 (residue 44 and name HB1	)	3.69	0.50	1.00
assign (residue 44 and name HD22	)	 (residue 44 and name HD21	)	1.97	0.50	0.50
assign (residue 44 and name HN	)	 (residue 44 and name HB1	)	3.26	0.50	1.00
assign (residue 44 and name HN	)	 (residue 44 and name HB2	)	2.87	0.50	0.50
assign (residue 45 and name HA	)	 (residue 45 and name HG2	)	3.06	0.50	1.00
assign (residue 45 and name HG1	)	 (residue 45 and name HG2	)	2.03	0.50	0.50
assign (residue 46 and name HB2	)	 (residue 47 and name HN	)	3.61	0.50	1.00
assign (residue 46 and name HG1	)	 (residue 46 and name HA	)	3.89	0.50	1.00
assign (residue 46 and name HG1	)	 (residue 46 and name HG2	)	2.62	0.50	0.50
assign (residue 47 and name HA	)	 (residue 47 and name HE21	)	3.41	0.50	1.00
assign (residue 47 and name HA	)	 (residue 47 and name HN	)	2.45	0.50	0.50
assign (residue 47 and name HA	)	 (residue 48 and name HN	)	2.36	0.50	0.50
assign (residue 47 and name HB1	)	 (residue 41 and name HB#	)	3.40	0.50	1.00
assign (residue 47 and name HB1	)	 (residue 47 and name HE21	)	3.19	0.50	1.00
assign (residue 47 and name HB1	)	 (residue 47 and name HE22	)	3.71	0.50	1.00
assign (residue 47 and name HB2	)	 (residue 47 and name HE21	)	3.61	0.50	1.00
assign (residue 47 and name HB2	)	 (residue 47 and name HN	)	3.33	0.50	1.00
assign (residue 47 and name HB2	)	 (residue 48 and name HN	)	3.77	0.50	1.00
assign (residue 47 and name HE21	)	 (residue 47 and name HB1	)	3.28	0.50	1.00
assign (residue 47 and name HE21	)	 (residue 47 and name HB2	)	3.88	0.50	1.00
assign (residue 47 and name HE21	)	 (residue 47 and name HE22	)	2.27	0.50	0.50
assign (residue 47 and name HE22	)	 (residue 47 and name HB1	)	3.67	0.50	1.00
assign (residue 47 and name HE22	)	 (residue 47 and name HE21	)	2.09	0.50	0.50
assign (residue 47 and name HG#	)	 (residue 47 and name HN	)	2.98	0.50	1.00
assign (residue 47 and name HN	)	 (residue 41 and name HB#	)	3.40	0.50	1.00
assign (residue 47 and name HN	)	 (residue 41 and name HN	)	2.70	0.50	0.50
assign (residue 47 and name HN	)	 (residue 46 and name HB2	)	3.17	0.50	1.00
assign (residue 47 and name HN	)	 (residue 47 and name HG#	)	3.05	0.50	1.00
assign (residue 48 and name HA	)	 (residue 39 and name HN	)	3.44	0.50	1.00
assign (residue 48 and name HA	)	 (residue 48 and name HB1	)	2.96	0.50	1.00
assign (residue 48 and name HA	)	 (residue 48 and name HN	)	3.30	0.50	1.00
assign (residue 48 and name HA	)	 (residue 49 and name HN	)	2.38	0.50	0.50
assign (residue 48 and name HB1	)	 (residue 48 and name HN	)	3.45	0.50	1.00
assign (residue 48 and name HB1	)	 (residue 49 and name HN	)	3.03	0.50	1.00
assign (residue 48 and name HB2	)	 (residue 48 and name HN	)	2.85	0.50	0.50
assign (residue 48 and name HN	)	 (residue 27 and name HG2#	)	3.34	0.50	1.00
assign (residue 48 and name HN	)	 (residue 28 and name HN	)	3.00	0.50	1.00
assign (residue 48 and name HN	)	 (residue 48 and name HB1	)	3.53	0.50	1.00
assign (residue 48 and name HN	)	 (residue 48 and name HB2	)	3.14	0.50	1.00
assign (residue 48 and name HN	)	 (residue 48 and name HB2	)	3.35	0.50	1.00
assign (residue 49 and name HA	)	 (residue 49 and name HN	)	2.45	0.50	0.50
assign (residue 49 and name HA	)	 (residue 50 and name HN	)	2.49	0.50	0.50
assign (residue 49 and name HB1	)	 (residue 49 and name HE21	)	3.47	0.50	1.00
assign (residue 49 and name HB1	)	 (residue 49 and name HE22	)	3.77	0.50	1.00
assign (residue 49 and name HB1	)	 (residue 50 and name HN	)	3.64	0.50	1.00
assign (residue 49 and name HB2	)	 (residue 49 and name HE21	)	3.06	0.50	1.00
assign (residue 49 and name HB2	)	 (residue 49 and name HE22	)	3.35	0.50	1.00
assign (residue 49 and name HB2	)	 (residue 49 and name HN	)	2.36	0.50	0.50
assign (residue 49 and name HG#	)	 (residue 48 and name HN	)	3.56	0.50	1.00
assign (residue 49 and name HG#	)	 (residue 49 and name HE21	)	3.47	0.50	1.00
assign (residue 49 and name HG#	)	 (residue 49 and name HN	)	3.03	0.50	1.00
assign (residue 49 and name HG#	)	 (residue 50 and name HN	)	3.12	0.50	1.00
assign (residue 49 and name HN	)	 (residue 48 and name HB1	)	3.44	0.50	1.00
assign (residue 49 and name HN	)	 (residue 49 and name HB1	)	3.69	0.50	1.00
assign (residue 5 and name HA	)	 (residue 5 and name HN	)	2.95	0.50	0.50
assign (residue 5 and name HA	)	 (residue 6 and name HN	)	2.61	0.50	0.50
assign (residue 5 and name HB1	)	 (residue 5 and name HN	)	3.02	0.50	1.00
assign (residue 5 and name HB1	)	 (residue 6 and name HN	)	3.79	0.50	1.00
assign (residue 5 and name HB2	)	 (residue 5 and name HN	)	2.72	0.50	0.50
assign (residue 5 and name HG1	)	 (residue 5 and name HN	)	3.43	0.50	1.00
assign (residue 5 and name HG2	)	 (residue 5 and name HN	)	3.22	0.50	1.00
assign (residue 5 and name HG2	)	 (residue 6 and name HN	)	3.77	0.50	1.00
assign (residue 5 and name HN	)	 (residue 4 and name HB	)	3.24	0.50	1.00
assign (residue 5 and name HN	)	 (residue 4 and name HG#	)	3.04	0.50	1.00
assign (residue 5 and name HN	)	 (residue 4 and name HN	)	3.27	0.50	1.00
assign (residue 5 and name HN	)	 (residue 5 and name HB1	)	3.19	0.50	1.00
assign (residue 5 and name HN	)	 (residue 5 and name HB2	)	3.39	0.50	1.00
assign (residue 5 and name HN	)	 (residue 5 and name HG2	)	3.44	0.50	1.00
assign (residue 5 and name HN	)	 (residue 6 and name HN	)	3.16	0.50	1.00
assign (residue 50 and name HA	)	 (residue 50 and name HB1	)	3.62	0.50	1.00
assign (residue 50 and name HA	)	 (residue 50 and name HN	)	3.20	0.50	1.00
assign (residue 50 and name HA	)	 (residue 51 and name HN	)	2.46	0.50	0.50
assign (residue 50 and name HA	)	 (residue 52 and name HN	)	3.49	0.50	1.00
assign (residue 50 and name HB1	)	 (residue 50 and name HN	)	3.14	0.50	1.00
assign (residue 50 and name HB1	)	 (residue 51 and name HN	)	3.91	0.50	1.00
assign (residue 50 and name HB2	)	 (residue 50 and name HN	)	3.20	0.50	1.00
assign (residue 50 and name HN	)	 (residue 49 and name HG#	)	2.98	0.50	1.00
assign (residue 50 and name HN	)	 (residue 50 and name HB2	)	3.21	0.50	1.00
assign (residue 51 and name HA	)	 (residue 51 and name HB1	)	3.21	0.50	1.00
assign (residue 51 and name HA	)	 (residue 51 and name HD#	)	3.18	0.50	1.00
assign (residue 51 and name HA	)	 (residue 51 and name HE#	)	3.87	0.50	1.00
assign (residue 51 and name HA	)	 (residue 51 and name HN	)	3.19	0.50	1.00
assign (residue 51 and name HA	)	 (residue 52 and name HN	)	3.13	0.50	1.00
assign (residue 51 and name HB1	)	 (residue 51 and name HD#	)	3.13	0.50	1.00
assign (residue 51 and name HB1	)	 (residue 51 and name HN	)	3.13	0.50	1.00
assign (residue 51 and name HB1	)	 (residue 52 and name HN	)	3.68	0.50	1.00
assign (residue 51 and name HB2	)	 (residue 51 and name HD#	)	3.20	0.50	1.00
assign (residue 51 and name HB2	)	 (residue 51 and name HN	)	2.75	0.50	0.50
assign (residue 51 and name HD#	)	 (residue 39 and name HB	)	2.94	0.50	1.00
assign (residue 51 and name HD#	)	 (residue 39 and name HG1#	)	3.54	0.50	1.00
assign (residue 51 and name HD#	)	 (residue 39 and name HG2#	)	3.18	0.50	1.00
assign (residue 51 and name HD#	)	 (residue 39 and name HN	)	3.61	0.50	1.00
assign (residue 51 and name HD#	)	 (residue 51 and name HB1	)	3.36	0.50	1.00
assign (residue 51 and name HD#	)	 (residue 51 and name HB2	)	3.39	0.50	1.00
assign (residue 51 and name HD#	)	 (residue 51 and name HE#	)	2.31	0.50	1.00
assign (residue 51 and name HD#	)	 (residue 51 and name HN	)	3.27	0.50	1.00
assign (residue 51 and name HE#	)	 (residue 39 and name HG1#	)	3.48	0.50	1.00
assign (residue 51 and name HE#	)	 (residue 39 and name HG2#	)	3.56	0.50	1.00
assign (residue 51 and name HE#	)	 (residue 51 and name HD#	)	2.35	0.50	1.00
assign (residue 51 and name HN	)	 (residue 37 and name HB1	)	3.69	0.50	1.00
assign (residue 51 and name HN	)	 (residue 51 and name HB1	)	3.72	0.50	1.00
assign (residue 51 and name HN	)	 (residue 51 and name HB2	)	2.97	0.50	1.00
assign (residue 51 and name HN	)	 (residue 51 and name HD#	)	3.26	0.50	1.00
assign (residue 51 and name HN	)	 (residue 52 and name HN	)	3.01	0.50	1.00
assign (residue 52 and name HA	)	 (residue 52 and name HN	)	3.35	0.50	1.00
assign (residue 52 and name HA	)	 (residue 53 and name HN	)	2.30	0.50	0.50
assign (residue 52 and name HB1	)	 (residue 52 and name HN	)	3.04	0.50	1.00
assign (residue 52 and name HB2	)	 (residue 52 and name HN	)	3.30	0.50	1.00
assign (residue 52 and name HN	)	 (residue 37 and name HB1	)	3.86	0.50	1.00
assign (residue 52 and name HN	)	 (residue 51 and name HN	)	2.95	0.50	0.50
assign (residue 52 and name HN	)	 (residue 52 and name HB1	)	3.14	0.50	1.00
assign (residue 52 and name HN	)	 (residue 52 and name HB2	)	3.31	0.50	1.00
assign (residue 53 and name HA	)	 (residue 53 and name HN	)	3.21	0.50	1.00
assign (residue 53 and name HB	)	 (residue 53 and name HN	)	3.44	0.50	1.00
assign (residue 53 and name HG2#	)	 (residue 22 and name HN	)	3.84	0.50	1.00
assign (residue 53 and name HG2#	)	 (residue 53 and name HN	)	3.12	0.50	1.00
assign (residue 53 and name HG2#	)	 (residue 54 and name HN	)	3.70	0.50	1.00
assign (residue 53 and name HN	)	 (residue 53 and name HG2#	)	3.19	0.50	1.00
assign (residue 54 and name HA	)	 (residue 54 and name HN	)	2.51	0.50	0.50
assign (residue 54 and name HB#	)	 (residue 54 and name HE1	)	3.01	0.50	1.00
assign (residue 54 and name HB#	)	 (residue 54 and name HN	)	3.47	0.50	1.00
assign (residue 54 and name HB#	)	 (residue 55 and name HN	)	2.80	0.50	0.50
assign (residue 54 and name HE1	)	 (residue 54 and name HB#	)	3.09	0.50	1.00
assign (residue 54 and name HN	)	 (residue 22 and name HN	)	3.25	0.50	1.00
assign (residue 54 and name HN	)	 (residue 54 and name HB#	)	3.65	0.50	1.00
assign (residue 54 and name HN	)	 (residue 55 and name HN	)	2.95	0.50	0.50
assign (residue 55 and name HA	)	 (residue 22 and name HN	)	3.49	0.50	1.00
assign (residue 55 and name HA	)	 (residue 55 and name HB2	)	3.20	0.50	1.00
assign (residue 55 and name HA	)	 (residue 55 and name HN	)	2.82	0.50	0.50
assign (residue 55 and name HA	)	 (residue 56 and name HN	)	3.35	0.50	1.00
assign (residue 55 and name HB1	)	 (residue 55 and name HN	)	3.30	0.50	1.00
assign (residue 55 and name HB2	)	 (residue 55 and name HN	)	2.76	0.50	0.50
assign (residue 55 and name HB2	)	 (residue 56 and name HN	)	3.34	0.50	1.00
assign (residue 55 and name HE#	)	 (residue 55 and name HZ#	)	2.67	0.50	1.00
assign (residue 55 and name HG#	)	 (residue 55 and name HN	)	2.95	0.50	1.00
assign (residue 55 and name HN	)	 (residue 54 and name HB#	)	2.83	0.50	0.50
assign (residue 55 and name HN	)	 (residue 55 and name HB2	)	2.87	0.50	0.50
assign (residue 55 and name HN	)	 (residue 55 and name HG#	)	3.00	0.50	1.00
assign (residue 56 and name HB#	)	 (residue 56 and name HD#	)	2.58	0.50	1.00
assign (residue 56 and name HB#	)	 (residue 56 and name HE#	)	3.43	0.50	1.00
assign (residue 56 and name HB#	)	 (residue 56 and name HN	)	3.66	0.50	1.00
assign (residue 56 and name HD#	)	 (residue 55 and name HG#	)	3.38	0.50	1.00
assign (residue 56 and name HD#	)	 (residue 56 and name HB#	)	2.77	0.50	1.00
assign (residue 56 and name HD#	)	 (residue 56 and name HE#	)	2.33	0.50	1.00
assign (residue 56 and name HD#	)	 (residue 56 and name HZ	)	3.47	0.50	1.00
assign (residue 56 and name HD#	)	 (residue 57 and name HN	)	3.14	0.50	1.00
assign (residue 56 and name HE#	)	 (residue 56 and name HD#	)	2.61	0.50	1.00
assign (residue 56 and name HE#	)	 (residue 56 and name HZ	)	2.49	0.50	1.00
assign (residue 56 and name HN	)	 (residue 55 and name HN	)	3.92	0.50	1.00
assign (residue 56 and name HN	)	 (residue 56 and name HB#	)	3.87	0.50	1.00
assign (residue 56 and name HZ	)	 (residue 56 and name HE#	)	2.65	0.50	1.00
assign (residue 57 and name HA	)	 (residue 58 and name HN	)	2.51	0.50	0.50
assign (residue 57 and name HB1	)	 (residue 57 and name HN	)	3.09	0.50	1.00
assign (residue 57 and name HB2	)	 (residue 57 and name HN	)	2.83	0.50	0.50
assign (residue 57 and name HN	)	 (residue 56 and name HB#	)	2.77	0.50	0.50
assign (residue 57 and name HN	)	 (residue 56 and name HD#	)	3.33	0.50	1.00
assign (residue 57 and name HN	)	 (residue 57 and name HB1	)	3.44	0.50	1.00
assign (residue 57 and name HN	)	 (residue 57 and name HB2	)	3.13	0.50	1.00
assign (residue 58 and name HA	)	 (residue 58 and name HD#	)	2.84	0.50	1.00
assign (residue 58 and name HA	)	 (residue 59 and name HN	)	2.52	0.50	0.50
assign (residue 58 and name HB1	)	 (residue 58 and name HD#	)	3.01	0.50	1.00
assign (residue 58 and name HB1	)	 (residue 58 and name HN	)	3.09	0.50	1.00
assign (residue 58 and name HB1	)	 (residue 59 and name HN	)	2.86	0.50	0.50
assign (residue 58 and name HB2	)	 (residue 58 and name HD#	)	2.98	0.50	1.00
assign (residue 58 and name HB2	)	 (residue 58 and name HN	)	2.90	0.50	0.50
assign (residue 58 and name HB2	)	 (residue 59 and name HN	)	3.19	0.50	1.00
assign (residue 58 and name HB2	)	 (residue 9 and name HN	)	3.68	0.50	1.00
assign (residue 58 and name HD#	)	 (residue 58 and name HE#	)	2.42	0.50	1.00
assign (residue 58 and name HD#	)	 (residue 59 and name HN	)	3.61	0.50	1.00
assign (residue 58 and name HD#	)	 (residue 7 and name HB#	)	3.21	0.50	1.00
assign (residue 58 and name HE#	)	 (residue 58 and name HD#	)	2.38	0.50	1.00
assign (residue 58 and name HE#	)	 (residue 7 and name HB#	)	3.19	0.50	1.00
assign (residue 58 and name HN	)	 (residue 57 and name HB1	)	3.49	0.50	1.00
assign (residue 58 and name HN	)	 (residue 57 and name HB2	)	3.76	0.50	1.00
assign (residue 58 and name HN	)	 (residue 57 and name HN	)	3.10	0.50	1.00
assign (residue 58 and name HN	)	 (residue 58 and name HB1	)	3.47	0.50	1.00
assign (residue 58 and name HN	)	 (residue 58 and name HB2	)	3.01	0.50	1.00
assign (residue 59 and name HA	)	 (residue 59 and name HN	)	2.47	0.50	0.50
assign (residue 59 and name HA	)	 (residue 60 and name HN	)	2.45	0.50	0.50
assign (residue 59 and name HB1	)	 (residue 59 and name HN	)	2.84	0.50	0.50
assign (residue 59 and name HB1	)	 (residue 60 and name HN	)	2.72	0.50	0.50
assign (residue 59 and name HB2	)	 (residue 59 and name HN	)	2.98	0.50	1.00
assign (residue 59 and name HE#	)	 (residue 59 and name HN	)	3.47	0.50	1.00
assign (residue 59 and name HG1	)	 (residue 59 and name HN	)	3.07	0.50	1.00
assign (residue 59 and name HG2	)	 (residue 59 and name HN	)	3.31	0.50	1.00
assign (residue 59 and name HN	)	 (residue 58 and name HB1	)	3.16	0.50	1.00
assign (residue 59 and name HN	)	 (residue 58 and name HB2	)	3.31	0.50	1.00
assign (residue 59 and name HN	)	 (residue 58 and name HD#	)	3.77	0.50	1.00
assign (residue 59 and name HN	)	 (residue 59 and name HB2	)	2.76	0.50	0.50
assign (residue 6 and name HA	)	 (residue 7 and name HN	)	2.60	0.50	0.50
assign (residue 6 and name HB#	)	 (residue 6 and name HN	)	2.95	0.50	0.50
assign (residue 6 and name HB#	)	 (residue 7 and name HN	)	3.10	0.50	1.00
assign (residue 6 and name HN	)	 (residue 5 and name HN	)	2.93	0.50	0.50
assign (residue 60 and name HA	)	 (residue 60 and name HN	)	3.05	0.50	1.00
assign (residue 60 and name HA	)	 (residue 61 and name HN	)	2.46	0.50	0.50
assign (residue 60 and name HA	)	 (residue 9 and name HN	)	3.22	0.50	1.00
assign (residue 60 and name HB#	)	 (residue 60 and name HN	)	2.44	0.50	0.50
assign (residue 60 and name HB#	)	 (residue 61 and name HN	)	2.86	0.50	0.50
assign (residue 60 and name HN	)	 (residue 59 and name HB1	)	3.01	0.50	1.00
assign (residue 60 and name HN	)	 (residue 59 and name HB2	)	3.12	0.50	1.00
assign (residue 60 and name HN	)	 (residue 60 and name HB#	)	2.46	0.50	0.50
assign (residue 60 and name HN	)	 (residue 61 and name HN	)	3.71	0.50	1.00
assign (residue 61 and name HA	)	 (residue 61 and name HN	)	2.76	0.50	0.50
assign (residue 61 and name HA	)	 (residue 62 and name HN	)	2.84	0.50	0.50
assign (residue 61 and name HB#	)	 (residue 61 and name HN	)	2.61	0.50	0.50
assign (residue 61 and name HN	)	 (residue 60 and name HB#	)	2.92	0.50	0.50
assign (residue 61 and name HN	)	 (residue 61 and name HB#	)	3.00	0.50	1.00
assign (residue 61 and name HN	)	 (residue 62 and name HN	)	2.91	0.50	0.50
assign (residue 61 and name HN	)	 (residue 9 and name HN	)	3.49	0.50	1.00
assign (residue 62 and name HA	)	 (residue 61 and name HN	)	3.85	0.50	1.00
assign (residue 62 and name HA	)	 (residue 62 and name HE1	)	3.89	0.50	1.00
assign (residue 62 and name HA	)	 (residue 62 and name HN	)	3.09	0.50	1.00
assign (residue 62 and name HB1	)	 (residue 62 and name HE1	)	3.65	0.50	1.00
assign (residue 62 and name HB1	)	 (residue 63 and name HN 	)	3.27	0.50	1.00
assign (residue 62 and name HB2	)	 (residue 62 and name HE1	)	3.87	0.50	1.00
assign (residue 62 and name HB2	)	 (residue 62 and name HN	)	3.67	0.50	1.00
assign (residue 62 and name HB2	)	 (residue 63 and name HN 	)	3.47	0.50	1.00
assign (residue 62 and name HN	)	 (residue 61 and name HN	)	3.08	0.50	1.00
assign (residue 62 and name HN	)	 (residue 62 and name HB1	)	3.19	0.50	1.00
assign (residue 63 and name HA	)	 (residue 63 and name HN 	)	2.31	0.50	0.50
assign (residue 63 and name HA	)	 (residue 64 and name HN	)	2.78	0.50	0.50
assign (residue 63 and name HB1	)	 (residue 63 and name HN	)	3.48	0.50	1.00
assign (residue 63 and name HB1	)	 (residue 64 and name HN	)	3.30	0.50	1.00
assign (residue 63 and name HB2	)	 (residue 63 and name HN 	)	3.25	0.50	1.00
assign (residue 63 and name HD21	)	 (residue 63 and name HB2	)	3.93	0.50	1.00
assign (residue 63 and name HD21	)	 (residue 63 and name HD22	)	2.13	0.50	0.50
assign (residue 63 and name HD22	)	 (residue 63 and name HD21	)	2.02	0.50	0.50
assign (residue 63 and name HN 	)	 (residue 63 and name HB2	)	3.70	0.50	1.00
assign (residue 63 and name HN	)	 (residue 63 and name HB1	)	3.77	0.50	1.00
assign (residue 63 and name HN	)	 (residue 64 and name HN	)	2.53	0.50	0.50
assign (residue 64 and name HA	)	 (residue 64 and name HN	)	3.41	0.50	1.00
assign (residue 64 and name HA	)	 (residue 65 and name HN	)	2.85	0.50	0.50
assign (residue 64 and name HB#	)	 (residue 64 and name HN	)	2.49	0.50	0.50
assign (residue 64 and name HN	)	 (residue 63 and name HB1	)	3.77	0.50	1.00
assign (residue 64 and name HN	)	 (residue 63 and name HN	)	2.53	0.50	0.50
assign (residue 65 and name HA	)	 (residue 66 and name HN	)	2.85	0.50	0.50
assign (residue 65 and name HB1	)	 (residue 66 and name HN	)	3.86	0.50	1.00
assign (residue 65 and name HB2	)	 (residue 65 and name HN	)	3.11	0.50	1.00
assign (residue 65 and name HB2	)	 (residue 66 and name HN	)	3.76	0.50	1.00
assign (residue 65 and name HG#	)	 (residue 65 and name HN	)	3.35	0.50	1.00
assign (residue 65 and name HN	)	 (residue 65 and name HB2	)	3.12	0.50	1.00
assign (residue 65 and name HN	)	 (residue 66 and name HN	)	3.11	0.50	1.00
assign (residue 66 and name HA	)	 (residue 67 and name HN	)	2.99	0.50	1.00
assign (residue 66 and name HB	)	 (residue 66 and name HN	)	3.28	0.50	1.00
assign (residue 66 and name HG11	)	 (residue 66 and name HN	)	3.61	0.50	1.00
assign (residue 66 and name HG12	)	 (residue 66 and name HN	)	3.80	0.50	1.00
assign (residue 66 and name HG2#	)	 (residue 67 and name HN	)	3.49	0.50	1.00
assign (residue 66 and name HN	)	 (residue 65 and name HB1	)	3.25	0.50	1.00
assign (residue 66 and name HN	)	 (residue 65 and name HN	)	3.02	0.50	1.00
assign (residue 66 and name HN	)	 (residue 66 and name HB	)	3.23	0.50	1.00
assign (residue 66 and name HN	)	 (residue 66 and name HG11	)	3.33	0.50	1.00
assign (residue 66 and name HN	)	 (residue 66 and name HG12	)	3.53	0.50	1.00
assign (residue 67 and name HB1	)	 (residue 67 and name HN	)	3.91	0.50	1.00
assign (residue 67 and name HB2	)	 (residue 67 and name HN	)	3.86	0.50	1.00
assign (residue 67 and name HG#	)	 (residue 67 and name HN	)	3.59	0.50	1.00
assign (residue 67 and name HN	)	 (residue 66 and name HB	)	2.69	0.50	0.50
assign (residue 67 and name HN	)	 (residue 67 and name HB2	)	3.35	0.50	1.00
assign (residue 7 and name HA	)	 (residue 7 and name HN	)	3.12	0.50	1.00
assign (residue 7 and name HA	)	 (residue 8 and name HN	)	2.51	0.50	0.50
assign (residue 7 and name HB#	)	 (residue 58 and name HD#	)	3.02	0.50	1.00
assign (residue 7 and name HB#	)	 (residue 58 and name HE#	)	3.49	0.50	1.00
assign (residue 7 and name HB#	)	 (residue 7 and name HN	)	2.74	0.50	0.50
assign (residue 7 and name HB#	)	 (residue 8 and name HN	)	3.16	0.50	1.00
assign (residue 7 and name HN	)	 (residue 7 and name HB#	)	2.75	0.50	0.50
assign (residue 8 and name HA	)	 (residue 58 and name HD#	)	3.88	0.50	1.00
assign (residue 8 and name HA	)	 (residue 8 and name HB1	)	2.70	0.50	0.50
assign (residue 8 and name HA	)	 (residue 8 and name HB2	)	2.87	0.50	0.50
assign (residue 8 and name HA	)	 (residue 9 and name HN	)	2.67	0.50	0.50
assign (residue 8 and name HB2	)	 (residue 61 and name HN	)	3.54	0.50	1.00
assign (residue 8 and name HN	)	 (residue 7 and name HB#	)	3.18	0.50	1.00
assign (residue 8 and name HN	)	 (residue 7 and name HN	)	3.27	0.50	1.00
assign (residue 9 and name HA	)	 (residue 10 and name HN	)	3.01	0.50	1.00
assign (residue 9 and name HA	)	 (residue 9 and name HN	)	3.31	0.50	1.00
assign (residue 9 and name HB#	)	 (residue 58 and name HD#	)	3.72	0.50	1.00
assign (residue 9 and name HB#	)	 (residue 58 and name HN	)	3.31	0.50	1.00
assign (residue 9 and name HB#	)	 (residue 9 and name HN	)	2.53	0.50	0.50
assign (residue 9 and name HN	)	 (residue 58 and name HB2	)	3.63	0.50	1.00
assign (residue 9 and name HN	)	 (residue 61 and name HN	)	3.68	0.50	1.00
assign (residue 9 and name HN	)	 (residue 9 and name HB#	)	2.87	0.50	0.50

** reference cross-peaks for tmix 80 ms **

assign (residue 58 and name HE#) (residue 58 and name HD#) 20297000.0
assign (residue 58 and name HD#) (residue 58 and name HE#) 18227000.0
assign (residue 42 and name HE#) (residue 42 and name HD#) 12129000.0
assign (residue 51 and name HD#) (residue 51 and name HE#) 24191000.0
assign (residue 51 and name HE#) (residue 51 and name HD#) 21983000.0
assign (residue 10 and name HB1) (residue 10 and name HB2) 42131000.0
assign (residue 10 and name HB2) (residue 10 and name HB1) 32478000.0
assign (residue 12 and name HB1) (residue 12 and name HB2) 19549000.0
assign (residue 12 and name HB2) (residue 12 and name HB1) 13359000.0
assign (residue 19 and name HB1) (residue 19 and name HB2) 14947000.0
assign (residue 19 and name HB2) (residue 19 and name HB1) 13210000.0
assign (residue 31 and name HB1) (residue 31 and name HB2) 24048000.0
assign (residue 31 and name HB2) (residue 31 and name HB1) 11961000.0
assign (residue 32 and name HB1) (residue 32 and name HB2) 20657000.0
assign (residue 32 and name HB2) (residue 32 and name HB1) 15992000.0
assign (residue 35 and name HB1) (residue 35 and name HB2) 15516000.0
assign (residue 35 and name HB2) (residue 35 and name HB1) 12761000.0
assign (residue 38 and name HB1) (residue 38 and name HB2) 16061000.0
assign (residue 38 and name HB2) (residue 38 and name HB1) 14797000.0
assign (residue 42 and name HB1) (residue 42 and name HB2) 18626000.0
assign (residue 42 and name HB2) (residue 42 and name HB1) 16620000.0
assign (residue 44 and name HB2) (residue 44 and name HB1) 30602000.0
assign (residue 45 and name HB1) (residue 45 and name HB2) 54634000.0
assign (residue 45 and name HB2) (residue 45 and name HB1) 28226000.0
assign (residue 51 and name HB1) (residue 51 and name HB2) 28130000.0
assign (residue 51 and name HB2) (residue 51 and name HB1) 16546000.0
assign (residue 58 and name HB1) (residue 58 and name HB2) 23179000.0
assign (residue 58 and name HB2) (residue 58 and name HB1) 14912000.0

** cross-peak volumes for tmix 80 ms **



error_input
    input=uniform  mode=relative  value=  0.1
 end
assign (residue 10 and name HA) (residue 10 and name HB1) 5724400.0
assign (residue 10 and name HA) (residue 10 and name HB2) 5999100.0
assign (residue 10 and name HA) (residue 11 and name HN) 1829200.0
assign (residue 10 and name HA) (residue 61 and name HN) 1798200.0
assign (residue 10 and name HB1) (residue 10 and name HB2) 42131000.0
assign (residue 10 and name HB1) (residue 10 and name HN) 6194000.0
assign (residue 10 and name HB1) (residue 11 and name HN) 4530500.0
assign (residue 10 and name HB2) (residue 10 and name HB1) 32478000.0
assign (residue 10 and name HB2) (residue 11 and name HN) 2077000.0
assign (residue 10 and name HN) (residue 11 and name HN) 4548300.0
assign (residue 11 and name HA) (residue 11 and name HN) 3543400.0
assign (residue 11 and name HA) (residue 12 and name HN) 25774000.0
assign (residue 11 and name HB) (residue 11 and name HN) 5097500.0
assign (residue 11 and name HB) (residue 25 and name HN) 2494400.0
assign (residue 11 and name HG2#) (residue 11 and name HN) 1279700.0
assign (residue 11 and name HG2#) (residue 12 and name HN) 4658800.0
assign (residue 11 and name HG2#) (residue 25 and name HG2#) 20638000.0
assign (residue 11 and name HG2#) (residue 25 and name HN) 3479800.0
assign (residue 11 and name HN) (residue 10 and name HB1) 2111700.0
assign (residue 11 and name HN) (residue 10 and name HB2) 2754200.0
assign (residue 11 and name HN) (residue 10 and name HN) 1645400.0
assign (residue 11 and name HN) (residue 11 and name HG2#) 1835600.0
assign (residue 12 and name HA) (residue 12 and name HB1) 3811600.0
assign (residue 12 and name HA) (residue 12 and name HB2) 2803700.0
assign (residue 12 and name HA) (residue 12 and name HN) 3873800.0
assign (residue 12 and name HA) (residue 13 and name HN) 13091000.0
assign (residue 12 and name HA) (residue 25 and name HN) 3454500.0
assign (residue 12 and name HB1) (residue 12 and name HB2) 19549000.0
assign (residue 12 and name HB1) (residue 12 and name HN) 5562800.0
assign (residue 12 and name HB2) (residue 12 and name HB1) 13359000.0
assign (residue 12 and name HB2) (residue 12 and name HN) 14284000.0
assign (residue 12 and name HN) (residue 11 and name HG2#) 3629200.0
assign (residue 12 and name HN) (residue 12 and name HB1) 2516000.0
assign (residue 12 and name HN) (residue 12 and name HB2) 3617100.0
assign (residue 13 and name HA) (residue 13 and name HN) 1851400.0
assign (residue 13 and name HA) (residue 14 and name HN) 16752000.0
assign (residue 13 and name HB1) (residue 13 and name HD1#) 4973400.0
assign (residue 13 and name HB1) (residue 13 and name HN) 7332800.0
assign (residue 13 and name HB1) (residue 25 and name HG1#) 6383100.0
assign (residue 13 and name HB1) (residue 25 and name HN) 1637500.0
assign (residue 13 and name HB2) (residue 13 and name HD1#) 19171000.0
assign (residue 13 and name HB2) (residue 13 and name HD2#) 3676200.0
assign (residue 13 and name HB2) (residue 13 and name HN) 4734800.0
assign (residue 13 and name HB2) (residue 14 and name HN) 4266000.0
assign (residue 13 and name HB2) (residue 25 and name HG1#) 5699300.0
assign (residue 13 and name HD1#) (residue 14 and name HN) 1004800.0
assign (residue 13 and name HN) (residue 13 and name HB2) 4155800.0
assign (residue 13 and name HN) (residue 25 and name HG1#) 2739500.0
assign (residue 14 and name HA) (residue 14 and name HB2) 3433400.0
assign (residue 14 and name HA) (residue 14 and name HN) 5023400.0
assign (residue 14 and name HA) (residue 15 and name HN) 9205200.0
assign (residue 14 and name HA) (residue 22 and name HA) 2650600.0
assign (residue 14 and name HB1) (residue 14 and name HN) 12563000.0
assign (residue 14 and name HB1) (residue 15 and name HN) 3643500.0
assign (residue 14 and name HB2) (residue 14 and name HA) 1028700.0
assign (residue 14 and name HB2) (residue 14 and name HN) 1181900.0
assign (residue 14 and name HB2) (residue 15 and name HN) 1071600.0
assign (residue 14 and name HN) (residue 13 and name HB2) 3842600.0
assign (residue 14 and name HN) (residue 14 and name HB1) 1135200.0
assign (residue 14 and name HN) (residue 14 and name HB2) 4532800.0
assign (residue 15 and name HA) (residue 15 and name HG2#) 9742000.0
assign (residue 15 and name HA) (residue 16 and name HN) 6322500.0
assign (residue 15 and name HA) (residue 17 and name HN) 2330800.0
assign (residue 15 and name HB) (residue 15 and name HG2#) 6350800.0
assign (residue 15 and name HB) (residue 15 and name HN) 3293600.0
assign (residue 15 and name HB) (residue 16 and name HN) 9086300.0
assign (residue 15 and name HG2#) (residue 15 and name HN) 4271800.0
assign (residue 15 and name HG2#) (residue 16 and name HN) 1206600.0
assign (residue 15 and name HN) (residue 14 and name HB2) 1573100.0
assign (residue 15 and name HN) (residue 14 and name HN) 5869400.0
assign (residue 15 and name HN) (residue 15 and name HG2#) 3378100.0
assign (residue 15 and name HN) (residue 21 and name HN) 1375700.0
assign (residue 16 and name HA) (residue 16 and name HN) 4163900.0
assign (residue 16 and name HA) (residue 17 and name HN) 3634700.0
assign (residue 16 and name HB1) (residue 16 and name HG2) 14002000.0
assign (residue 16 and name HB1) (residue 16 and name HN) 2710500.0
assign (residue 16 and name HG2) (residue 16 and name HN) 1270700.0
assign (residue 16 and name HN) (residue 15 and name HG2#) 3878300.0
assign (residue 16 and name HN) (residue 16 and name HB1) 1567100.0
assign (residue 16 and name HN) (residue 16 and name HG2) 2408000.0
assign (residue 16 and name HN) (residue 17 and name HN) 2603800.0
assign (residue 17 and name HA) (residue 17 and name HB1) 4329000.0
assign (residue 17 and name HA) (residue 17 and name HN) 3258500.0
assign (residue 17 and name HA) (residue 18 and name HN) 10311000.0
assign (residue 17 and name HB1) (residue 18 and name HN) 2867400.0
assign (residue 17 and name HB2) (residue 17 and name HN) 1638200.0
assign (residue 17 and name HB2) (residue 18 and name HN) 2749400.0
assign (residue 17 and name HN) (residue 16 and name HN) 3445200.0
assign (residue 18 and name HA) (residue 18 and name HN) 3394400.0
assign (residue 18 and name HB1) (residue 18 and name HN) 1940000.0
assign (residue 18 and name HB2) (residue 18 and name HN) 4267900.0
assign (residue 18 and name HE21) (residue 18 and name HE22) 16899000.0
assign (residue 18 and name HE22) (residue 18 and name HE21) 21966000.0
assign (residue 18 and name HG#) (residue 18 and name HN) 1083400.0
assign (residue 18 and name HN) (residue 18 and name HB2) 5217600.0
assign (residue 19 and name HA) (residue 18 and name HN) 1114400.0
assign (residue 19 and name HA) (residue 19 and name HN) 6047900.0
assign (residue 19 and name HB1) (residue 19 and name HB2) 14947000.0
assign (residue 19 and name HB2) (residue 19 and name HB1) 13210000.0
assign (residue 2 and name HA) (residue 3 and name HN) 9165800.0
assign (residue 2 and name HB1) (residue 2 and name HN) 1373800.0
assign (residue 20 and name HA) (residue 20 and name HB1) 4909800.0
assign (residue 20 and name HA) (residue 21 and name HN) 8324300.0
assign (residue 20 and name HB1) (residue 21 and name HN) 1647600.0
assign (residue 20 and name HG#) (residue 21 and name HN) 2714800.0
assign (residue 21 and name HA) (residue 22 and name HN) 11311000.0
assign (residue 21 and name HB) (residue 15 and name HN) 4698600.0
assign (residue 21 and name HB) (residue 21 and name HN) 2787200.0
assign (residue 21 and name HB) (residue 22 and name HN) 1073000.0
assign (residue 21 and name HG2#) (residue 15 and name HN) 2133300.0
assign (residue 21 and name HG2#) (residue 21 and name HN) 1937200.0
assign (residue 21 and name HG2#) (residue 22 and name HN) 2386700.0
assign (residue 21 and name HG2#) (residue 54 and name HN) 1522100.0
assign (residue 21 and name HN) (residue 15 and name HG2#) 1214800.0
assign (residue 21 and name HN) (residue 15 and name HN) 1244900.0
assign (residue 21 and name HN) (residue 20 and name HG#) 1428900.0
assign (residue 21 and name HN) (residue 21 and name HG2#) 1058900.0
assign (residue 22 and name HA) (residue 14 and name HA) 2418700.0
assign (residue 22 and name HA) (residue 15 and name HN) 4187600.0
assign (residue 22 and name HA) (residue 22 and name HB1) 1355400.0
assign (residue 22 and name HA) (residue 22 and name HB2) 2276000.0
assign (residue 22 and name HA) (residue 22 and name HN) 1390300.0
assign (residue 22 and name HA) (residue 23 and name HN) 12710000.0
assign (residue 22 and name HB1) (residue 22 and name HN) 4225600.0
assign (residue 22 and name HB2) (residue 22 and name HN) 1321300.0
assign (residue 22 and name HB2) (residue 23 and name HN) 6619600.0
assign (residue 22 and name HN) (residue 21 and name HG2#) 1769400.0
assign (residue 22 and name HN) (residue 22 and name HB1) 1585500.0
assign (residue 22 and name HN) (residue 22 and name HB2) 2413700.0
assign (residue 22 and name HN) (residue 54 and name HN) 1845000.0
assign (residue 23 and name HA) (residue 23 and name HB1) 6671300.0
assign (residue 23 and name HA) (residue 23 and name HN) 5562800.0
assign (residue 23 and name HA) (residue 24 and name HN) 15713000.0
assign (residue 23 and name HB1) (residue 23 and name HH1#) 2437000.0
assign (residue 23 and name HB1) (residue 23 and name HN) 1839800.0
assign (residue 23 and name HB1) (residue 24 and name HN) 2459700.0
assign (residue 23 and name HD#) (residue 23 and name HH1#) 10433000.0
assign (residue 23 and name HD#) (residue 23 and name HH2#) 5629900.0
assign (residue 23 and name HG2) (residue 23 and name HH1#) 1903400.0
assign (residue 23 and name HG2) (residue 23 and name HN) 3111600.0
assign (residue 23 and name HG2) (residue 24 and name HN) 1730700.0
assign (residue 23 and name HH1#) (residue 23 and name HB1) 1934700.0
assign (residue 23 and name HH1#) (residue 23 and name HD#) 5824900.0
assign (residue 23 and name HH1#) (residue 23 and name HG2) 3265400.0
assign (residue 23 and name HH1#) (residue 23 and name HH2#) 3208900.0
assign (residue 23 and name HH2#) (residue 23 and name HD#) 8337200.0
assign (residue 23 and name HH2#) (residue 23 and name HH1#) 13175000.0
assign (residue 23 and name HH2#) (residue 25 and name HG1#) 4229800.0
assign (residue 23 and name HN) (residue 13 and name HN) 17309000.0
assign (residue 23 and name HN) (residue 22 and name HB2) 4633100.0
assign (residue 24 and name HA) (residue 13 and name HN) 3870200.0
assign (residue 24 and name HA) (residue 24 and name HN) 3556500.0
assign (residue 24 and name HA) (residue 25 and name HN) 14069000.0
assign (residue 24 and name HA) (residue 26 and name HN) 1542500.0
assign (residue 24 and name HB#) (residue 24 and name HN) 8782700.0
assign (residue 24 and name HN) (residue 23 and name HB1) 1627400.0
assign (residue 24 and name HN) (residue 23 and name HG2) 1155700.0
assign (residue 24 and name HN) (residue 24 and name HB#) 3690900.0
assign (residue 25 and name HA) (residue 25 and name HN) 7282000.0
assign (residue 25 and name HA) (residue 26 and name HN) 2848900.0
assign (residue 25 and name HB) (residue 25 and name HN) 1201400.0
assign (residue 25 and name HG1#) (residue 13 and name HN) 5244100.0
assign (residue 25 and name HG1#) (residue 23 and name HH2#) 1998100.0
assign (residue 25 and name HG1#) (residue 25 and name HN) 11648000.0
assign (residue 25 and name HG2#) (residue 25 and name HN) 9231000.0
assign (residue 25 and name HG2#) (residue 26 and name HN) 1892400.0
assign (residue 25 and name HN) (residue 25 and name HB) 2230600.0
assign (residue 25 and name HN) (residue 26 and name HN) 7149500.0
assign (residue 26 and name HA) (residue 26 and name HN) 4385300.0
assign (residue 26 and name HA) (residue 27 and name HN) 8938600.0
assign (residue 26 and name HB#) (residue 27 and name HN) 6292400.0
assign (residue 26 and name HN) (residue 25 and name HG2#) 2780900.0
assign (residue 26 and name HN) (residue 25 and name HN) 7733500.0
assign (residue 26 and name HN) (residue 26 and name HB#) 5076700.0
assign (residue 27 and name HA) (residue 27 and name HN) 1899100.0
assign (residue 27 and name HA) (residue 28 and name HN) 23558000.0
assign (residue 27 and name HA) (residue 48 and name HN) 2689900.0
assign (residue 27 and name HB) (residue 27 and name HN) 12385000.0
assign (residue 27 and name HB) (residue 28 and name HN) 1658000.0
assign (residue 27 and name HG1#) (residue 27 and name HN) 8774100.0
assign (residue 27 and name HG1#) (residue 28 and name HN) 5289300.0
assign (residue 27 and name HG1#) (residue 48 and name HN) 2109700.0
assign (residue 27 and name HG1#) (residue 49 and name HE21) 2629500.0
assign (residue 27 and name HG1#) (residue 49 and name HE22) 1204100.0
assign (residue 27 and name HG2#) (residue 27 and name HN) 4038100.0
assign (residue 27 and name HG2#) (residue 28 and name HN) 5993100.0
assign (residue 27 and name HG2#) (residue 47 and name HN) 1949000.0
assign (residue 27 and name HG2#) (residue 48 and name HN) 4280800.0
assign (residue 27 and name HN) (residue 26 and name HB#) 3459700.0
assign (residue 27 and name HN) (residue 27 and name HG1#) 7995900.0
assign (residue 28 and name HA) (residue 28 and name HN) 3563200.0
assign (residue 28 and name HA) (residue 29 and name HN) 9455900.0
assign (residue 28 and name HB1) (residue 28 and name HH1#) 2107000.0
assign (residue 28 and name HB1) (residue 28 and name HN) 3651700.0
assign (residue 28 and name HB2) (residue 28 and name HH1#) 1052700.0
assign (residue 28 and name HB2) (residue 28 and name HN) 5795300.0
assign (residue 28 and name HD1) (residue 28 and name HN) 4749000.0
assign (residue 28 and name HD2) (residue 28 and name HH1#) 8219900.0
assign (residue 28 and name HD2) (residue 29 and name HN) 3687500.0
assign (residue 28 and name HG#) (residue 28 and name HH1#) 4222800.0
assign (residue 28 and name HG#) (residue 28 and name HN) 4753300.0
assign (residue 28 and name HG#) (residue 29 and name HN) 1458100.0
assign (residue 28 and name HG#) (residue 30 and name HN) 1354400.0
assign (residue 28 and name HH1#) (residue 28 and name HD2) 4163200.0
assign (residue 28 and name HH1#) (residue 28 and name HG#) 8242100.0
assign (residue 28 and name HN) (residue 27 and name HG1#) 2606700.0
assign (residue 28 and name HN) (residue 28 and name HB1) 4003000.0
assign (residue 28 and name HN) (residue 28 and name HD1) 1857400.0
assign (residue 28 and name HN) (residue 28 and name HG#) 3178200.0
assign (residue 28 and name HN) (residue 48 and name HN) 4305200.0
assign (residue 29 and name HA) (residue 29 and name HN) 3507500.0
assign (residue 29 and name HA) (residue 30 and name HN) 2050700.0
assign (residue 29 and name HB1) (residue 29 and name HN) 9859800.0
assign (residue 29 and name HB1) (residue 30 and name HN) 1734700.0
assign (residue 29 and name HB2) (residue 29 and name HN) 15586000.0
assign (residue 29 and name HB2) (residue 30 and name HN) 5061700.0
assign (residue 29 and name HG#) (residue 29 and name HN) 10478000.0
assign (residue 29 and name HG#) (residue 30 and name HN) 1821400.0
assign (residue 29 and name HN) (residue 28 and name HB1) 16881000.0
assign (residue 29 and name HN) (residue 29 and name HG#) 5169900.0
assign (residue 29 and name HN) (residue 30 and name HN) 6339000.0
assign (residue 3 and name HA) (residue 4 and name HN) 8740100.0
assign (residue 3 and name HB1) (residue 3 and name HN) 3813700.0
assign (residue 3 and name HB2) (residue 3 and name HN) 2170000.0
assign (residue 3 and name HB2) (residue 4 and name HN) 1038800.0
assign (residue 3 and name HN) (residue 2 and name HB1) 1574400.0
assign (residue 3 and name HN) (residue 3 and name HB2) 1562800.0
assign (residue 3 and name HN) (residue 4 and name HN) 6032000.0
assign (residue 30 and name HA) (residue 30 and name HB#) 3841900.0
assign (residue 30 and name HA) (residue 30 and name HN) 4173500.0
assign (residue 30 and name HA) (residue 48 and name HB2) 2104300.0
assign (residue 30 and name HB#) (residue 30 and name HN) 2330000.0
assign (residue 30 and name HB#) (residue 31 and name HN) 13193000.0
assign (residue 30 and name HN) (residue 28 and name HB1) 5476800.0
assign (residue 30 and name HN) (residue 28 and name HB2) 2305700.0
assign (residue 30 and name HN) (residue 28 and name HG#) 1597800.0
assign (residue 30 and name HN) (residue 29 and name HB1) 1472300.0
assign (residue 30 and name HN) (residue 29 and name HB2) 2570000.0
assign (residue 30 and name HN) (residue 29 and name HN) 6721900.0
assign (residue 30 and name HN) (residue 31 and name HN) 1070600.0
assign (residue 31 and name HA) (residue 31 and name HB1) 3773200.0
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assign (residue 56 and name HD#) (residue 55 and name HG#) 2501600.0
assign (residue 56 and name HD#) (residue 56 and name HB#) 8226500.0
assign (residue 56 and name HD#) (residue 56 and name HE#) 23282000.0
assign (residue 56 and name HD#) (residue 56 and name HZ) 2110000.0
assign (residue 56 and name HD#) (residue 57 and name HN) 3847100.0
assign (residue 56 and name HE#) (residue 56 and name HD#) 11657000.0
assign (residue 56 and name HE#) (residue 56 and name HZ) 15483000.0
assign (residue 56 and name HN) (residue 55 and name HN) 1016500.0
assign (residue 56 and name HN) (residue 56 and name HB#) 1097800.0
assign (residue 56 and name HZ) (residue 56 and name HE#) 10678000.0
assign (residue 57 and name HA) (residue 58 and name HN) 14682000.0
assign (residue 57 and name HB1) (residue 57 and name HN) 4292800.0
assign (residue 57 and name HB2) (residue 57 and name HN) 7162500.0
assign (residue 57 and name HN) (residue 56 and name HB#) 8167500.0
assign (residue 57 and name HN) (residue 56 and name HD#) 2712200.0
assign (residue 57 and name HN) (residue 57 and name HB1) 2242800.0
assign (residue 57 and name HN) (residue 57 and name HB2) 3934000.0
assign (residue 58 and name HA) (residue 58 and name HD#) 7051500.0
assign (residue 58 and name HA) (residue 59 and name HN) 14334000.0
assign (residue 58 and name HB1) (residue 58 and name HB2) 23179000.0
assign (residue 58 and name HB1) (residue 58 and name HD#) 4983200.0
assign (residue 58 and name HB1) (residue 58 and name HN) 4283200.0
assign (residue 58 and name HB1) (residue 59 and name HN) 6813000.0
assign (residue 58 and name HB2) (residue 58 and name HB1) 14912000.0
assign (residue 58 and name HB2) (residue 58 and name HD#) 5243900.0
assign (residue 58 and name HB2) (residue 58 and name HE#) 2265800.0
assign (residue 58 and name HB2) (residue 58 and name HN) 6250800.0
assign (residue 58 and name HB2) (residue 59 and name HN) 3508900.0
assign (residue 58 and name HB2) (residue 9 and name HN) 1499100.0
assign (residue 58 and name HD#) (residue 58 and name HB1) 2900500.0
assign (residue 58 and name HD#) (residue 58 and name HB2) 3637400.0
assign (residue 58 and name HD#) (residue 58 and name HE#) 18227000.0
assign (residue 58 and name HD#) (residue 58 and name HN) 3017900.0
assign (residue 58 and name HD#) (residue 59 and name HN) 1685300.0
assign (residue 58 and name HD#) (residue 7 and name HB#) 3358000.0
assign (residue 58 and name HE#) (residue 58 and name HD#) 20297000.0
assign (residue 58 and name HE#) (residue 7 and name HB#) 3515400.0
assign (residue 58 and name HN) (residue 57 and name HB1) 2064400.0
assign (residue 58 and name HN) (residue 57 and name HB2) 1299900.0
assign (residue 58 and name HN) (residue 57 and name HN) 4139400.0
assign (residue 58 and name HN) (residue 58 and name HB1) 2120500.0
assign (residue 58 and name HN) (residue 58 and name HB2) 4988900.0
assign (residue 58 and name HN) (residue 58 and name HD#) 4213500.0
assign (residue 59 and name HA) (residue 59 and name HN) 16167000.0
assign (residue 59 and name HA) (residue 60 and name HN) 17305000.0
assign (residue 59 and name HB1) (residue 59 and name HN) 7018600.0
assign (residue 59 and name HB1) (residue 60 and name HN) 9148600.0
assign (residue 59 and name HB2) (residue 59 and name HN) 5323900.0
assign (residue 59 and name HE#) (residue 59 and name HN) 2134000.0
assign (residue 59 and name HG1) (residue 59 and name HN) 4438800.0
assign (residue 59 and name HG2) (residue 59 and name HN) 2833900.0
assign (residue 59 and name HN) (residue 58 and name HB1) 3682400.0
assign (residue 59 and name HN) (residue 58 and name HB2) 2829600.0
assign (residue 59 and name HN) (residue 58 and name HD#) 1288700.0
assign (residue 59 and name HN) (residue 59 and name HB2) 8344400.0
assign (residue 59 and name HN) (residue 59 and name HD#) 1048000.0
assign (residue 6 and name HA) (residue 7 and name HN) 11997000.0
assign (residue 6 and name HB#) (residue 6 and name HN) 5632900.0
assign (residue 6 and name HB#) (residue 7 and name HN) 4146800.0
assign (residue 6 and name HN) (residue 5 and name HN) 5830000.0
assign (residue 60 and name HA) (residue 60 and name HN) 4625500.0
assign (residue 60 and name HA) (residue 61 and name HN) 16708000.0
assign (residue 60 and name HA) (residue 9 and name HN) 3325400.0
assign (residue 60 and name HB#) (residue 60 and name HN) 17578000.0
assign (residue 60 and name HB#) (residue 61 and name HN) 6742100.0
assign (residue 60 and name HN) (residue 59 and name HB1) 5006300.0
assign (residue 60 and name HN) (residue 59 and name HB2) 4049300.0
assign (residue 60 and name HN) (residue 60 and name HB#) 16737000.0
assign (residue 60 and name HN) (residue 61 and name HN) 1414400.0
assign (residue 61 and name HA) (residue 61 and name HN) 8393100.0
assign (residue 61 and name HA) (residue 62 and name HN) 7063800.0
assign (residue 61 and name HB#) (residue 61 and name HN) 11635000.0
assign (residue 61 and name HB#) (residue 62 and name HD2) 2751300.0
assign (residue 61 and name HN) (residue 60 and name HB#) 5990900.0
assign (residue 61 and name HN) (residue 61 and name HB#) 5052800.0
assign (residue 61 and name HN) (residue 62 and name HN) 6040400.0
assign (residue 61 and name HN) (residue 9 and name HN) 2043400.0
assign (residue 62 and name HA) (residue 61 and name HN) 1139100.0
assign (residue 62 and name HA) (residue 62 and name HE1) 1065300.0
assign (residue 62 and name HA) (residue 62 and name HN) 4278000.0
assign (residue 62 and name HB1) (residue 62 and name HE1) 1554000.0
assign (residue 62 and name HB1) (residue 62 and name HN) 8767700.0
assign (residue 62 and name HB1) (residue 63 and name HN ) 3052000.0
assign (residue 62 and name HB2) (residue 62 and name HE1) 1098400.0
assign (residue 62 and name HB2) (residue 62 and name HN) 1512400.0
assign (residue 62 and name HB2) (residue 63 and name HN ) 2102800.0
assign (residue 62 and name HN) (residue 61 and name HN) 4311200.0
assign (residue 62 and name HN) (residue 62 and name HB1) 3481400.0
assign (residue 63 and name HA) (residue 63 and name HN ) 24257000.0
assign (residue 63 and name HA) (residue 64 and name HN) 7993000.0
assign (residue 63 and name HB1) (residue 63 and name HN) 2085900.0
assign (residue 63 and name HB1) (residue 64 and name HN) 2854600.0
assign (residue 63 and name HB2) (residue 63 and name HN ) 3168700.0
assign (residue 63 and name HD21) (residue 63 and name HB2) 1007300.0
assign (residue 63 and name HD21) (residue 63 and name HD22) 40145000.0
assign (residue 63 and name HD22) (residue 63 and name HD21) 54522000.0
assign (residue 63 and name HN ) (residue 63 and name HB2) 1444600.0
assign (residue 63 and name HN) (residue 63 and name HB1) 1285400.0
assign (residue 63 and name HN) (residue 64 and name HN) 13988000.0
assign (residue 64 and name HA) (residue 64 and name HN) 2348400.0
assign (residue 64 and name HA) (residue 65 and name HN) 6898500.0
assign (residue 64 and name HB#) (residue 64 and name HN) 15525000.0
assign (residue 64 and name HN) (residue 63 and name HB1) 1287000.0
assign (residue 64 and name HN) (residue 63 and name HN) 14055000.0
assign (residue 65 and name HA) (residue 66 and name HN) 6935900.0
assign (residue 65 and name HB1) (residue 66 and name HN) 1112400.0
assign (residue 65 and name HB2) (residue 65 and name HN) 4093400.0
assign (residue 65 and name HB2) (residue 66 and name HN) 1314600.0
assign (residue 65 and name HG#) (residue 65 and name HN) 2624000.0
assign (residue 65 and name HN) (residue 65 and name HB2) 4000200.0
assign (residue 65 and name HN) (residue 66 and name HN) 4105300.0
assign (residue 66 and name HA) (residue 67 and name HN) 5230800.0
assign (residue 66 and name HB) (residue 66 and name HN) 2995500.0
assign (residue 66 and name HG11) (residue 66 and name HN) 1671600.0
assign (residue 66 and name HG12) (residue 66 and name HN) 1229300.0
assign (residue 66 and name HG2#) (residue 66 and name HN) 7128500.0
assign (residue 66 and name HG2#) (residue 67 and name HN) 2041400.0
assign (residue 66 and name HN) (residue 65 and name HB1) 3137100.0
assign (residue 66 and name HN) (residue 65 and name HN) 4832000.0
assign (residue 66 and name HN) (residue 66 and name HB) 3276700.0
assign (residue 66 and name HN) (residue 66 and name HG11) 2724500.0
assign (residue 66 and name HN) (residue 66 and name HG12) 1900200.0
assign (residue 67 and name HB1) (residue 67 and name HN) 1035700.0
assign (residue 67 and name HB2) (residue 67 and name HN) 1125100.0
assign (residue 67 and name HG#) (residue 67 and name HN) 1736200.0
assign (residue 67 and name HN) (residue 66 and name HB) 9762000.0
assign (residue 67 and name HN) (residue 67 and name HB2) 2607800.0
assign (residue 7 and name HA) (residue 7 and name HN) 4024100.0
assign (residue 7 and name HA) (residue 8 and name HN) 14932000.0
assign (residue 7 and name HB#) (residue 58 and name HD#) 4861800.0
assign (residue 7 and name HB#) (residue 58 and name HE#) 2055200.0
assign (residue 7 and name HB#) (residue 7 and name HN) 8759700.0
assign (residue 7 and name HB#) (residue 8 and name HN) 3730400.0
assign (residue 7 and name HN) (residue 7 and name HB#) 8596000.0
assign (residue 8 and name HA) (residue 58 and name HD#) 1086400.0
assign (residue 8 and name HA) (residue 8 and name HB1) 9598500.0
assign (residue 8 and name HA) (residue 8 and name HB2) 6590800.0
assign (residue 8 and name HA) (residue 9 and name HN) 10137000.0
assign (residue 8 and name HB2) (residue 61 and name HN) 1891300.0
assign (residue 8 and name HN) (residue 7 and name HB#) 3606900.0
assign (residue 8 and name HN) (residue 7 and name HN) 3025400.0
assign (residue 9 and name HA) (residue 10 and name HN) 4928700.0
assign (residue 9 and name HA) (residue 9 and name HN) 2813200.0
assign (residue 9 and name HB#) (residue 58 and name HD#) 1396000.0
assign (residue 9 and name HB#) (residue 58 and name HN) 2839600.0
assign (residue 9 and name HB#) (residue 9 and name HN) 14167000.0
assign (residue 9 and name HN) (residue 58 and name HB2) 1623000.0
assign (residue 9 and name HN) (residue 61 and name HN) 1494600.0
assign (residue 9 and name HN) (residue 9 and name HB#) 6618000.0


** reference cross-peaks for tmix 120ms **
assign (residue 58 and name HE#) (residue 58 and name HD#) 36124000.0
assign (residue 51 and name HE#) (residue 51 and name HD#) 42521000.0
assign (residue 10 and name HB1) (residue 10 and name HB2) 63114000.0
assign (residue 10 and name HB2) (residue 10 and name HB1) 37232000.0
assign (residue 12 and name HB1) (residue 12 and name HB2) 35265000.0
assign (residue 12 and name HB2) (residue 12 and name HB1) 22581000.0
assign (residue 31 and name HB1) (residue 31 and name HB2) 43120000.0
assign (residue 31 and name HB2) (residue 31 and name HB1) 19401000.0
assign (residue 32 and name HB1) (residue 32 and name HB2) 30007000.0
assign (residue 32 and name HB2) (residue 32 and name HB1) 31026000.0
assign (residue 35 and name HB1) (residue 35 and name HB2) 46804000.0
assign (residue 35 and name HB2) (residue 35 and name HB1) 41846000.0
assign (residue 37 and name HB1) (residue 37 and name HB2) 86807000.0
assign (residue 37 and name HB2) (residue 37 and name HB1) 63293000.0
assign (residue 42 and name HB1) (residue 42 and name HB2) 46506000.0
assign (residue 42 and name HB2) (residue 42 and name HB1) 36146000.0
assign (residue 43 and name HB1) (residue 43 and name HB2) 14397000.0
assign (residue 43 and name HB2) (residue 43 and name HB1) 9412500.0
assign (residue 44 and name HB2) (residue 44 and name HB1) 41464000.0
assign (residue 51 and name HB1) (residue 51 and name HB2) 54016000.0
assign (residue 51 and name HB2) (residue 51 and name HB1) 33427000.0
assign (residue 57 and name HB1) (residue 57 and name HB2) 43772000.0
assign (residue 57 and name HB2) (residue 57 and name HB1) 46373000.0
assign (residue 58 and name HB1) (residue 58 and name HB2) 50801000.0
assign (residue 58 and name HB2) (residue 58 and name HB1) 29192000.0
assign (residue 62 and name HB2) (residue 62 and name HB1) 37673000.0

** cross-peak volumes for tmix 120ms **

error_input
    input=uniform  mode=relative  value=  0.1
 end
assign (residue 10 and name HA) (residue 61 and name HN) 6449100.0
assign (residue 10 and name HB1) (residue 10 and name HB2) 63114000.0
assign (residue 10 and name HB1) (residue 11 and name HN) 8314200.0
assign (residue 10 and name HB2) (residue 10 and name HB1) 37232000.0
assign (residue 10 and name HB2) (residue 11 and name HN) 5068200.0
assign (residue 10 and name HN) (residue 11 and name HN) 11076000.0
assign (residue 11 and name HA) (residue 11 and name HN) 7299000.0
assign (residue 11 and name HA) (residue 12 and name HN) 39600000.0
assign (residue 11 and name HB) (residue 11 and name HN) 9324000.0
assign (residue 11 and name HB) (residue 25 and name HN) 1751900.0
assign (residue 11 and name HG2#) (residue 12 and name HN) 6561000.0
assign (residue 11 and name HG2#) (residue 25 and name HG2#) 29268000.0
assign (residue 11 and name HG2#) (residue 25 and name HN) 1648300.0
assign (residue 11 and name HN) (residue 10 and name HN) 8733000.0
assign (residue 12 and name HA) (residue 12 and name HN) 9644100.0
assign (residue 12 and name HA) (residue 13 and name HN) 29594000.0
assign (residue 12 and name HA) (residue 25 and name HN) 3786500.0
assign (residue 12 and name HB1) (residue 12 and name HB2) 35265000.0
assign (residue 12 and name HB1) (residue 12 and name HN) 6581000.0
assign (residue 12 and name HB2) (residue 12 and name HB1) 22581000.0
assign (residue 12 and name HN) (residue 11 and name HG2#) 7152100.0
assign (residue 12 and name HN) (residue 12 and name HB2) 4024800.0
assign (residue 13 and name HA) (residue 13 and name HB1) 7655300.0
assign (residue 13 and name HA) (residue 13 and name HB2) 8786000.0
assign (residue 13 and name HA) (residue 14 and name HN) 32459000.0
assign (residue 13 and name HB1) (residue 13 and name HD1#) 13796000.0
assign (residue 13 and name HB1) (residue 13 and name HD2#) 10177000.0
assign (residue 13 and name HB1) (residue 25 and name HG1#) 12056000.0
assign (residue 13 and name HB2) (residue 13 and name HD1#) 19491000.0
assign (residue 13 and name HB2) (residue 13 and name HD2#) 13905000.0
assign (residue 13 and name HB2) (residue 25 and name HG1#) 15743000.0
assign (residue 14 and name HA) (residue 14 and name HN) 9773900.0
assign (residue 14 and name HA) (residue 15 and name HN) 21421000.0
assign (residue 14 and name HB1) (residue 14 and name HN) 13231000.0
assign (residue 14 and name HB1) (residue 15 and name HN) 6104400.0
assign (residue 14 and name HB2) (residue 14 and name HN) 4313400.0
assign (residue 14 and name HB2) (residue 15 and name HN) 3122300.0
assign (residue 15 and name HA) (residue 15 and name HG2#) 16282000.0
assign (residue 15 and name HB) (residue 15 and name HG2#) 11621000.0
assign (residue 15 and name HG2#) (residue 15 and name HN) 9707600.0
assign (residue 15 and name HG2#) (residue 16 and name HN) 20716000.0
assign (residue 15 and name HG2#) (residue 21 and name HN) 2409400.0
assign (residue 15 and name HN) (residue 15 and name HG2#) 11372000.0
assign (residue 15 and name HN) (residue 21 and name HN) 4206700.0
assign (residue 16 and name HA) (residue 17 and name HN) 6103600.0
assign (residue 16 and name HB1) (residue 16 and name HG2) 14836000.0
assign (residue 16 and name HB1) (residue 16 and name HN) 5103700.0
assign (residue 16 and name HD#) (residue 16 and name HH1#) 6449400.0
assign (residue 16 and name HG2) (residue 16 and name HN) 2750300.0
assign (residue 16 and name HN) (residue 17 and name HN) 5837100.0
assign (residue 17 and name HA) (residue 17 and name HN) 10333000.0
assign (residue 17 and name HB1) (residue 17 and name HN) 2155000.0
assign (residue 17 and name HB1) (residue 18 and name HN) 11586000.0
assign (residue 17 and name HB2) (residue 17 and name HN) 3745700.0
assign (residue 17 and name HB2) (residue 18 and name HN) 5915700.0
assign (residue 17 and name HN) (residue 16 and name HN) 6542600.0
assign (residue 17 and name HN) (residue 18 and name HN) 2072400.0
assign (residue 18 and name HB1) (residue 18 and name HN) 7487300.0
assign (residue 18 and name HB2) (residue 18 and name HN) 7721000.0
assign (residue 18 and name HE21) (residue 18 and name HE22) 36359000.0
assign (residue 18 and name HE22) (residue 18 and name HE21) 52668000.0
assign (residue 18 and name HN) (residue 18 and name HB2) 3289800.0
assign (residue 19 and name HA) (residue 19 and name HB2) 7646700.0
assign (residue 2 and name HA) (residue 2 and name HN) 3601800.0
assign (residue 2 and name HB1) (residue 3 and name HN) 1730300.0
assign (residue 20 and name HA) (residue 17 and name HN) 2538600.0
assign (residue 20 and name HA) (residue 21 and name HN) 17983000.0
assign (residue 20 and name HD1) (residue 20 and name HD2) 15569000.0
assign (residue 21 and name HA) (residue 21 and name HN) 5801400.0
assign (residue 21 and name HA) (residue 22 and name HN) 26799000.0
assign (residue 21 and name HB) (residue 15 and name HN) 6199400.0
assign (residue 21 and name HB) (residue 21 and name HN) 6371800.0
assign (residue 21 and name HB) (residue 22 and name HN) 5387600.0
assign (residue 21 and name HG2#) (residue 21 and name HN) 1705300.0
assign (residue 21 and name HG2#) (residue 22 and name HN) 5729800.0
assign (residue 21 and name HN) (residue 15 and name HN) 5589200.0
assign (residue 21 and name HN) (residue 21 and name HG2#) 1889200.0
assign (residue 22 and name HA) (residue 15 and name HN) 4296300.0
assign (residue 22 and name HA) (residue 22 and name HN) 2300600.0
assign (residue 22 and name HA) (residue 23 and name HN) 26248000.0
assign (residue 22 and name HN) (residue 21 and name HG2#) 4985700.0
assign (residue 22 and name HN) (residue 22 and name HB1) 2745500.0
assign (residue 22 and name HN) (residue 22 and name HB2) 2775900.0
assign (residue 22 and name HN) (residue 54 and name HN) 5766600.0
assign (residue 23 and name HA) (residue 23 and name HB1) 4598700.0
assign (residue 23 and name HA) (residue 23 and name HB2) 5724900.0
assign (residue 23 and name HA) (residue 23 and name HN) 8294000.0
assign (residue 23 and name HA) (residue 24 and name HN) 26349000.0
assign (residue 23 and name HB1) (residue 24 and name HN) 2232600.0
assign (residue 23 and name HB2) (residue 24 and name HN) 3705800.0
assign (residue 23 and name HD#) (residue 23 and name HH1#) 10832000.0
assign (residue 23 and name HG2) (residue 24 and name HN) 2149400.0
assign (residue 23 and name HH1#) (residue 23 and name HH2#) 4979300.0
assign (residue 23 and name HH2#) (residue 23 and name HH1#) 16056000.0
assign (residue 23 and name HH2#) (residue 25 and name HG1#) 4094100.0
assign (residue 24 and name HA) (residue 24 and name HN) 3460700.0
assign (residue 24 and name HA) (residue 25 and name HN) 23767000.0
assign (residue 24 and name HB#) (residue 24 and name HN) 16336000.0
assign (residue 24 and name HN) (residue 24 and name HB#) 8489700.0
assign (residue 25 and name HA) (residue 25 and name HB) 12975000.0
assign (residue 25 and name HG1#) (residue 13 and name HN) 2850200.0
assign (residue 25 and name HG1#) (residue 25 and name HN) 22065000.0
assign (residue 25 and name HG1#) (residue 26 and name HN) 1337000.0
assign (residue 25 and name HG2#) (residue 13 and name HN) 1390600.0
assign (residue 25 and name HG2#) (residue 25 and name HN) 13414000.0
assign (residue 25 and name HG2#) (residue 26 and name HN) 2629600.0
assign (residue 25 and name HN) (residue 25 and name HG2#) 21454000.0
assign (residue 25 and name HN) (residue 26 and name HN) 8799700.0
assign (residue 26 and name HA) (residue 26 and name HB#) 9027200.0
assign (residue 26 and name HA) (residue 26 and name HN) 6183100.0
assign (residue 26 and name HB#) (residue 26 and name HN) 12965000.0
assign (residue 26 and name HN) (residue 25 and name HN) 13293000.0
assign (residue 26 and name HN) (residue 26 and name HB#) 10659000.0
assign (residue 27 and name HB) (residue 27 and name HN) 22031000.0
assign (residue 27 and name HB) (residue 28 and name HN) 16856000.0
assign (residue 27 and name HG1#) (residue 27 and name HN) 13899000.0
assign (residue 27 and name HG1#) (residue 28 and name HN) 1818400.0
assign (residue 27 and name HG1#) (residue 49 and name HE21) 3718100.0
assign (residue 27 and name HG2#) (residue 27 and name HN) 9338100.0
assign (residue 27 and name HG2#) (residue 28 and name HN) 7682700.0
assign (residue 27 and name HG2#) (residue 48 and name HN) 5426200.0
assign (residue 27 and name HN) (residue 26 and name HN) 8455500.0
assign (residue 28 and name HA) (residue 28 and name HB1) 7494500.0
assign (residue 28 and name HA) (residue 28 and name HB2) 4283900.0
assign (residue 28 and name HA) (residue 28 and name HG#) 7051800.0
assign (residue 28 and name HA) (residue 28 and name HN) 5221600.0
assign (residue 28 and name HA) (residue 29 and name HN) 14533000.0
assign (residue 28 and name HB2) (residue 28 and name HN) 8774900.0
assign (residue 28 and name HD1) (residue 28 and name HN) 7419800.0
assign (residue 28 and name HD2) (residue 28 and name HH1#) 10510000.0
assign (residue 28 and name HG#) (residue 28 and name HN) 3575600.0
assign (residue 28 and name HH1#) (residue 28 and name HG#) 3840700.0
assign (residue 28 and name HN) (residue 48 and name HN) 10114000.0
assign (residue 29 and name HA) (residue 29 and name HN) 7499100.0
assign (residue 29 and name HA) (residue 30 and name HN) 6564500.0
assign (residue 29 and name HB1) (residue 29 and name HN) 13007000.0
assign (residue 29 and name HB1) (residue 30 and name HN) 2103000.0
assign (residue 29 and name HB2) (residue 30 and name HN) 7268500.0
assign (residue 29 and name HN) (residue 30 and name HN) 10497000.0
assign (residue 3 and name HA) (residue 4 and name HN) 11567000.0
assign (residue 3 and name HB1) (residue 3 and name HN) 1997300.0
assign (residue 3 and name HB2) (residue 3 and name HN) 4155500.0
assign (residue 3 and name HB2) (residue 4 and name HN) 3409400.0
assign (residue 3 and name HN) (residue 4 and name HN) 3234000.0
assign (residue 30 and name HA) (residue 30 and name HB#) 4233100.0
assign (residue 30 and name HA) (residue 30 and name HN) 5903300.0
assign (residue 30 and name HB#) (residue 30 and name HN) 3348500.0
assign (residue 30 and name HB#) (residue 31 and name HN) 20676000.0
assign (residue 30 and name HN) (residue 28 and name HB1) 7574500.0
assign (residue 30 and name HN) (residue 29 and name HN) 10901000.0
assign (residue 30 and name HN) (residue 31 and name HN) 2630200.0
assign (residue 31 and name HA) (residue 31 and name HB1) 2363200.0
assign (residue 31 and name HB1) (residue 31 and name HB2) 43120000.0
assign (residue 31 and name HB2) (residue 31 and name HB1) 19401000.0
assign (residue 32 and name HA) (residue 32 and name HB1) 3244700.0
assign (residue 32 and name HB1) (residue 32 and name HB2) 30007000.0
assign (residue 32 and name HB1) (residue 32 and name HN) 6558200.0
assign (residue 32 and name HB1) (residue 33 and name HN) 6093800.0
assign (residue 32 and name HB2) (residue 32 and name HB1) 31026000.0
assign (residue 32 and name HB2) (residue 32 and name HE1) 4900200.0
assign (residue 33 and name HA) (residue 33 and name HB#) 3317900.0
assign (residue 34 and name HA) (residue 35 and name HN) 11348000.0
assign (residue 34 and name HB#) (residue 34 and name HN) 17649000.0
assign (residue 34 and name HB#) (residue 35 and name HN) 4047800.0
assign (residue 34 and name HB#) (residue 7 and name HB#) 6099100.0
assign (residue 34 and name HN) (residue 34 and name HB#) 14914000.0
assign (residue 35 and name HA) (residue 35 and name HN) 7108800.0
assign (residue 35 and name HB1) (residue 35 and name HB2) 46804000.0
assign (residue 35 and name HB1) (residue 35 and name HN) 12653000.0
assign (residue 35 and name HB2) (residue 35 and name HB1) 41846000.0
assign (residue 35 and name HN) (residue 34 and name HB#) 2963500.0
assign (residue 35 and name HN) (residue 34 and name HN) 8125400.0
assign (residue 36 and name HN) (residue 37 and name HN) 8871200.0
assign (residue 37 and name HA) (residue 37 and name HN) 7161000.0
assign (residue 37 and name HB1) (residue 37 and name HB2) 86807000.0
assign (residue 37 and name HB1) (residue 37 and name HN) 6653000.0
assign (residue 37 and name HB1) (residue 51 and name HN) 2368000.0
assign (residue 37 and name HB2) (residue 37 and name HB1) 63293000.0
assign (residue 37 and name HN) (residue 36 and name HB1) 2527100.0
assign (residue 37 and name HN) (residue 37 and name HB1) 1710300.0
assign (residue 38 and name HA) (residue 38 and name HN) 3541000.0
assign (residue 39 and name HA) (residue 39 and name HG1#) 12848000.0
assign (residue 39 and name HA) (residue 39 and name HG2#) 12833000.0
assign (residue 39 and name HB) (residue 39 and name HG1#) 30294000.0
assign (residue 39 and name HB) (residue 39 and name HG2#) 28200000.0
assign (residue 39 and name HB) (residue 39 and name HN) 15922000.0
assign (residue 39 and name HB) (residue 51 and name HD#) 5182600.0
assign (residue 39 and name HG1#) (residue 39 and name HG2#) 41301000.0
assign (residue 39 and name HG1#) (residue 39 and name HN) 14857000.0
assign (residue 39 and name HG1#) (residue 51 and name HD#) 3608100.0
assign (residue 39 and name HG1#) (residue 51 and name HE#) 2647900.0
assign (residue 39 and name HG2#) (residue 39 and name HN) 12257000.0
assign (residue 39 and name HG2#) (residue 51 and name HD#) 4738900.0
assign (residue 39 and name HG2#) (residue 51 and name HE#) 1924400.0
assign (residue 39 and name HN) (residue 39 and name HB) 17835000.0
assign (residue 39 and name HN) (residue 39 and name HG1#) 12436000.0
assign (residue 39 and name HN) (residue 39 and name HG2#) 9324300.0
assign (residue 4 and name HA) (residue 4 and name HN) 4787000.0
assign (residue 4 and name HB) (residue 4 and name HN) 6740600.0
assign (residue 4 and name HB) (residue 5 and name HN) 3690800.0
assign (residue 4 and name HG#) (residue 4 and name HN) 8202400.0
assign (residue 4 and name HN) (residue 3 and name HN) 8100600.0
assign (residue 4 and name HN) (residue 4 and name HB) 7504200.0
assign (residue 4 and name HN) (residue 4 and name HG#) 7356800.0
assign (residue 4 and name HN) (residue 5 and name HN) 6754000.0
assign (residue 40 and name HA) (residue 40 and name HN) 5965600.0
assign (residue 40 and name HA) (residue 41 and name HN) 21613000.0
assign (residue 40 and name HA) (residue 49 and name HN) 3848200.0
assign (residue 40 and name HB1) (residue 40 and name HN) 9286000.0
assign (residue 40 and name HB2) (residue 41 and name HN) 8071000.0
assign (residue 41 and name HB#) (residue 41 and name HN) 19277000.0
assign (residue 41 and name HB#) (residue 42 and name HD#) 2879000.0
assign (residue 41 and name HB#) (residue 42 and name HN) 9450100.0
assign (residue 41 and name HB#) (residue 47 and name HN) 2391500.0
assign (residue 41 and name HN) (residue 41 and name HB#) 13628000.0
assign (residue 41 and name HN) (residue 47 and name HN) 6430600.0
assign (residue 42 and name HA) (residue 42 and name HB2) 7878000.0
assign (residue 42 and name HA) (residue 42 and name HD#) 5057200.0
assign (residue 42 and name HA) (residue 43 and name HN) 11477000.0
assign (residue 42 and name HB1) (residue 42 and name HB2) 46506000.0
assign (residue 42 and name HB1) (residue 42 and name HD#) 6795500.0
assign (residue 42 and name HB1) (residue 43 and name HN) 9250500.0
assign (residue 42 and name HB2) (residue 42 and name HB1) 36146000.0
assign (residue 42 and name HB2) (residue 42 and name HD#) 7367600.0
assign (residue 42 and name HB2) (residue 42 and name HN) 9385700.0
assign (residue 42 and name HD#) (residue 41 and name HB#) 2412200.0
assign (residue 42 and name HN) (residue 41 and name HB#) 7630000.0
assign (residue 42 and name HN) (residue 42 and name HB2) 3733400.0
assign (residue 43 and name HA) (residue 43 and name HB2) 3662900.0
assign (residue 43 and name HA) (residue 43 and name HN) 4315900.0
assign (residue 43 and name HB1) (residue 43 and name HB2) 14397000.0
assign (residue 43 and name HB1) (residue 43 and name HN) 1504200.0
assign (residue 43 and name HB2) (residue 43 and name HB1) 9412500.0
assign (residue 43 and name HB2) (residue 43 and name HN) 3153000.0
assign (residue 43 and name HN) (residue 44 and name HN) 9271600.0
assign (residue 44 and name HA) (residue 44 and name HB2) 6582000.0
assign (residue 44 and name HA) (residue 44 and name HN) 11240000.0
assign (residue 44 and name HB1) (residue 44 and name HD21) 4000800.0
assign (residue 44 and name HB1) (residue 44 and name HN) 6831800.0
assign (residue 44 and name HB2) (residue 44 and name HB1) 41464000.0
assign (residue 44 and name HB2) (residue 44 and name HD21) 5970800.0
assign (residue 44 and name HB2) (residue 44 and name HN) 13768000.0
assign (residue 44 and name HD21) (residue 44 and name HD22) 61655000.0
assign (residue 44 and name HD22) (residue 44 and name HD21) 88378000.0
assign (residue 44 and name HN) (residue 43 and name HN) 4438900.0
assign (residue 44 and name HN) (residue 44 and name HB2) 5076100.0
assign (residue 45 and name HA) (residue 44 and name HN) 5186500.0
assign (residue 45 and name HA) (residue 45 and name HB1) 10558000.0
assign (residue 45 and name HA) (residue 45 and name HB2) 7610300.0
assign (residue 46 and name HD1) (residue 46 and name HD2) 14086000.0
assign (residue 46 and name HD2) (residue 46 and name HD1) 8642200.0
assign (residue 47 and name HA) (residue 47 and name HE21) 7449200.0
assign (residue 47 and name HA) (residue 48 and name HN) 34875000.0
assign (residue 47 and name HB1) (residue 47 and name HE21) 4328800.0
assign (residue 47 and name HB2) (residue 47 and name HE21) 2467000.0
assign (residue 47 and name HE21) (residue 47 and name HE22) 48184000.0
assign (residue 47 and name HE22) (residue 47 and name HE21) 74936000.0
assign (residue 47 and name HG#) (residue 47 and name HN) 10523000.0
assign (residue 47 and name HG#) (residue 48 and name HN) 1195300.0
assign (residue 47 and name HN) (residue 41 and name HN) 14314000.0
assign (residue 47 and name HN) (residue 46 and name HG1) 2488800.0
assign (residue 48 and name HA) (residue 41 and name HN) 6460600.0
assign (residue 48 and name HA) (residue 48 and name HN) 5715400.0
assign (residue 48 and name HA) (residue 49 and name HN) 32725000.0
assign (residue 48 and name HB1) (residue 48 and name HN) 2365400.0
assign (residue 48 and name HB1) (residue 49 and name HN) 6653200.0
assign (residue 48 and name HB2) (residue 48 and name HN) 10206000.0
assign (residue 48 and name HN) (residue 27 and name HG2#) 6999500.0
assign (residue 48 and name HN) (residue 28 and name HN) 7818500.0
assign (residue 49 and name HA) (residue 49 and name HG#) 6099200.0
assign (residue 49 and name HA) (residue 49 and name HN) 27813000.0
assign (residue 49 and name HA) (residue 50 and name HN) 33303000.0
assign (residue 49 and name HB1) (residue 49 and name HE21) 9652400.0
assign (residue 49 and name HB1) (residue 49 and name HN) 7715000.0
assign (residue 49 and name HB2) (residue 49 and name HE21) 6908200.0
assign (residue 49 and name HB2) (residue 49 and name HN) 19118000.0
assign (residue 49 and name HG#) (residue 48 and name HN) 2446300.0
assign (residue 5 and name HA) (residue 5 and name HN) 7933700.0
assign (residue 5 and name HB1) (residue 5 and name HN) 7149000.0
assign (residue 5 and name HB1) (residue 6 and name HN) 2070600.0
assign (residue 5 and name HB2) (residue 5 and name HN) 7139600.0
assign (residue 5 and name HB2) (residue 6 and name HN) 2197900.0
assign (residue 5 and name HN) (residue 5 and name HB1) 3127800.0
assign (residue 5 and name HN) (residue 6 and name HN) 7246800.0
assign (residue 50 and name HA) (residue 50 and name HN) 2963200.0
assign (residue 50 and name HA) (residue 51 and name HN) 29045000.0
assign (residue 50 and name HA) (residue 52 and name HN) 2586700.0
assign (residue 50 and name HB1) (residue 50 and name HN) 8485100.0
assign (residue 50 and name HB2) (residue 50 and name HN) 10031000.0
assign (residue 51 and name HA) (residue 51 and name HB1) 3081100.0
assign (residue 51 and name HA) (residue 51 and name HD#) 3322200.0
assign (residue 51 and name HA) (residue 51 and name HN) 9665400.0
assign (residue 51 and name HA) (residue 52 and name HN) 6869200.0
assign (residue 51 and name HB1) (residue 51 and name HB2) 54016000.0
assign (residue 51 and name HB1) (residue 51 and name HD#) 6705900.0
assign (residue 51 and name HB1) (residue 51 and name HN) 7914900.0
assign (residue 51 and name HB2) (residue 51 and name HB1) 33427000.0
assign (residue 51 and name HB2) (residue 51 and name HD#) 4678600.0
assign (residue 51 and name HB2) (residue 51 and name HN) 18172000.0
assign (residue 51 and name HD#) (residue 39 and name HB) 7329700.0
assign (residue 51 and name HD#) (residue 39 and name HG1#) 4402200.0
assign (residue 51 and name HD#) (residue 39 and name HG2#) 3570000.0
assign (residue 51 and name HD#) (residue 39 and name HN) 2775600.0
assign (residue 51 and name HD#) (residue 51 and name HN) 5767600.0
assign (residue 51 and name HE#) (residue 39 and name HG2#) 1964700.0
assign (residue 51 and name HE#) (residue 51 and name HD#) 42521000.0
assign (residue 51 and name HN) (residue 51 and name HB2) 10996000.0
assign (residue 51 and name HN) (residue 51 and name HD#) 5844700.0
assign (residue 51 and name HN) (residue 52 and name HN) 9159500.0
assign (residue 52 and name HA) (residue 52 and name HN) 6246500.0
assign (residue 52 and name HB1) (residue 52 and name HN) 9141500.0
assign (residue 52 and name HB2) (residue 52 and name HN) 3435600.0
assign (residue 52 and name HN) (residue 51 and name HN) 9337800.0
assign (residue 53 and name HA) (residue 53 and name HN) 6079300.0
assign (residue 53 and name HB) (residue 53 and name HN) 4494700.0
assign (residue 53 and name HG2#) (residue 53 and name HN) 7461300.0
assign (residue 53 and name HG2#) (residue 54 and name HN) 3690000.0
assign (residue 53 and name HN) (residue 53 and name HG2#) 5305700.0
assign (residue 54 and name HB#) (residue 54 and name HE1) 7977400.0
assign (residue 54 and name HB#) (residue 54 and name HN) 6217000.0
assign (residue 54 and name HB#) (residue 55 and name HN) 14068000.0
assign (residue 54 and name HE1) (residue 54 and name HB#) 5653200.0
assign (residue 54 and name HN) (residue 22 and name HN) 6766600.0
assign (residue 54 and name HN) (residue 55 and name HN) 3498300.0
assign (residue 55 and name HA) (residue 55 and name HG#) 4500600.0
assign (residue 55 and name HB2) (residue 56 and name HD#) 2180600.0
assign (residue 55 and name HN) (residue 54 and name HB#) 11696000.0
assign (residue 55 and name HN) (residue 55 and name HB2) 13718000.0
assign (residue 56 and name HD#) (residue 56 and name HB#) 11633000.0
assign (residue 56 and name HD#) (residue 56 and name HE#) 28325000.0
assign (residue 56 and name HD#) (residue 57 and name HN) 3713200.0
assign (residue 56 and name HE#) (residue 56 and name HZ) 31139000.0
assign (residue 56 and name HZ) (residue 56 and name HE#) 13709000.0
assign (residue 57 and name HB1) (residue 57 and name HB2) 43772000.0
assign (residue 57 and name HB2) (residue 57 and name HB1) 46373000.0
assign (residue 58 and name HA) (residue 58 and name HD#) 9948800.0
assign (residue 58 and name HA) (residue 59 and name HN) 23130000.0
assign (residue 58 and name HB1) (residue 58 and name HB2) 50801000.0
assign (residue 58 and name HB1) (residue 58 and name HD#) 7626200.0
assign (residue 58 and name HB1) (residue 58 and name HN) 6079600.0
assign (residue 58 and name HB1) (residue 59 and name HN) 12384000.0
assign (residue 58 and name HB2) (residue 58 and name HB1) 29192000.0
assign (residue 58 and name HB2) (residue 58 and name HD#) 9058100.0
assign (residue 58 and name HB2) (residue 58 and name HN) 11699000.0
assign (residue 58 and name HB2) (residue 59 and name HN) 5337200.0
assign (residue 58 and name HB2) (residue 9 and name HN) 1961600.0
assign (residue 58 and name HD#) (residue 58 and name HB1) 3223900.0
assign (residue 58 and name HD#) (residue 58 and name HB2) 9120800.0
assign (residue 58 and name HD#) (residue 58 and name HN) 5620300.0
assign (residue 58 and name HD#) (residue 59 and name HN) 4638600.0
assign (residue 58 and name HD#) (residue 7 and name HB#) 16405000.0
assign (residue 58 and name HE#) (residue 58 and name HD#) 36124000.0
assign (residue 58 and name HE#) (residue 7 and name HB#) 4236200.0
assign (residue 58 and name HN) (residue 58 and name HB2) 7020600.0
assign (residue 58 and name HN) (residue 58 and name HD#) 3714100.0
assign (residue 59 and name HB1) (residue 59 and name HN) 4132300.0
assign (residue 59 and name HB2) (residue 59 and name HN) 15338000.0
assign (residue 59 and name HG1) (residue 59 and name HN) 4732700.0
assign (residue 59 and name HG2) (residue 59 and name HN) 3856500.0
assign (residue 59 and name HN) (residue 58 and name HB1) 4598600.0
assign (residue 59 and name HN) (residue 59 and name HB1) 4012100.0
assign (residue 59 and name HN) (residue 59 and name HB2) 3069800.0
assign (residue 6 and name HA) (residue 7 and name HN) 17563000.0
assign (residue 6 and name HB#) (residue 6 and name HN) 8685700.0
assign (residue 6 and name HB#) (residue 7 and name HN) 6771200.0
assign (residue 6 and name HN) (residue 5 and name HN) 7126300.0
assign (residue 60 and name HA) (residue 60 and name HN) 9954600.0
assign (residue 60 and name HA) (residue 61 and name HN) 29443000.0
assign (residue 60 and name HA) (residue 9 and name HN) 7513800.0
assign (residue 60 and name HB#) (residue 60 and name HN) 28039000.0
assign (residue 60 and name HB#) (residue 61 and name HN) 11135000.0
assign (residue 60 and name HN) (residue 60 and name HB#) 25579000.0
assign (residue 61 and name HA) (residue 61 and name HB#) 9674200.0
assign (residue 61 and name HA) (residue 62 and name HN) 10255000.0
assign (residue 61 and name HA) (residue 8 and name HB1) 2029600.0
assign (residue 61 and name HA) (residue 8 and name HB2) 5356500.0
assign (residue 61 and name HB#) (residue 61 and name HN) 17446000.0
assign (residue 61 and name HN) (residue 60 and name HB#) 8130000.0
assign (residue 61 and name HN) (residue 61 and name HB#) 11866000.0
assign (residue 61 and name HN) (residue 62 and name HN) 8460900.0
assign (residue 62 and name HA) (residue 62 and name HE1) 2213200.0
assign (residue 62 and name HB2) (residue 62 and name HB1) 37673000.0
assign (residue 62 and name HB2) (residue 63 and name HN ) 2512800.0
assign (residue 62 and name HN) (residue 61 and name HN) 6800400.0
assign (residue 63 and name HA) (residue 64 and name HN) 13650000.0
assign (residue 63 and name HB1) (residue 63 and name HD21) 1872200.0
assign (residue 63 and name HB1) (residue 63 and name HN) 4997000.0
assign (residue 63 and name HB1) (residue 64 and name HN) 8464300.0
assign (residue 63 and name HB2) (residue 63 and name HD21) 2173100.0
assign (residue 63 and name HB2) (residue 63 and name HN ) 5960100.0
assign (residue 63 and name HB2) (residue 64 and name HN) 5566000.0
assign (residue 63 and name HD21) (residue 63 and name HD22) 58236000.0
assign (residue 63 and name HD22) (residue 63 and name HD21) 80860000.0
assign (residue 65 and name HA) (residue 66 and name HN) 9535000.0
assign (residue 65 and name HB1) (residue 65 and name HN) 2441300.0
assign (residue 65 and name HB1) (residue 66 and name HN) 3699800.0
assign (residue 65 and name HB2) (residue 65 and name HN) 4035700.0
assign (residue 65 and name HG#) (residue 65 and name HN) 3710300.0
assign (residue 66 and name HA) (residue 66 and name HN) 7023500.0
assign (residue 66 and name HB) (residue 66 and name HN) 5277300.0
assign (residue 66 and name HG11) (residue 66 and name HN) 2213800.0
assign (residue 66 and name HG12) (residue 66 and name HN) 1974300.0
assign (residue 66 and name HN) (residue 65 and name HN) 8959600.0
assign (residue 7 and name HA) (residue 32 and name HE1) 1125700.0
assign (residue 7 and name HA) (residue 7 and name HB#) 17183000.0
assign (residue 7 and name HA) (residue 7 and name HN) 6236200.0
assign (residue 7 and name HA) (residue 8 and name HN) 21814000.0
assign (residue 7 and name HB#) (residue 58 and name HD#) 2535600.0
assign (residue 7 and name HB#) (residue 58 and name HE#) 3039400.0
assign (residue 7 and name HB#) (residue 7 and name HN) 13818000.0
assign (residue 7 and name HB#) (residue 8 and name HN) 4201500.0
assign (residue 7 and name HN) (residue 7 and name HB#) 13147000.0
assign (residue 8 and name HA) (residue 8 and name HB1) 7013100.0
assign (residue 8 and name HA) (residue 8 and name HB2) 5895000.0
assign (residue 8 and name HA) (residue 8 and name HN) 3325000.0
assign (residue 8 and name HA) (residue 9 and name HN) 17312000.0
assign (residue 8 and name HN) (residue 7 and name HB#) 5834100.0
assign (residue 9 and name HB#) (residue 58 and name HD#) 3113900.0
assign (residue 9 and name HB#) (residue 58 and name HN) 25394000.0


** reference cross-peaks for tmix 350ms **

assign (residue 51 and name HD#) (residue 51 and name HE#) 228560000.0
assign (residue 42 and name HE#) (residue 42 and name HD#) 243040000.0
assign (residue 42 and name HD#) (residue 42 and name HE#) 209240000.0
assign (residue 58 and name HD#) (residue 58 and name HE#) 199110000.0
assign (residue 58 and name HE#) (residue 58 and name HD#) 220960000.0
assign (residue 2 and name HB2) (residue 2 and name HB1) 234970000.0
assign (residue 10 and name HB1) (residue 10 and name HB2) 89264000.0
assign (residue 10 and name HB2) (residue 10 and name HB1) 93202000.0
assign (residue 12 and name HB1) (residue 12 and name HB2) 90952000.0
assign (residue 13 and name HB2) (residue 13 and name HB1) 204170000.0
assign (residue 31 and name HB1) (residue 31 and name HB2) 87496000.0
assign (residue 31 and name HB2) (residue 31 and name HB1) 46757000.0
assign (residue 32 and name HB1) (residue 32 and name HB2) 61982000.0
assign (residue 32 and name HB2) (residue 32 and name HB1) 45172000.0
assign (residue 35 and name HB1) (residue 35 and name HB2) 74444000.0
assign (residue 35 and name HB2) (residue 35 and name HB1) 68739000.0
assign (residue 38 and name HB2) (residue 38 and name HB1) 97238000.0
assign (residue 40 and name HB1) (residue 40 and name HB2) 141830000.0
assign (residue 40 and name HB2) (residue 40 and name HB1) 120030000.0
assign (residue 42 and name HB1) (residue 42 and name HB2) 130010000.0
assign (residue 42 and name HB2) (residue 42 and name HB1) 96929000.0
assign (residue 43 and name HB1) (residue 43 and name HB2) 62965000.0
assign (residue 43 and name HB2) (residue 43 and name HB1) 34991000.0
assign (residue 44 and name HB1) (residue 44 and name HB2) 145090000.0
assign (residue 44 and name HB2) (residue 44 and name HB1) 159420000.0
assign (residue 48 and name HB2) (residue 48 and name HB1) 59823000.0
assign (residue 51 and name HB1) (residue 51 and name HB2) 101420000.0
assign (residue 51 and name HB2) (residue 51 and name HB1) 62292000.0
assign (residue 57 and name HB1) (residue 57 and name HB2) 98792000.0
assign (residue 58 and name HB1) (residue 58 and name HB2) 67437000.0
assign (residue 62 and name HB1) (residue 62 and name HB2) 158600000.0
assign (residue 62 and name HB2) (residue 62 and name HB1) 107950000.0
assign (residue 63 and name HB2) (residue 63 and name HB1) 44658000.0

** cross-peak volumes for tmix 350ms **

error_input
    input=uniform  mode=relative  value=  0.1
 end

assign (residue 10 and name HA) (residue 10 and name HB2) 54012000.0
assign (residue 10 and name HA) (residue 10 and name HN) 13279000.0
assign (residue 10 and name HA) (residue 11 and name HN) 25958000.0
assign (residue 10 and name HA) (residue 60 and name HN) 6599200.0
assign (residue 10 and name HA) (residue 61 and name HN) 27177000.0
assign (residue 10 and name HB1) (residue 10 and name HB2) 89264000.0
assign (residue 10 and name HB1) (residue 10 and name HN) 47956000.0
assign (residue 10 and name HB1) (residue 11 and name HN) 43456000.0
assign (residue 10 and name HB2) (residue 10 and name HB1) 93202000.0
assign (residue 10 and name HB2) (residue 10 and name HN) 19473000.0
assign (residue 10 and name HB2) (residue 11 and name HN) 33868000.0
assign (residue 10 and name HN) (residue 10 and name HB2) 16866000.0
assign (residue 10 and name HN) (residue 11 and name HN) 31781000.0
assign (residue 10 and name HN) (residue 9 and name HN) 7090100.0
assign (residue 11 and name HA) (residue 11 and name HN) 30644000.0
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assign (residue 52 and name HA) (residue 52 and name HN) 58086000.0
assign (residue 52 and name HA) (residue 53 and name HN) 240410000.0
assign (residue 52 and name HB1) (residue 52 and name HN) 36533000.0
assign (residue 52 and name HB2) (residue 52 and name HN) 29655000.0
assign (residue 52 and name HN) (residue 39 and name HG2#) 3306400.0
assign (residue 52 and name HN) (residue 51 and name HB2) 15157000.0
assign (residue 52 and name HN) (residue 51 and name HN) 35138000.0
assign (residue 52 and name HN) (residue 52 and name HB1) 30073000.0
assign (residue 52 and name HN) (residue 52 and name HB2) 28617000.0
assign (residue 53 and name HA) (residue 22 and name HN) 13793000.0
assign (residue 53 and name HA) (residue 53 and name HN) 30218000.0
assign (residue 53 and name HB) (residue 53 and name HN) 31214000.0
assign (residue 53 and name HG2#) (residue 22 and name HN) 8415600.0
assign (residue 53 and name HG2#) (residue 24 and name HN) 10277000.0
assign (residue 53 and name HG2#) (residue 53 and name HN) 53445000.0
assign (residue 53 and name HG2#) (residue 54 and name HE1) 2660300.0
assign (residue 53 and name HG2#) (residue 54 and name HN) 33700000.0
assign (residue 53 and name HN) (residue 52 and name HN) 20231000.0
assign (residue 53 and name HN) (residue 53 and name HG2#) 38657000.0
assign (residue 53 and name HN) (residue 54 and name HN) 3263900.0
assign (residue 54 and name HA) (residue 22 and name HN) 10847000.0
assign (residue 54 and name HA) (residue 53 and name HN) 16622000.0
assign (residue 54 and name HA) (residue 54 and name HN) 81103000.0
assign (residue 54 and name HB#) (residue 22 and name HN) 8274100.0
assign (residue 54 and name HB#) (residue 54 and name HE1) 30665000.0
assign (residue 54 and name HB#) (residue 54 and name HN) 25089000.0
assign (residue 54 and name HB#) (residue 55 and name HN) 69134000.0
assign (residue 54 and name HD2) (residue 54 and name HE1) 5928900.0
assign (residue 54 and name HE1) (residue 54 and name HB#) 27006000.0
assign (residue 54 and name HE1) (residue 54 and name HD2) 14982000.0
assign (residue 54 and name HE1) (residue 55 and name HN) 4327000.0
assign (residue 54 and name HN) (residue 21 and name HG2#) 14735000.0
assign (residue 54 and name HN) (residue 22 and name HN) 23625000.0
assign (residue 54 and name HN) (residue 53 and name HG2#) 26707000.0
assign (residue 54 and name HN) (residue 54 and name HB#) 16212000.0
assign (residue 54 and name HN) (residue 55 and name HN) 11854000.0
assign (residue 55 and name HA) (residue 22 and name HN) 18675000.0
assign (residue 55 and name HA) (residue 55 and name HB2) 44003000.0
assign (residue 55 and name HA) (residue 55 and name HD#) 24291000.0
assign (residue 55 and name HA) (residue 55 and name HG#) 51529000.0
assign (residue 55 and name HA) (residue 55 and name HN) 55704000.0
assign (residue 55 and name HA) (residue 56 and name HN) 11840000.0
assign (residue 55 and name HB1) (residue 55 and name HN) 36779000.0
assign (residue 55 and name HB1) (residue 56 and name HD#) 13216000.0
assign (residue 55 and name HB1) (residue 56 and name HN) 6265500.0
assign (residue 55 and name HB2) (residue 55 and name HN) 34472000.0
assign (residue 55 and name HB2) (residue 56 and name HD#) 18301000.0
assign (residue 55 and name HE#) (residue 55 and name HZ#) 137970000.0
assign (residue 55 and name HG#) (residue 55 and name HN) 48714000.0
assign (residue 55 and name HN) (residue 54 and name HB#) 54835000.0
assign (residue 55 and name HN) (residue 54 and name HE1) 4881200.0
assign (residue 55 and name HN) (residue 54 and name HN) 10232000.0
assign (residue 55 and name HN) (residue 55 and name HB1) 9323000.0
assign (residue 55 and name HN) (residue 55 and name HB2) 33255000.0
assign (residue 55 and name HN) (residue 55 and name HG#) 41561000.0
assign (residue 55 and name HN) (residue 56 and name HE#) 8401000.0
assign (residue 55 and name HN) (residue 56 and name HN) 11821000.0
assign (residue 56 and name HA) (residue 56 and name HD#) 50135000.0
assign (residue 56 and name HA) (residue 56 and name HN) 19705000.0
assign (residue 56 and name HB#) (residue 56 and name HD#) 103210000.0
assign (residue 56 and name HB#) (residue 56 and name HE#) 21716000.0
assign (residue 56 and name HB#) (residue 56 and name HN) 14261000.0
assign (residue 56 and name HB#) (residue 57 and name HN) 133820000.0
assign (residue 56 and name HD#) (residue 55 and name HB1) 7769800.0
assign (residue 56 and name HD#) (residue 55 and name HG#) 20932000.0
assign (residue 56 and name HD#) (residue 56 and name HB#) 80745000.0
assign (residue 56 and name HD#) (residue 56 and name HE#) 165690000.0
assign (residue 56 and name HD#) (residue 56 and name HZ) 34813000.0
assign (residue 56 and name HD#) (residue 57 and name HN) 50048000.0
assign (residue 56 and name HE#) (residue 56 and name HB#) 12269000.0
assign (residue 56 and name HE#) (residue 56 and name HD#) 113350000.0
assign (residue 56 and name HE#) (residue 56 and name HZ) 141460000.0
assign (residue 56 and name HN) (residue 22 and name HN) 5066100.0
assign (residue 56 and name HN) (residue 54 and name HN) 4856600.0
assign (residue 56 and name HN) (residue 55 and name HN) 11933000.0
assign (residue 56 and name HN) (residue 57 and name HN) 19947000.0
assign (residue 56 and name HZ) (residue 56 and name HE#) 101670000.0
assign (residue 57 and name HA) (residue 58 and name HN) 83477000.0
assign (residue 57 and name HB1) (residue 57 and name HB2) 98792000.0
assign (residue 57 and name HB2) (residue 57 and name HN) 89391000.0
assign (residue 57 and name HB2) (residue 58 and name HN) 24245000.0
assign (residue 57 and name HN) (residue 56 and name HB#) 65972000.0
assign (residue 57 and name HN) (residue 56 and name HD#) 26321000.0
assign (residue 57 and name HN) (residue 56 and name HN) 3713100.0
assign (residue 57 and name HN) (residue 57 and name HB1) 26806000.0
assign (residue 57 and name HN) (residue 57 and name HB2) 46556000.0
assign (residue 57 and name HN) (residue 58 and name HN) 11292000.0
assign (residue 58 and name HA) (residue 58 and name HD#) 73945000.0
assign (residue 58 and name HA) (residue 58 and name HE#) 17803000.0
assign (residue 58 and name HA) (residue 58 and name HN) 5582500.0
assign (residue 58 and name HA) (residue 59 and name HN) 99547000.0
assign (residue 58 and name HB1) (residue 58 and name HB2) 67437000.0
assign (residue 58 and name HB1) (residue 58 and name HN) 27485000.0
assign (residue 58 and name HB1) (residue 59 and name HN) 44050000.0
assign (residue 58 and name HB2) (residue 58 and name HD#) 45685000.0
assign (residue 58 and name HB2) (residue 58 and name HE#) 15231000.0
assign (residue 58 and name HB2) (residue 58 and name HN) 35097000.0
assign (residue 58 and name HB2) (residue 59 and name HN) 33403000.0
assign (residue 58 and name HB2) (residue 9 and name HN) 18321000.0
assign (residue 58 and name HD#) (residue 58 and name HB1) 32010000.0
assign (residue 58 and name HD#) (residue 58 and name HB2) 45898000.0
assign (residue 58 and name HD#) (residue 58 and name HE#) 199110000.0
assign (residue 58 and name HD#) (residue 58 and name HN) 27638000.0
assign (residue 58 and name HD#) (residue 59 and name HN) 27592000.0
assign (residue 58 and name HD#) (residue 7 and name HB#) 25796000.0
assign (residue 58 and name HD#) (residue 9 and name HB#) 21547000.0
assign (residue 58 and name HD#) (residue 9 and name HN) 10728000.0
assign (residue 58 and name HE#) (residue 58 and name HB2) 13821000.0
assign (residue 58 and name HE#) (residue 58 and name HD#) 220960000.0
assign (residue 58 and name HE#) (residue 58 and name HN) 9406100.0
assign (residue 58 and name HE#) (residue 7 and name HB#) 27357000.0
assign (residue 58 and name HN) (residue 57 and name HB2) 13619000.0
assign (residue 58 and name HN) (residue 57 and name HN) 19970000.0
assign (residue 58 and name HN) (residue 58 and name HB1) 16243000.0
assign (residue 58 and name HN) (residue 58 and name HB2) 24709000.0
assign (residue 58 and name HN) (residue 58 and name HD#) 21732000.0
assign (residue 58 and name HN) (residue 58 and name HE#) 2606100.0
assign (residue 58 and name HN) (residue 59 and name HN) 11920000.0
assign (residue 59 and name HA) (residue 60 and name HB#) 113720000.0
assign (residue 59 and name HA) (residue 60 and name HN) 152890000.0
assign (residue 59 and name HB1) (residue 59 and name HN) 46114000.0
assign (residue 59 and name HB1) (residue 60 and name HN) 52096000.0
assign (residue 59 and name HB2) (residue 59 and name HN) 35365000.0
assign (residue 59 and name HB2) (residue 60 and name HN) 10547000.0
assign (residue 59 and name HD#) (residue 59 and name HN) 15885000.0
assign (residue 59 and name HD#) (residue 60 and name HN) 10516000.0
assign (residue 59 and name HE#) (residue 59 and name HN) 31528000.0
assign (residue 59 and name HG1) (residue 59 and name HN) 28012000.0
assign (residue 59 and name HG2) (residue 59 and name HN) 50005000.0
assign (residue 59 and name HN) (residue 58 and name HB1) 24110000.0
assign (residue 59 and name HN) (residue 58 and name HB2) 27842000.0
assign (residue 59 and name HN) (residue 58 and name HD#) 27280000.0
assign (residue 59 and name HN) (residue 59 and name HB1) 29192000.0
assign (residue 59 and name HN) (residue 59 and name HB2) 30693000.0
assign (residue 59 and name HN) (residue 59 and name HE#) 12780000.0
assign (residue 59 and name HN) (residue 60 and name HN) 14966000.0
assign (residue 59 and name HN) (residue 9 and name HN) 12785000.0
assign (residue 6 and name HA) (residue 6 and name HN) 162630000.0
assign (residue 6 and name HB#) (residue 6 and name HN) 67504000.0
assign (residue 6 and name HB#) (residue 7 and name HB#) 6408500.0
assign (residue 6 and name HB#) (residue 7 and name HN) 45746000.0
assign (residue 6 and name HN) (residue 5 and name HB1) 15990000.0
assign (residue 6 and name HN) (residue 5 and name HB2) 15432000.0
assign (residue 6 and name HN) (residue 5 and name HG1) 6649900.0
assign (residue 6 and name HN) (residue 5 and name HG2) 2241900.0
assign (residue 6 and name HN) (residue 5 and name HN) 40622000.0
assign (residue 60 and name HA) (residue 60 and name HN) 56081000.0
assign (residue 60 and name HA) (residue 61 and name HN) 111100000.0
assign (residue 60 and name HA) (residue 9 and name HN) 32187000.0
assign (residue 60 and name HB#) (residue 60 and name HN) 161500000.0
assign (residue 60 and name HB#) (residue 61 and name HN) 84272000.0
assign (residue 60 and name HB#) (residue 62 and name HE1) 6062600.0
assign (residue 60 and name HB#) (residue 9 and name HN) 26272000.0
assign (residue 60 and name HN) (residue 59 and name HB1) 47427000.0
assign (residue 60 and name HN) (residue 59 and name HB2) 5515100.0
assign (residue 60 and name HN) (residue 59 and name HD#) 11716000.0
assign (residue 60 and name HN) (residue 59 and name HN) 20974000.0
assign (residue 60 and name HN) (residue 60 and name HB#) 153860000.0
assign (residue 60 and name HN) (residue 61 and name HN) 14914000.0
assign (residue 60 and name HN) (residue 9 and name HN) 10766000.0
assign (residue 61 and name HA) (residue 62 and name HN) 75511000.0
assign (residue 61 and name HA) (residue 9 and name HN) 14031000.0
assign (residue 61 and name HB#) (residue 61 and name HN) 93161000.0
assign (residue 61 and name HB#) (residue 62 and name HD2) 20291000.0
assign (residue 61 and name HN) (residue 60 and name HB#) 70813000.0
assign (residue 61 and name HN) (residue 60 and name HN) 14287000.0
assign (residue 61 and name HN) (residue 9 and name HN) 18224000.0
assign (residue 62 and name HA) (residue 62 and name HE1) 12510000.0
assign (residue 62 and name HA) (residue 62 and name HN) 18557000.0
assign (residue 62 and name HB1) (residue 62 and name HB2) 158600000.0
assign (residue 62 and name HB1) (residue 62 and name HE1) 20736000.0
assign (residue 62 and name HB1) (residue 63 and name HN ) 42087000.0
assign (residue 62 and name HB2) (residue 62 and name HB1) 107950000.0
assign (residue 62 and name HB2) (residue 62 and name HE1) 15728000.0
assign (residue 62 and name HB2) (residue 63 and name HN ) 24556000.0
assign (residue 62 and name HD2) (residue 61 and name HB#) 9924700.0
assign (residue 62 and name HD2) (residue 62 and name HE1) 18636000.0
assign (residue 62 and name HE1) (residue 60 and name HB#) 6311700.0
assign (residue 62 and name HE1) (residue 61 and name HB#) 2105000.0
assign (residue 62 and name HE1) (residue 62 and name HB1) 7268100.0
assign (residue 62 and name HE1) (residue 62 and name HB2) 6864000.0
assign (residue 62 and name HE1) (residue 62 and name HD2) 6010200.0
assign (residue 62 and name HN) (residue 61 and name HN) 32283000.0
assign (residue 63 and name HB1) (residue 63 and name HD21) 10470000.0
assign (residue 63 and name HB1) (residue 63 and name HN) 60293000.0
assign (residue 63 and name HB2) (residue 63 and name HB1) 44658000.0
assign (residue 63 and name HB2) (residue 63 and name HD21) 16180000.0
assign (residue 63 and name HB2) (residue 63 and name HD22) 5096100.0
assign (residue 63 and name HB2) (residue 63 and name HN ) 72633000.0
assign (residue 63 and name HD21) (residue 63 and name HB2) 20951000.0
assign (residue 63 and name HD21) (residue 63 and name HD22) 234870000.0
assign (residue 63 and name HD22) (residue 63 and name HB2) 13184000.0
assign (residue 63 and name HN ) (residue 62 and name HB1) 10846000.0
assign (residue 63 and name HN ) (residue 62 and name HB2) 12129000.0
assign (residue 63 and name HN ) (residue 63 and name HB2) 21849000.0
assign (residue 63 and name HN) (residue 63 and name HB1) 18295000.0
assign (residue 63 and name HN) (residue 64 and name HN) 19347000.0
assign (residue 64 and name HA) (residue 64 and name HN) 28870000.0
assign (residue 64 and name HA) (residue 65 and name HN) 67959000.0
assign (residue 64 and name HN) (residue 63 and name HB1) 11466000.0
assign (residue 64 and name HN) (residue 63 and name HB2) 27259000.0
assign (residue 64 and name HN) (residue 63 and name HN) 20256000.0
assign (residue 65 and name HA) (residue 65 and name HN) 50826000.0
assign (residue 65 and name HA) (residue 66 and name HN) 76616000.0
assign (residue 65 and name HB1) (residue 65 and name HN) 21194000.0
assign (residue 65 and name HB1) (residue 66 and name HN) 10582000.0
assign (residue 65 and name HB2) (residue 65 and name HN) 44713000.0
assign (residue 65 and name HB2) (residue 66 and name HN) 10115000.0
assign (residue 65 and name HG#) (residue 65 and name HN) 22561000.0
assign (residue 65 and name HN) (residue 65 and name HB1) 20326000.0
assign (residue 65 and name HN) (residue 65 and name HB2) 57979000.0
assign (residue 65 and name HN) (residue 65 and name HG#) 16103000.0
assign (residue 65 and name HN) (residue 66 and name HN) 36838000.0
assign (residue 66 and name HA) (residue 66 and name HN) 26914000.0
assign (residue 66 and name HA) (residue 67 and name HN) 90903000.0
assign (residue 66 and name HB) (residue 66 and name HN) 36116000.0
assign (residue 66 and name HB) (residue 67 and name HN) 26285000.0
assign (residue 66 and name HG11) (residue 66 and name HN) 20202000.0
assign (residue 66 and name HG12) (residue 66 and name HN) 20245000.0
assign (residue 66 and name HN) (residue 65 and name HB1) 11567000.0
assign (residue 66 and name HN) (residue 65 and name HB2) 7897800.0
assign (residue 66 and name HN) (residue 65 and name HN) 25631000.0
assign (residue 66 and name HN) (residue 66 and name HB) 34246000.0
assign (residue 66 and name HN) (residue 66 and name HG11) 15055000.0
assign (residue 66 and name HN) (residue 66 and name HG12) 19305000.0
assign (residue 66 and name HN) (residue 66 and name HG2#) 26652000.0
assign (residue 67 and name HA) (residue 67 and name HN) 21613000.0
assign (residue 67 and name HB1) (residue 67 and name HN) 14905000.0
assign (residue 67 and name HB2) (residue 67 and name HN) 36503000.0
assign (residue 67 and name HG#) (residue 67 and name HN) 21949000.0
assign (residue 67 and name HN) (residue 66 and name HB) 45699000.0
assign (residue 67 and name HN) (residue 67 and name HB1) 7925200.0
assign (residue 67 and name HN) (residue 67 and name HB2) 23082000.0
assign (residue 7 and name HA) (residue 32 and name HE1) 7227600.0
assign (residue 7 and name HA) (residue 58 and name HD#) 16631000.0
assign (residue 7 and name HA) (residue 58 and name HE#) 7157900.0
assign (residue 7 and name HA) (residue 7 and name HB#) 124990000.0
assign (residue 7 and name HA) (residue 7 and name HN) 39875000.0
assign (residue 7 and name HA) (residue 8 and name HN) 122930000.0
assign (residue 7 and name HB#) (residue 32 and name HE1) 4807900.0
assign (residue 7 and name HB#) (residue 58 and name HD#) 33899000.0
assign (residue 7 and name HB#) (residue 58 and name HE#) 23815000.0
assign (residue 7 and name HB#) (residue 6 and name HN) 15638000.0
assign (residue 7 and name HB#) (residue 7 and name HN) 83935000.0
assign (residue 7 and name HB#) (residue 8 and name HN) 48779000.0
assign (residue 7 and name HN) (residue 7 and name HB#) 86264000.0
assign (residue 7 and name HN) (residue 8 and name HN) 25093000.0
assign (residue 8 and name HA) (residue 58 and name HD#) 20268000.0
assign (residue 8 and name HA) (residue 60 and name HN) 4953000.0
assign (residue 8 and name HA) (residue 61 and name HN) 9652500.0
assign (residue 8 and name HA) (residue 7 and name HB#) 5170500.0
assign (residue 8 and name HA) (residue 8 and name HB1) 68276000.0
assign (residue 8 and name HA) (residue 8 and name HB2) 46715000.0
assign (residue 8 and name HA) (residue 8 and name HN) 22682000.0
assign (residue 8 and name HA) (residue 9 and name HN) 71232000.0
assign (residue 8 and name HB1) (residue 61 and name HN) 15832000.0
assign (residue 8 and name HB1) (residue 8 and name HN) 30906000.0
assign (residue 8 and name HB2) (residue 61 and name HN) 22721000.0
assign (residue 8 and name HB2) (residue 8 and name HN) 66899000.0
assign (residue 8 and name HN) (residue 7 and name HB#) 42549000.0
assign (residue 8 and name HN) (residue 7 and name HN) 16012000.0
assign (residue 8 and name HN) (residue 9 and name HN) 9356200.0
assign (residue 9 and name HA) (residue 10 and name HN) 28360000.0
assign (residue 9 and name HA) (residue 11 and name HN) 17595000.0
assign (residue 9 and name HA) (residue 9 and name HN) 25533000.0
assign (residue 9 and name HB#) (residue 58 and name HD#) 27939000.0
assign (residue 9 and name HB#) (residue 58 and name HN) 24944000.0
assign (residue 9 and name HB#) (residue 9 and name HN) 112320000.0
assign (residue 9 and name HN) (residue 58 and name HB2) 13711000.0
assign (residue 9 and name HN) (residue 58 and name HD#) 6513700.0
assign (residue 9 and name HN) (residue 59 and name HN) 5737800.0
assign (residue 9 and name HN) (residue 60 and name HB#) 16363000.0
assign (residue 9 and name HN) (residue 60 and name HN) 5390900.0
assign (residue 9 and name HN) (residue 61 and name HN) 12412000.0
assign (residue 9 and name HN) (residue 8 and name HN) 7602800.0
assign (residue 9 and name HN) (residue 9 and name HB#) 47936000.0



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1   6.970 -15.234   9.194
    2   2H    GLY   1          2H        GLY   1   6.526 -16.561  10.157
    3   3H    GLY   1          3H        GLY   1   5.458 -15.253   9.967
    4   1HA   GLY   1          1HA       GLY   1   6.215 -17.322   8.052
    5   2HA   GLY   1          2HA       GLY   1   4.575 -16.785   8.601
    6    H    ASP   2           H        ASP   2   3.943 -16.598   6.412
    7    HA   ASP   2           HA       ASP   2   4.690 -14.101   5.069
    8   1HB   ASP   2          1HB       ASP   2   4.760 -16.745   3.497
    9   2HB   ASP   2          2HB       ASP   2   5.391 -15.145   2.997
   10    HD2  ASP   2           HD2      ASP   2   7.646 -17.825   4.827
   11    H    ASP   3           H        ASP   3   2.275 -16.365   5.932
   12    HA   ASP   3           HA       ASP   3   0.606 -15.730   3.603
   13   1HB   ASP   3          1HB       ASP   3  -0.919 -17.471   4.401
   14   2HB   ASP   3          2HB       ASP   3   0.748 -18.088   4.190
   15    HD2  ASP   3           HD2      ASP   3   1.083 -19.483   5.549
   16    H    VAL   4           H        VAL   4   1.403 -13.889   5.654
   17    HA   VAL   4           HA       VAL   4  -0.787 -13.446   7.408
   18    HB   VAL   4           HB       VAL   4   1.616 -13.144   7.970
   19   1HG1  VAL   4          1HG1      VAL   4   2.622 -10.895   7.616
   20   2HG1  VAL   4          2HG1      VAL   4   1.233 -10.378   6.611
   21   3HG1  VAL   4          3HG1      VAL   4   2.322 -11.684   6.029
   22   1HG2  VAL   4          1HG2      VAL   4  -0.323 -10.898   8.768
   23   2HG2  VAL   4          2HG2      VAL   4   1.170 -11.400   9.618
   24   3HG2  VAL   4          3HG2      VAL   4  -0.204 -12.549   9.487
   25    H    LYS   5           H        LYS   5  -2.340 -11.892   7.540
   26    HA   LYS   5           HA       LYS   5  -2.873 -10.294   5.149
   27   1HB   LYS   5          1HB       LYS   5  -4.496 -10.999   7.659
   28   2HB   LYS   5          2HB       LYS   5  -5.119  -9.901   6.396
   29   1HG   LYS   5          1HG       LYS   5  -4.344 -12.827   5.853
   30   2HG   LYS   5          2HG       LYS   5  -5.982 -12.268   6.329
   31   1HD   LYS   5          1HD       LYS   5  -5.996 -10.697   4.327
   32   2HD   LYS   5          2HD       LYS   5  -4.476 -11.478   3.757
   33   1HE   LYS   5          1HE       LYS   5  -5.668 -13.702   3.671
   34   2HE   LYS   5          2HE       LYS   5  -7.182 -12.910   4.269
   35   1HZ   LYS   5          1HZ       LYS   5  -7.217 -13.153   1.922
   36   2HZ   LYS   5          2HZ       LYS   5  -5.754 -12.312   1.731
   37   3HZ   LYS   5          3HZ       LYS   5  -7.135 -11.503   2.307
   38    H    SER   6           H        SER   6  -0.756  -9.680   7.088
   39    HA   SER   6           HA       SER   6  -1.373  -7.411   8.627
   40   1HB   SER   6          1HB       SER   6   1.278  -7.947   7.168
   41   2HB   SER   6          2HB       SER   6   1.012  -6.640   8.390
   42    HG   SER   6           HG       SER   6   1.821  -8.332   9.515
   43    H    ALA   7           H        ALA   7  -0.439  -7.593   5.191
   44    HA   ALA   7           HA       ALA   7  -2.106  -5.353   4.657
   45   1HB   ALA   7          1HB       ALA   7   0.087  -4.200   5.173
   46   2HB   ALA   7          2HB       ALA   7  -0.221  -4.127   3.397
   47   3HB   ALA   7          3HB       ALA   7   0.919  -5.348   4.083
   48    H    CYS   8           H        CYS   8  -2.793  -5.355   2.512
   49    HA   CYS   8           HA       CYS   8  -1.568  -7.315   0.672
   50   1HB   CYS   8          1HB       CYS   8  -4.521  -6.493   0.703
   51   2HB   CYS   8          2HB       CYS   8  -3.692  -7.462  -0.550
   52    H    CYS   9           H        CYS   9  -1.464  -6.538  -1.544
   53    HA   CYS   9           HA       CYS   9  -2.174  -3.752  -2.012
   54   1HB   CYS   9          1HB       CYS   9  -0.115  -3.560  -0.678
   55   2HB   CYS   9          2HB       CYS   9   0.674  -4.835  -1.649
   56    H    ASP  10           H        ASP  10  -2.809  -3.640  -4.188
   57    HA   ASP  10           HA       ASP  10  -1.904  -5.788  -5.958
   58   1HB   ASP  10          1HB       ASP  10  -4.088  -3.707  -5.946
   59   2HB   ASP  10          2HB       ASP  10  -3.585  -4.293  -7.508
   60    HD2  ASP  10           HD2      ASP  10  -4.058  -6.341  -8.099
   61    H    THR  11           H        THR  11  -0.668  -2.752  -5.192
   62    HA   THR  11           HA       THR  11   0.917  -2.761  -7.607
   63    HB   THR  11           HB       THR  11  -0.533  -0.120  -7.159
   64    HG1  THR  11           HG1      THR  11  -1.313  -2.134  -8.998
   65   1HG2  THR  11          1HG2      THR  11   0.191   0.233  -9.512
   66   2HG2  THR  11          2HG2      THR  11   0.888  -1.437  -9.564
   67   3HG2  THR  11          3HG2      THR  11   1.607  -0.188  -8.483
   68    H    CYS  12           H        CYS  12   2.594  -2.996  -6.400
   69    HA   CYS  12           HA       CYS  12   3.512  -0.970  -4.536
   70   1HB   CYS  12          1HB       CYS  12   4.879  -3.356  -5.874
   71   2HB   CYS  12          2HB       CYS  12   5.611  -2.356  -4.538
   72    H    LEU  13           H        LEU  13   5.386   0.344  -4.967
   73    HA   LEU  13           HA       LEU  13   6.445   0.416  -7.696
   74   1HB   LEU  13          1HB       LEU  13   4.478   1.953  -7.528
   75   2HB   LEU  13          2HB       LEU  13   5.255   2.800  -6.160
   76    HG   LEU  13           HG       LEU  13   6.427   2.552  -9.028
   77   1HD1  LEU  13          1HD1      LEU  13   4.807   4.881  -7.825
   78   2HD1  LEU  13          2HD1      LEU  13   4.189   3.681  -9.025
   79   3HD1  LEU  13          3HD1      LEU  13   5.523   4.809  -9.476
   80   1HD2  LEU  13          1HD2      LEU  13   7.132   4.462  -6.700
   81   2HD2  LEU  13          2HD2      LEU  13   7.697   4.673  -8.405
   82   3HD2  LEU  13          3HD2      LEU  13   8.209   3.235  -7.469
   83    H    CYS  14           H        CYS  14   8.401  -0.069  -7.255
   84    HA   CYS  14           HA       CYS  14   9.773   1.128  -4.982
   85   1HB   CYS  14          1HB       CYS  14  10.687  -1.121  -6.788
   86   2HB   CYS  14          2HB       CYS  14  11.625  -0.415  -5.457
   87    H    THR  15           H        THR  15  11.333   2.540  -5.117
   88    HA   THR  15           HA       THR  15  11.256   4.111  -7.503
   89    HB   THR  15           HB       THR  15  12.808   5.674  -6.328
   90    HG1  THR  15           HG1      THR  15  12.206   4.154  -4.060
   91   1HG2  THR  15          1HG2      THR  15  11.057   6.365  -4.695
   92   2HG2  THR  15          2HG2      THR  15  10.268   4.750  -4.779
   93   3HG2  THR  15          3HG2      THR  15  10.291   5.810  -6.224
   94    H    ARG  16           H        ARG  16  12.819   4.928  -8.764
   95    HA   ARG  16           HA       ARG  16  15.157   3.344  -9.304
   96   1HB   ARG  16          1HB       ARG  16  13.934   5.878 -10.504
   97   2HB   ARG  16          2HB       ARG  16  15.491   5.181 -11.083
   98   1HG   ARG  16          1HG       ARG  16  14.545   3.351 -12.046
   99   2HG   ARG  16          2HG       ARG  16  13.109   3.313 -10.970
  100   1HD   ARG  16          1HD       ARG  16  12.043   5.198 -12.156
  101   2HD   ARG  16          2HD       ARG  16  13.557   5.499 -13.104
  102    HE   ARG  16           HE       ARG  16  13.050   3.737 -14.507
  103   1HH1  ARG  16          1HH1      ARG  16  10.937   3.381 -11.635
  104   2HH1  ARG  16          2HH1      ARG  16  10.059   2.049 -12.314
  105   1HH2  ARG  16          1HH2      ARG  16  11.858   2.014 -15.373
  106   2HH2  ARG  16          2HH2      ARG  16  10.575   1.269 -14.471
  107    H    SER  17           H        SER  17  16.826   3.633  -7.852
  108    HA   SER  17           HA       SER  17  17.886   6.152  -7.124
  109   1HB   SER  17          1HB       SER  17  15.571   6.077  -5.830
  110   2HB   SER  17          2HB       SER  17  16.310   4.770  -4.866
  111    HG   SER  17           HG       SER  17  16.536   6.774  -3.897
  112    H    GLN  18           H        GLN  18  19.042   5.723  -4.895
  113    HA   GLN  18           HA       GLN  18  20.130   3.075  -4.604
  114   1HB   GLN  18          1HB       GLN  18  21.305   4.341  -6.574
  115   2HB   GLN  18          2HB       GLN  18  22.088   5.323  -5.320
  116   1HG   GLN  18          1HG       GLN  18  22.244   2.239  -5.760
  117   2HG   GLN  18          2HG       GLN  18  23.569   3.425  -6.008
  118   1HE2  GLN  18          1HE2      GLN  18  24.085   4.750  -3.885
  119   2HE2  GLN  18          2HE2      GLN  18  24.147   3.803  -2.414
  120    HA   PRO  19           HA       PRO  19  19.983   2.028  -2.781
  121   1HB   PRO  19          1HB       PRO  19  18.878   1.689  -0.272
  122   2HB   PRO  19          2HB       PRO  19  20.686   1.856  -0.496
  123   1HG   PRO  19          1HG       PRO  19  18.682   4.081   0.213
  124   2HG   PRO  19          2HG       PRO  19  20.187   3.617   1.113
  125   1HD   PRO  19          1HD       PRO  19  20.128   5.639  -0.791
  126   2HD   PRO  19          2HD       PRO  19  21.591   4.567  -0.597
  127    HA   PRO  20           HA       PRO  20  15.801   2.932  -3.926
  128   1HB   PRO  20          1HB       PRO  20  14.491   0.515  -3.852
  129   2HB   PRO  20          2HB       PRO  20  15.930   0.750  -4.920
  130   1HG   PRO  20          1HG       PRO  20  15.927  -0.415  -2.074
  131   2HG   PRO  20          2HG       PRO  20  16.556  -1.196  -3.584
  132   1HD   PRO  20          1HD       PRO  20  18.194   0.238  -1.890
  133   2HD   PRO  20          2HD       PRO  20  18.408   0.343  -3.710
  134    H    THR  21           H        THR  21  13.523   2.702  -3.316
  135    HA   THR  21           HA       THR  21  12.828   2.539  -0.458
  136    HB   THR  21           HB       THR  21  12.452   5.072  -2.212
  137    HG1  THR  21           HG1      THR  21  14.473   5.299  -1.543
  138   1HG2  THR  21          1HG2      THR  21  11.808   4.483   0.762
  139   2HG2  THR  21          2HG2      THR  21  10.611   4.764  -0.577
  140   3HG2  THR  21          3HG2      THR  21  11.669   6.084  -0.036
  141    H    CYS  22           H        CYS  22  10.519   1.992  -0.338
  142    HA   CYS  22           HA       CYS  22   9.121   1.998  -2.941
  143   1HB   CYS  22          1HB       CYS  22  10.630  -0.111  -2.500
  144   2HB   CYS  22          2HB       CYS  22   9.492  -0.522  -1.190
  145    H    ARG  23           H        ARG  23   6.946   1.292  -2.790
  146    HA   ARG  23           HA       ARG  23   5.449   1.686  -0.335
  147   1HB   ARG  23          1HB       ARG  23   5.996   3.938  -2.370
  148   2HB   ARG  23          2HB       ARG  23   4.412   3.860  -1.549
  149   1HG   ARG  23          1HG       ARG  23   5.472   4.045   0.675
  150   2HG   ARG  23          2HG       ARG  23   7.080   4.237  -0.106
  151   1HD   ARG  23          1HD       ARG  23   6.135   6.402   0.611
  152   2HD   ARG  23          2HD       ARG  23   6.412   6.357  -1.165
  153    HE   ARG  23           HE       ARG  23   3.783   6.132   0.322
  154   1HH1  ARG  23          1HH1      ARG  23   5.386   6.720  -2.867
  155   2HH1  ARG  23          2HH1      ARG  23   3.893   6.966  -3.672
  156   1HH2  ARG  23          1HH2      ARG  23   1.883   6.418  -0.778
  157   2HH2  ARG  23          2HH2      ARG  23   1.831   6.768  -2.478
  158    H    CYS  24           H        CYS  24   3.260   1.489  -0.685
  159    HA   CYS  24           HA       CYS  24   2.471   0.290  -3.242
  160   1HB   CYS  24          1HB       CYS  24   1.219   0.296  -0.458
  161   2HB   CYS  24          2HB       CYS  24   0.245  -0.114  -1.897
  162    H    VAL  25           H        VAL  25   1.920   1.668  -4.799
  163    HA   VAL  25           HA       VAL  25   0.645   4.135  -4.265
  164    HB   VAL  25           HB       VAL  25   0.401   4.408  -6.661
  165   1HG1  VAL  25          1HG1      VAL  25   2.831   4.666  -7.010
  166   2HG1  VAL  25          2HG1      VAL  25   3.195   3.493  -5.684
  167   3HG1  VAL  25          3HG1      VAL  25   2.431   5.085  -5.305
  168   1HG2  VAL  25          1HG2      VAL  25   0.109   2.017  -7.376
  169   2HG2  VAL  25          2HG2      VAL  25   1.807   1.649  -6.866
  170   3HG2  VAL  25          3HG2      VAL  25   1.495   2.795  -8.207
  171    H    ASP  26           H        ASP  26  -0.484   0.948  -4.688
  172    HA   ASP  26           HA       ASP  26  -3.167   1.646  -5.414
  173   1HB   ASP  26          1HB       ASP  26  -2.056  -0.569  -5.949
  174   2HB   ASP  26          2HB       ASP  26  -2.211  -1.005  -4.216
  175    HD2  ASP  26           HD2      ASP  26  -3.989  -0.103  -7.121
  176    H    VAL  27           H        VAL  27  -4.314   2.882  -4.104
  177    HA   VAL  27           HA       VAL  27  -4.077   2.733  -1.244
  178    HB   VAL  27           HB       VAL  27  -5.527   4.640  -1.160
  179   1HG1  VAL  27          1HG1      VAL  27  -3.097   4.888  -1.668
  180   2HG1  VAL  27          2HG1      VAL  27  -4.096   6.205  -2.403
  181   3HG1  VAL  27          3HG1      VAL  27  -3.459   4.875  -3.433
  182   1HG2  VAL  27          1HG2      VAL  27  -7.168   4.078  -2.940
  183   2HG2  VAL  27          2HG2      VAL  27  -5.904   4.323  -4.210
  184   3HG2  VAL  27          3HG2      VAL  27  -6.444   5.699  -3.191
  185    H    ARG  28           H        ARG  28  -5.701   2.475   0.278
  186    HA   ARG  28           HA       ARG  28  -7.906   0.754  -0.649
  187   1HB   ARG  28          1HB       ARG  28  -5.944   0.389   1.671
  188   2HB   ARG  28          2HB       ARG  28  -7.434  -0.606   1.520
  189   1HG   ARG  28          1HG       ARG  28  -5.096  -0.506  -0.461
  190   2HG   ARG  28          2HG       ARG  28  -5.480  -1.835   0.699
  191   1HD   ARG  28          1HD       ARG  28  -7.611  -2.346  -0.512
  192   2HD   ARG  28          2HD       ARG  28  -7.376  -0.920  -1.572
  193    HE   ARG  28           HE       ARG  28  -5.684  -1.941  -2.767
  194   1HH1  ARG  28          1HH1      ARG  28  -6.545  -4.156  -0.037
  195   2HH1  ARG  28          2HH1      ARG  28  -5.919  -5.536  -0.867
  196   1HH2  ARG  28          1HH2      ARG  28  -4.874  -3.786  -3.752
  197   2HH2  ARG  28          2HH2      ARG  28  -4.995  -5.344  -3.002
  198    H    GLU  29           H        GLU  29  -9.481   0.223   0.970
  199    HA   GLU  29           HA       GLU  29 -10.652   2.273   2.464
  200   1HB   GLU  29          1HB       GLU  29 -10.775  -0.770   2.309
  201   2HB   GLU  29          2HB       GLU  29 -11.822   0.157   3.462
  202   1HG   GLU  29          1HG       GLU  29 -12.962   1.263   1.564
  203   2HG   GLU  29          2HG       GLU  29 -11.792   0.577   0.383
  204    HE2  GLU  29           HE2      GLU  29 -14.771  -1.679   1.770
  205    H    SER  30           H        SER  30  -8.901  -0.672   3.570
  206    HA   SER  30           HA       SER  30  -8.317   0.542   6.087
  207   1HB   SER  30          1HB       SER  30  -7.459  -2.230   5.119
  208   2HB   SER  30          2HB       SER  30  -7.146  -1.528   6.748
  209    HG   SER  30           HG       SER  30  -8.966  -2.888   6.657
  210    H    CYS  31           H        CYS  31  -6.648   1.475   6.785
  211    HA   CYS  31           HA       CYS  31  -4.106   1.145   5.290
  212   1HB   CYS  31          1HB       CYS  31  -5.037   3.463   5.317
  213   2HB   CYS  31          2HB       CYS  31  -4.840   3.481   7.116
  214    H    HIS  32           H        HIS  32  -2.564   0.020   6.324
  215    HA   HIS  32           HA       HIS  32  -3.253  -1.013   8.957
  216   1HB   HIS  32          1HB       HIS  32  -1.099  -1.869   6.932
  217   2HB   HIS  32          2HB       HIS  32  -1.513  -2.745   8.445
  218    HD1  HIS  32           HD1      HIS  32  -2.661  -1.976   5.008
  219    HD2  HIS  32           HD2      HIS  32  -3.907  -4.330   8.234
  220    HE1  HIS  32           HE1      HIS  32  -4.523  -3.405   4.164
  221    HE2  HIS  32           HE2      HIS  32  -5.242  -4.886   6.124
  222    H    SER  33           H        SER  33  -1.470  -1.285  10.560
  223    HA   SER  33           HA       SER  33  -0.019   1.227  10.757
  224   1HB   SER  33          1HB       SER  33  -1.377   0.066  12.627
  225   2HB   SER  33          2HB       SER  33   0.004  -1.073  12.797
  226    HG   SER  33           HG       SER  33  -0.104   0.905  14.157
  227    H    ALA  34           H        ALA  34   0.709  -1.515   9.145
  228    HA   ALA  34           HA       ALA  34   3.363  -2.005   9.763
  229   1HB   ALA  34          1HB       ALA  34   3.455  -3.104   7.525
  230   2HB   ALA  34          2HB       ALA  34   1.889  -2.335   7.077
  231   3HB   ALA  34          3HB       ALA  34   1.954  -3.538   8.408
  232    H    CYS  35           H        CYS  35   1.932   0.366   7.476
  233    HA   CYS  35           HA       CYS  35   4.511   1.723   7.306
  234   1HB   CYS  35          1HB       CYS  35   3.557   3.087   5.608
  235   2HB   CYS  35          2HB       CYS  35   3.104   1.364   5.321
  236    H    ASP  36           H        ASP  36   4.903   3.788   8.323
  237    HA   ASP  36           HA       ASP  36   3.480   3.887  10.792
  238   1HB   ASP  36          1HB       ASP  36   5.992   4.295  10.519
  239   2HB   ASP  36          2HB       ASP  36   5.591   5.901   9.817
  240    HD2  ASP  36           HD2      ASP  36   5.846   6.995  13.050
  241    H    LYS  37           H        LYS  37   3.300   5.976   7.909
  242    HA   LYS  37           HA       LYS  37   1.364   7.643   9.334
  243   1HB   LYS  37          1HB       LYS  37   3.560   8.770   8.568
  244   2HB   LYS  37          2HB       LYS  37   2.986   8.524   6.912
  245   1HG   LYS  37          1HG       LYS  37   2.289  10.744   7.478
  246   2HG   LYS  37          2HG       LYS  37   0.807   9.750   7.636
  247   1HD   LYS  37          1HD       LYS  37   1.356   9.557  10.176
  248   2HD   LYS  37          2HD       LYS  37   2.653  10.757   9.891
  249   1HE   LYS  37          1HE       LYS  37   0.898  12.413   9.106
  250   2HE   LYS  37          2HE       LYS  37  -0.385  11.171   9.417
  251   1HZ   LYS  37          1HZ       LYS  37  -0.125  12.693  11.249
  252   2HZ   LYS  37          2HZ       LYS  37   1.509  12.272  11.426
  253   3HZ   LYS  37          3HZ       LYS  37   0.305  11.117  11.713
  254    H    CYS  38           H        CYS  38  -0.501   6.592   8.942
  255    HA   CYS  38           HA       CYS  38  -1.452   6.177   6.234
  256   1HB   CYS  38          1HB       CYS  38  -2.403   5.840   9.114
  257   2HB   CYS  38          2HB       CYS  38  -3.591   5.679   7.763
  258    H    VAL  39           H        VAL  39  -2.228   7.921   5.041
  259    HA   VAL  39           HA       VAL  39  -3.777   9.961   6.504
  260    HB   VAL  39           HB       VAL  39  -2.210   9.906   3.895
  261   1HG1  VAL  39          1HG1      VAL  39  -3.822  12.170   5.251
  262   2HG1  VAL  39          2HG1      VAL  39  -4.143  11.425   3.622
  263   3HG1  VAL  39          3HG1      VAL  39  -2.659  12.400   3.892
  264   1HG2  VAL  39          1HG2      VAL  39  -1.731  11.300   6.608
  265   2HG2  VAL  39          2HG2      VAL  39  -0.834  11.697   5.095
  266   3HG2  VAL  39          3HG2      VAL  39  -0.686  10.045   5.811
  267    H    CYS  40           H        CYS  40  -5.908  10.409   5.430
  268    HA   CYS  40           HA       CYS  40  -6.632   8.618   3.238
  269   1HB   CYS  40          1HB       CYS  40  -8.124   9.051   5.858
  270   2HB   CYS  40          2HB       CYS  40  -8.814   8.225   4.455
  271    H    ALA  41           H        ALA  41  -7.825   9.516   1.812
  272    HA   ALA  41           HA       ALA  41  -9.112  12.099   2.152
  273   1HB   ALA  41          1HB       ALA  41  -9.238  10.126  -0.168
  274   2HB   ALA  41          2HB       ALA  41  -8.188  11.598  -0.058
  275   3HB   ALA  41          3HB       ALA  41  -9.982  11.780  -0.097
  276    H    TYR  42           H        TYR  42 -11.133  12.403   2.759
  277    HA   TYR  42           HA       TYR  42 -12.489  10.233   3.972
  278   1HB   TYR  42          1HB       TYR  42 -13.981  12.103   4.855
  279   2HB   TYR  42          2HB       TYR  42 -12.213  12.228   5.178
  280    HD1  TYR  42           HD1      TYR  42 -14.935  13.471   2.869
  281    HD2  TYR  42           HD2      TYR  42 -10.948  14.139   4.383
  282    HE1  TYR  42           HE1      TYR  42 -14.854  15.636   1.722
  283    HE2  TYR  42           HE2      TYR  42 -10.918  16.335   3.280
  284    HH   TYR  42           HH       TYR  42 -13.452  17.307   1.002
  285    H    SER  43           H        SER  43 -12.425  10.182   1.185
  286    HA   SER  43           HA       SER  43 -14.759  10.716  -0.193
  287   1HB   SER  43          1HB       SER  43 -12.939   8.319  -0.779
  288   2HB   SER  43          2HB       SER  43 -13.849   9.386  -1.957
  289    HG   SER  43           HG       SER  43 -11.778  10.058  -2.017
  290    H    ASN  44           H        ASN  44 -15.727   8.572  -1.457
  291    HA   ASN  44           HA       ASN  44 -16.503   6.597   0.540
  292   1HB   ASN  44          1HB       ASN  44 -18.056   8.572   0.536
  293   2HB   ASN  44          2HB       ASN  44 -18.453   8.219  -1.156
  294   1HD2  ASN  44          1HD2      ASN  44 -18.331   6.574   2.141
  295   2HD2  ASN  44          2HD2      ASN  44 -19.719   5.618   1.869
  296    HA   PRO  45           HA       PRO  45 -16.050   4.652   0.694
  297   1HB   PRO  45          1HB       PRO  45 -14.324   2.593   0.110
  298   2HB   PRO  45          2HB       PRO  45 -16.070   2.432  -0.120
  299   1HG   PRO  45          1HG       PRO  45 -14.007   3.221  -2.253
  300   2HG   PRO  45          2HG       PRO  45 -15.241   1.911  -2.376
  301   1HD   PRO  45          1HD       PRO  45 -15.645   4.464  -3.390
  302   2HD   PRO  45          2HD       PRO  45 -17.027   3.530  -2.657
  303    HA   PRO  46           HA       PRO  46 -12.651   7.282   1.033
  304   1HB   PRO  46          1HB       PRO  46 -11.361   6.608   3.371
  305   2HB   PRO  46          2HB       PRO  46 -13.066   7.212   3.350
  306   1HG   PRO  46          1HG       PRO  46 -12.139   4.294   3.440
  307   2HG   PRO  46          2HG       PRO  46 -13.348   5.160   4.500
  308   1HD   PRO  46          1HD       PRO  46 -14.078   3.631   2.286
  309   2HD   PRO  46          2HD       PRO  46 -14.997   5.187   2.789
  310    H    GLN  47           H        GLN  47 -10.209   7.538   1.063
  311    HA   GLN  47           HA       GLN  47  -8.944   5.140  -0.125
  312   1HB   GLN  47          1HB       GLN  47  -8.677   8.056  -1.063
  313   2HB   GLN  47          2HB       GLN  47  -7.829   6.630  -1.760
  314   1HG   GLN  47          1HG       GLN  47 -10.897   7.006  -1.822
  315   2HG   GLN  47          2HG       GLN  47  -9.793   7.606  -3.102
  316   1HE2  GLN  47          1HE2      GLN  47 -10.977   4.658  -1.473
  317   2HE2  GLN  47          2HE2      GLN  47 -10.630   3.588  -2.812
  318    H    CYS  48           H        CYS  48  -6.820   4.920   0.543
  319    HA   CYS  48           HA       CYS  48  -5.804   6.887   2.440
  320   1HB   CYS  48          1HB       CYS  48  -6.504   3.949   3.044
  321   2HB   CYS  48          2HB       CYS  48  -5.559   5.043   4.130
  322    H    GLN  49           H        GLN  49  -3.785   6.901   2.631
  323    HA   GLN  49           HA       GLN  49  -2.198   5.228   0.849
  324   1HB   GLN  49          1HB       GLN  49  -2.153   8.190   1.704
  325   2HB   GLN  49          2HB       GLN  49  -0.750   7.415   0.863
  326   1HG   GLN  49          1HG       GLN  49  -1.603   8.331  -0.896
  327   2HG   GLN  49          2HG       GLN  49  -2.555   6.807  -0.987
  328   1HE2  GLN  49          1HE2      GLN  49  -2.967   9.541  -2.014
  329   2HE2  GLN  49          2HE2      GLN  49  -4.421  10.218  -1.288
  330    H    CYS  50           H        CYS  50  -0.383   4.405   1.566
  331    HA   CYS  50           HA       CYS  50   0.669   5.109   4.224
  332   1HB   CYS  50          1HB       CYS  50   1.709   3.287   1.956
  333   2HB   CYS  50          2HB       CYS  50   2.659   3.631   3.412
  334    H    TYR  51           H        TYR  51   0.985   7.282   4.018
  335    HA   TYR  51           HA       TYR  51   2.601   8.602   2.101
  336   1HB   TYR  51          1HB       TYR  51   1.642   9.178   4.925
  337   2HB   TYR  51          2HB       TYR  51   3.129  10.027   4.419
  338    HD1  TYR  51           HD1      TYR  51  -0.172   9.120   2.685
  339    HD2  TYR  51           HD2      TYR  51   2.626  12.274   3.700
  340    HE1  TYR  51           HE1      TYR  51  -1.491  10.715   1.452
  341    HE2  TYR  51           HE2      TYR  51   1.279  13.831   2.540
  342    HH   TYR  51           HH       TYR  51  -0.828  14.213   1.674
  343    H    ASP  52           H        ASP  52   3.334   6.827   4.971
  344    HA   ASP  52           HA       ASP  52   6.166   7.427   4.904
  345   1HB   ASP  52          1HB       ASP  52   4.923   7.043   7.061
  346   2HB   ASP  52          2HB       ASP  52   4.664   5.318   6.553
  347    HD2  ASP  52           HD2      ASP  52   7.583   4.556   8.117
  348    H    THR  53           H        THR  53   7.887   6.129   4.396
  349    HA   THR  53           HA       THR  53   7.440   4.399   2.203
  350    HB   THR  53           HB       THR  53  10.039   4.328   2.252
  351    HG1  THR  53           HG1      THR  53  10.685   5.063   4.166
  352   1HG2  THR  53          1HG2      THR  53   8.728   5.810   0.743
  353   2HG2  THR  53          2HG2      THR  53  10.110   6.721   1.439
  354   3HG2  THR  53          3HG2      THR  53   8.453   6.993   2.070
  355    H    HIS  54           H        HIS  54   8.610   2.311   1.854
  356    HA   HIS  54           HA       HIS  54   9.061   0.788   4.251
  357   1HB   HIS  54          1HB       HIS  54   6.498   0.677   3.056
  358   2HB   HIS  54          2HB       HIS  54   7.364  -0.644   2.192
  359    HD1  HIS  54           HD1      HIS  54   7.868  -2.693   3.385
  360    HD2  HIS  54           HD2      HIS  54   5.829   0.072   5.771
  361    HE1  HIS  54           HE1      HIS  54   7.073  -3.936   5.406
  362    HE2  HIS  54           HE2      HIS  54   5.794  -2.249   6.830
  363    H    LYS  55           H        LYS  55   9.897  -1.442   3.486
  364    HA   LYS  55           HA       LYS  55  11.179  -1.295   0.836
  365   1HB   LYS  55          1HB       LYS  55  13.149  -2.426   1.835
  366   2HB   LYS  55          2HB       LYS  55  12.858  -0.803   2.537
  367   1HG   LYS  55          1HG       LYS  55  11.899  -1.759   4.576
  368   2HG   LYS  55          2HG       LYS  55  12.002  -3.427   3.900
  369   1HD   LYS  55          1HD       LYS  55  14.494  -3.194   3.743
  370   2HD   LYS  55          2HD       LYS  55  14.400  -1.553   4.461
  371   1HE   LYS  55          1HE       LYS  55  13.470  -4.173   5.832
  372   2HE   LYS  55          2HE       LYS  55  15.036  -3.322   6.142
  373   1HZ   LYS  55          1HZ       LYS  55  13.369  -2.763   7.776
  374   2HZ   LYS  55          2HZ       LYS  55  12.312  -2.196   6.573
  375   3HZ   LYS  55          3HZ       LYS  55  13.777  -1.394   6.854
  376    H    PHE  56           H        PHE  56   8.706  -2.438   0.942
  377    HA   PHE  56           HA       PHE  56   9.287  -5.203   0.529
  378   1HB   PHE  56          1HB       PHE  56   8.691  -4.696   3.174
  379   2HB   PHE  56          2HB       PHE  56   7.011  -4.789   2.538
  380    HD1  PHE  56           HD1      PHE  56  10.329  -6.547   2.673
  381    HD2  PHE  56           HD2      PHE  56   6.065  -6.985   2.222
  382    HE1  PHE  56           HE1      PHE  56  10.557  -8.990   2.852
  383    HE2  PHE  56           HE2      PHE  56   6.293  -9.418   2.408
  384    HZ   PHE  56           HZ       PHE  56   8.538 -10.449   2.722
  385    H    CYS  57           H        CYS  57   7.280  -6.328  -0.293
  386    HA   CYS  57           HA       CYS  57   5.178  -4.531  -1.224
  387   1HB   CYS  57          1HB       CYS  57   6.851  -4.821  -3.101
  388   2HB   CYS  57          2HB       CYS  57   6.718  -6.591  -2.917
  389    H    TYR  58           H        TYR  58   3.221  -5.443  -0.811
  390    HA   TYR  58           HA       TYR  58   3.201  -8.277   0.073
  391   1HB   TYR  58          1HB       TYR  58   1.256  -5.975   0.558
  392   2HB   TYR  58          2HB       TYR  58   0.841  -7.702   0.834
  393    HD1  TYR  58           HD1      TYR  58   3.043  -4.879   2.002
  394    HD2  TYR  58           HD2      TYR  58   1.888  -8.995   2.639
  395    HE1  TYR  58           HE1      TYR  58   4.105  -4.846   4.170
  396    HE2  TYR  58           HE2      TYR  58   2.953  -8.951   4.817
  397    HH   TYR  58           HH       TYR  58   4.292  -7.767   6.259
  398    H    LYS  59           H        LYS  59   1.800  -9.677  -0.733
  399    HA   LYS  59           HA       LYS  59   1.240  -9.790  -3.412
  400   1HB   LYS  59          1HB       LYS  59  -0.187 -11.370  -1.237
  401   2HB   LYS  59          2HB       LYS  59   0.044 -11.832  -2.957
  402   1HG   LYS  59          1HG       LYS  59   1.867 -13.025  -2.240
  403   2HG   LYS  59          2HG       LYS  59   2.700 -11.468  -2.043
  404   1HD   LYS  59          1HD       LYS  59   1.221 -11.626   0.353
  405   2HD   LYS  59          2HD       LYS  59   1.500 -13.350   0.004
  406   1HE   LYS  59          1HE       LYS  59   3.932 -13.075   0.044
  407   2HE   LYS  59          2HE       LYS  59   3.785 -11.271   0.066
  408   1HZ   LYS  59          1HZ       LYS  59   4.248 -12.094   2.225
  409   2HZ   LYS  59          2HZ       LYS  59   2.904 -13.129   2.201
  410   3HZ   LYS  59          3HZ       LYS  59   2.677 -11.448   2.196
  411    H    ALA  60           H        ALA  60  -0.853 -10.133  -4.523
  412    HA   ALA  60           HA       ALA  60  -2.572  -7.921  -3.932
  413   1HB   ALA  60          1HB       ALA  60  -2.662 -10.105  -6.058
  414   2HB   ALA  60          2HB       ALA  60  -1.868  -8.498  -6.237
  415   3HB   ALA  60          3HB       ALA  60  -3.665  -8.593  -6.060
  416    H    CYS  61           H        CYS  61  -4.485  -7.871  -3.034
  417    HA   CYS  61           HA       CYS  61  -6.123 -10.254  -2.836
  418   1HB   CYS  61          1HB       CYS  61  -5.970  -8.103  -0.659
  419   2HB   CYS  61          2HB       CYS  61  -6.957  -9.599  -0.607
  420    H    HIS  62           H        HIS  62  -7.842  -9.688  -4.144
  421    HA   HIS  62           HA       HIS  62  -7.559  -7.147  -5.380
  422   1HB   HIS  62          1HB       HIS  62  -9.736  -9.226  -5.843
  423   2HB   HIS  62          2HB       HIS  62  -9.271  -7.888  -6.946
  424    HD1  HIS  62           HD1      HIS  62  -6.440  -8.031  -7.384
  425    HD2  HIS  62           HD2      HIS  62  -8.547 -11.584  -6.654
  426    HE1  HIS  62           HE1      HIS  62  -5.061  -9.906  -8.314
  427    HE2  HIS  62           HE2      HIS  62  -6.337 -12.057  -7.813
  428    H    ASN  63           H        ASN  63  -8.358  -5.236  -4.586
  429    HA   ASN  63           HA       ASN  63 -10.289  -5.188  -2.607
  430   1HB   ASN  63          1HB       ASN  63 -10.139  -2.744  -2.649
  431   2HB   ASN  63          2HB       ASN  63  -8.563  -3.544  -2.543
  432   1HD2  ASN  63          1HD2      ASN  63  -7.054  -3.269  -4.516
  433   2HD2  ASN  63          2HD2      ASN  63  -7.529  -2.237  -5.800
  434    H    SER  64           H        SER  64 -10.593  -3.526  -5.621
  435    HA   SER  64           HA       SER  64 -13.549  -3.856  -5.555
  436   1HB   SER  64          1HB       SER  64 -11.882  -1.648  -6.907
  437   2HB   SER  64          2HB       SER  64 -13.688  -1.716  -6.801
  438    HG   SER  64           HG       SER  64 -11.722  -1.174  -4.855
  439    H    GLU  65           H        GLU  65 -14.662  -4.217  -7.542
  440    HA   GLU  65           HA       GLU  65 -13.578  -5.759  -9.507
  441   1HB   GLU  65          1HB       GLU  65 -16.114  -4.091  -9.776
  442   2HB   GLU  65          2HB       GLU  65 -15.626  -5.557 -10.702
  443   1HG   GLU  65          1HG       GLU  65 -17.057  -6.604  -9.266
  444   2HG   GLU  65          2HG       GLU  65 -15.624  -6.700  -8.209
  445    HE2  GLU  65           HE2      GLU  65 -16.952  -3.891  -6.288
  446    H    ILE  66           H        ILE  66 -11.729  -4.440  -9.812
  447    HA   ILE  66           HA       ILE  66 -11.740  -3.238 -12.425
  448    HB   ILE  66           HB       ILE  66 -12.218  -1.330 -10.970
  449   1HG1  ILE  66          1HG1      ILE  66  -9.377  -1.323 -12.182
  450   2HG1  ILE  66          2HG1      ILE  66 -10.910  -1.210 -13.097
  451   1HG2  ILE  66          1HG2      ILE  66 -10.731  -0.429  -9.329
  452   2HG2  ILE  66          2HG2      ILE  66  -9.469  -1.663  -9.635
  453   3HG2  ILE  66          3HG2      ILE  66 -11.054  -2.127  -8.873
  454   1HD1  ILE  66          1HD1      ILE  66  -9.838   0.844 -11.043
  455   2HD1  ILE  66          2HD1      ILE  66 -11.451   0.949 -11.828
  456   3HD1  ILE  66          3HD1      ILE  66  -9.953   1.054 -12.820
  457    H    GLU  67           H        GLU  67  -9.796  -4.086  -9.478
  458    HA   GLU  67           HA       GLU  67  -7.983  -5.589 -11.152
  459   1HB   GLU  67          1HB       GLU  67  -7.212  -3.351  -9.191
  460   2HB   GLU  67          2HB       GLU  67  -6.062  -4.647  -9.672
  461   1HG   GLU  67          1HG       GLU  67  -6.010  -3.932 -11.996
  462   2HG   GLU  67          2HG       GLU  67  -7.367  -2.783 -11.767
  463    HE2  GLU  67           HE2      GLU  67  -7.067  -1.075 -10.576
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  -7.901 -21.802   5.304
    2   2H    GLY   1          2H        GLY   1  -8.034 -22.376   6.897
    3   3H    GLY   1          3H        GLY   1  -6.527 -21.871   6.298
    4   1HA   GLY   1          1HA       GLY   1  -8.875 -20.147   6.630
    5   2HA   GLY   1          2HA       GLY   1  -7.482 -20.276   7.783
    6    H    ASP   2           H        ASP   2  -8.169 -17.813   6.839
    7    HA   ASP   2           HA       ASP   2  -5.755 -16.995   5.443
    8   1HB   ASP   2          1HB       ASP   2  -8.581 -16.470   4.246
    9   2HB   ASP   2          2HB       ASP   2  -7.083 -15.623   3.717
   10    HD2  ASP   2           HD2      ASP   2  -7.932 -19.242   2.345
   11    H    ASP   3           H        ASP   3  -6.213 -16.598   7.958
   12    HA   ASP   3           HA       ASP   3  -7.153 -13.853   8.264
   13   1HB   ASP   3          1HB       ASP   3  -7.369 -14.328  10.675
   14   2HB   ASP   3          2HB       ASP   3  -8.401 -15.399   9.676
   15    HD2  ASP   3           HD2      ASP   3  -6.652 -18.314  10.420
   16    H    VAL   4           H        VAL   4  -5.369 -12.856   7.441
   17    HA   VAL   4           HA       VAL   4  -2.837 -13.184   8.908
   18    HB   VAL   4           HB       VAL   4  -3.185 -12.596   5.930
   19   1HG1  VAL   4          1HG1      VAL   4  -1.067 -11.708   6.813
   20   2HG1  VAL   4          2HG1      VAL   4  -0.703 -13.193   5.894
   21   3HG1  VAL   4          3HG1      VAL   4  -0.721 -13.227   7.702
   22   1HG2  VAL   4          1HG2      VAL   4  -3.932 -14.940   6.325
   23   2HG2  VAL   4          2HG2      VAL   4  -2.485 -15.265   7.342
   24   3HG2  VAL   4          3HG2      VAL   4  -2.308 -14.949   5.579
   25    H    LYS   5           H        LYS   5  -1.978 -11.264   9.664
   26    HA   LYS   5           HA       LYS   5  -3.457  -8.814   9.063
   27   1HB   LYS   5          1HB       LYS   5  -1.605  -9.631  11.351
   28   2HB   LYS   5          2HB       LYS   5  -2.326  -8.009  11.167
   29   1HG   LYS   5          1HG       LYS   5  -4.642  -9.116  11.153
   30   2HG   LYS   5          2HG       LYS   5  -3.845 -10.670  11.533
   31   1HD   LYS   5          1HD       LYS   5  -4.734  -9.641  13.582
   32   2HD   LYS   5          2HD       LYS   5  -2.941  -9.719  13.661
   33   1HE   LYS   5          1HE       LYS   5  -2.770  -7.283  13.121
   34   2HE   LYS   5          2HE       LYS   5  -4.560  -7.188  12.895
   35   1HZ   LYS   5          1HZ       LYS   5  -3.155  -7.954  15.393
   36   2HZ   LYS   5          2HZ       LYS   5  -4.834  -7.794  15.181
   37   3HZ   LYS   5          3HZ       LYS   5  -3.830  -6.429  15.048
   38    H    SER   6           H        SER   6  -1.294 -10.045   7.479
   39    HA   SER   6           HA       SER   6   0.994  -8.415   7.412
   40   1HB   SER   6          1HB       SER   6   1.314  -9.217   5.058
   41   2HB   SER   6          2HB       SER   6   0.889 -10.561   6.181
   42    HG   SER   6           HG       SER   6  -0.687  -9.294   4.200
   43    H    ALA   7           H        ALA   7   1.611  -6.676   6.010
   44    HA   ALA   7           HA       ALA   7  -0.490  -4.965   5.032
   45   1HB   ALA   7          1HB       ALA   7   1.384  -3.680   3.975
   46   2HB   ALA   7          2HB       ALA   7   2.518  -5.016   4.400
   47   3HB   ALA   7          3HB       ALA   7   1.746  -4.042   5.698
   48    H    CYS   8           H        CYS   8  -1.135  -4.637   2.898
   49    HA   CYS   8           HA       CYS   8  -0.358  -6.657   0.914
   50   1HB   CYS   8          1HB       CYS   8  -2.594  -7.220   0.316
   51   2HB   CYS   8          2HB       CYS   8  -2.433  -7.465   2.079
   52    H    CYS   9           H        CYS   9  -0.825  -6.065  -1.332
   53    HA   CYS   9           HA       CYS   9  -1.398  -3.241  -1.750
   54   1HB   CYS   9          1HB       CYS   9   1.057  -3.547  -0.924
   55   2HB   CYS   9          2HB       CYS   9   1.352  -4.468  -2.416
   56    H    ASP  10           H        ASP  10  -2.455  -3.122  -3.768
   57    HA   ASP  10           HA       ASP  10  -2.227  -5.468  -5.504
   58   1HB   ASP  10          1HB       ASP  10  -3.908  -2.931  -5.617
   59   2HB   ASP  10          2HB       ASP  10  -4.028  -4.228  -6.796
   60    HD2  ASP  10           HD2      ASP  10  -6.444  -4.546  -3.928
   61    H    THR  11           H        THR  11  -1.230  -2.001  -5.579
   62    HA   THR  11           HA       THR  11   0.449  -2.466  -7.920
   63    HB   THR  11           HB       THR  11  -1.918  -0.509  -7.691
   64    HG1  THR  11           HG1      THR  11  -1.383  -2.569  -9.581
   65   1HG2  THR  11          1HG2      THR  11  -0.072   0.677  -8.868
   66   2HG2  THR  11          2HG2      THR  11  -1.333   0.213 -10.047
   67   3HG2  THR  11          3HG2      THR  11   0.199  -0.738  -9.949
   68    H    CYS  12           H        CYS  12   2.163  -1.095  -7.970
   69    HA   CYS  12           HA       CYS  12   2.521   0.846  -5.838
   70   1HB   CYS  12          1HB       CYS  12   4.266  -0.686  -4.834
   71   2HB   CYS  12          2HB       CYS  12   2.611  -1.400  -4.865
   72    H    LEU  13           H        LEU  13   4.932   1.244  -5.633
   73    HA   LEU  13           HA       LEU  13   6.297   1.462  -8.224
   74   1HB   LEU  13          1HB       LEU  13   4.670   3.308  -7.966
   75   2HB   LEU  13          2HB       LEU  13   5.368   3.754  -6.389
   76    HG   LEU  13           HG       LEU  13   6.893   3.801  -9.095
   77   1HD1  LEU  13          1HD1      LEU  13   4.912   5.276  -9.214
   78   2HD1  LEU  13          2HD1      LEU  13   6.409   6.267  -9.107
   79   3HD1  LEU  13          3HD1      LEU  13   5.357   6.056  -7.655
   80   1HD2  LEU  13          1HD2      LEU  13   8.523   3.883  -7.280
   81   2HD2  LEU  13          2HD2      LEU  13   7.518   5.038  -6.338
   82   3HD2  LEU  13          3HD2      LEU  13   8.321   5.561  -7.878
   83    H    CYS  14           H        CYS  14   8.013   0.411  -7.671
   84    HA   CYS  14           HA       CYS  14   9.456   1.025  -5.229
   85   1HB   CYS  14          1HB       CYS  14  10.081  -1.043  -7.356
   86   2HB   CYS  14          2HB       CYS  14  10.952  -0.824  -5.827
   87    H    THR  15           H        THR  15  11.436   1.971  -5.027
   88    HA   THR  15           HA       THR  15  12.084   3.724  -7.224
   89    HB   THR  15           HB       THR  15  13.782   4.719  -5.835
   90    HG1  THR  15           HG1      THR  15  13.650   4.046  -3.586
   91   1HG2  THR  15          1HG2      THR  15  12.219   5.641  -4.135
   92   2HG2  THR  15          2HG2      THR  15  11.113   4.230  -4.314
   93   3HG2  THR  15          3HG2      THR  15  11.334   5.376  -5.679
   94    H    ARG  16           H        ARG  16  14.030   3.997  -8.301
   95    HA   ARG  16           HA       ARG  16  16.051   1.931  -8.141
   96   1HB   ARG  16          1HB       ARG  16  15.650   4.432  -9.834
   97   2HB   ARG  16          2HB       ARG  16  17.303   3.769  -9.642
   98   1HG   ARG  16          1HG       ARG  16  14.967   2.097 -10.688
   99   2HG   ARG  16          2HG       ARG  16  16.091   3.043 -11.719
  100   1HD   ARG  16          1HD       ARG  16  18.054   1.788 -10.872
  101   2HD   ARG  16          2HD       ARG  16  17.013   0.798  -9.783
  102    HE   ARG  16           HE       ARG  16  17.295   0.589 -12.731
  103   1HH1  ARG  16          1HH1      ARG  16  15.361  -0.365  -9.876
  104   2HH1  ARG  16          2HH1      ARG  16  14.848  -1.866 -10.577
  105   1HH2  ARG  16          1HH2      ARG  16  16.597  -1.416 -13.632
  106   2HH2  ARG  16          2HH2      ARG  16  15.550  -2.463 -12.730
  107    H    SER  17           H        SER  17  17.535   2.057  -6.499
  108    HA   SER  17           HA       SER  17  18.796   4.385  -5.645
  109   1HB   SER  17          1HB       SER  17  16.432   4.743  -4.561
  110   2HB   SER  17          2HB       SER  17  16.812   3.330  -3.535
  111    HG   SER  17           HG       SER  17  17.402   5.348  -2.557
  112    H    GLN  18           H        GLN  18  19.380   3.592  -3.065
  113    HA   GLN  18           HA       GLN  18  20.398   0.859  -3.074
  114   1HB   GLN  18          1HB       GLN  18  22.132   3.374  -3.302
  115   2HB   GLN  18          2HB       GLN  18  22.759   1.862  -2.567
  116   1HG   GLN  18          1HG       GLN  18  22.265   0.614  -4.750
  117   2HG   GLN  18          2HG       GLN  18  21.770   2.181  -5.476
  118   1HE2  GLN  18          1HE2      GLN  18  24.576   0.749  -3.656
  119   2HE2  GLN  18          2HE2      GLN  18  25.779   1.548  -4.637
  120    HA   PRO  19           HA       PRO  19  19.480  -0.402  -1.717
  121   1HB   PRO  19          1HB       PRO  19  17.662  -1.053   0.257
  122   2HB   PRO  19          2HB       PRO  19  19.465  -1.194   0.525
  123   1HG   PRO  19          1HG       PRO  19  17.655   1.166   1.302
  124   2HG   PRO  19          2HG       PRO  19  18.786   0.231   2.374
  125   1HD   PRO  19          1HD       PRO  19  19.522   2.593   1.109
  126   2HD   PRO  19          2HD       PRO  19  20.714   1.226   1.333
  127    HA   PRO  20           HA       PRO  20  15.715   1.428  -3.401
  128   1HB   PRO  20          1HB       PRO  20  14.233  -0.758  -4.213
  129   2HB   PRO  20          2HB       PRO  20  15.773  -0.297  -5.029
  130   1HG   PRO  20          1HG       PRO  20  15.403  -2.353  -2.792
  131   2HG   PRO  20          2HG       PRO  20  16.221  -2.593  -4.397
  132   1HD   PRO  20          1HD       PRO  20  17.643  -1.988  -2.104
  133   2HD   PRO  20          2HD       PRO  20  18.119  -1.261  -3.722
  134    H    THR  21           H        THR  21  13.348   1.452  -3.116
  135    HA   THR  21           HA       THR  21  12.291   0.438  -0.624
  136    HB   THR  21           HB       THR  21  13.797   2.238   0.156
  137    HG1  THR  21           HG1      THR  21  12.398   2.934   1.532
  138   1HG2  THR  21          1HG2      THR  21  13.001   4.635  -0.179
  139   2HG2  THR  21          2HG2      THR  21  11.952   4.067  -1.524
  140   3HG2  THR  21          3HG2      THR  21  13.746   3.895  -1.627
  141    H    CYS  22           H        CYS  22   9.983   0.966  -0.436
  142    HA   CYS  22           HA       CYS  22   8.878   1.654  -3.088
  143   1HB   CYS  22          1HB       CYS  22   9.842  -0.753  -3.070
  144   2HB   CYS  22          2HB       CYS  22   8.567  -1.170  -1.902
  145    H    ARG  23           H        ARG  23   6.585   1.371  -3.264
  146    HA   ARG  23           HA       ARG  23   4.964   1.124  -0.939
  147   1HB   ARG  23          1HB       ARG  23   4.147   3.580  -0.876
  148   2HB   ARG  23          2HB       ARG  23   5.777   3.282  -0.266
  149   1HG   ARG  23          1HG       ARG  23   6.229   5.088  -1.376
  150   2HG   ARG  23          2HG       ARG  23   6.651   3.949  -2.660
  151   1HD   ARG  23          1HD       ARG  23   5.400   5.848  -3.656
  152   2HD   ARG  23          2HD       ARG  23   4.355   4.384  -3.739
  153    HE   ARG  23           HE       ARG  23   2.859   5.369  -2.334
  154   1HH1  ARG  23          1HH1      ARG  23   5.902   7.282  -1.960
  155   2HH1  ARG  23          2HH1      ARG  23   5.149   8.492  -1.013
  156   1HH2  ARG  23          1HH2      ARG  23   1.943   6.888  -1.064
  157   2HH2  ARG  23          2HH2      ARG  23   2.797   8.280  -0.452
  158    H    CYS  24           H        CYS  24   2.768   1.599  -1.264
  159    HA   CYS  24           HA       CYS  24   1.843   0.744  -3.858
  160   1HB   CYS  24          1HB       CYS  24   0.257   1.583  -1.370
  161   2HB   CYS  24          2HB       CYS  24  -0.388   0.650  -2.758
  162    H    VAL  25           H        VAL  25  -0.098   1.856  -4.675
  163    HA   VAL  25           HA       VAL  25  -0.307   4.743  -4.669
  164    HB   VAL  25           HB       VAL  25   0.343   5.012  -7.005
  165   1HG1  VAL  25          1HG1      VAL  25   2.203   5.255  -5.287
  166   2HG1  VAL  25          2HG1      VAL  25   2.775   4.831  -6.947
  167   3HG1  VAL  25          3HG1      VAL  25   2.713   3.568  -5.671
  168   1HG2  VAL  25          1HG2      VAL  25  -0.178   2.837  -8.032
  169   2HG2  VAL  25          2HG2      VAL  25   0.942   1.999  -6.900
  170   3HG2  VAL  25          3HG2      VAL  25   1.590   3.056  -8.203
  171    H    ASP  26           H        ASP  26  -1.679   1.482  -5.737
  172    HA   ASP  26           HA       ASP  26  -4.071   2.928  -6.326
  173   1HB   ASP  26          1HB       ASP  26  -5.250   0.865  -5.845
  174   2HB   ASP  26          2HB       ASP  26  -3.841   0.523  -6.903
  175    HD2  ASP  26           HD2      ASP  26  -5.475  -0.562  -4.367
  176    H    VAL  27           H        VAL  27  -5.596   3.796  -4.867
  177    HA   VAL  27           HA       VAL  27  -4.829   3.823  -2.045
  178    HB   VAL  27           HB       VAL  27  -6.453   5.326  -1.607
  179   1HG1  VAL  27          1HG1      VAL  27  -5.523   6.020  -4.468
  180   2HG1  VAL  27          2HG1      VAL  27  -4.492   6.159  -3.007
  181   3HG1  VAL  27          3HG1      VAL  27  -5.972   7.180  -3.168
  182   1HG2  VAL  27          1HG2      VAL  27  -8.457   4.380  -2.675
  183   2HG2  VAL  27          2HG2      VAL  27  -7.773   4.658  -4.320
  184   3HG2  VAL  27          3HG2      VAL  27  -8.243   6.050  -3.279
  185    H    ARG  28           H        ARG  28  -6.105   2.885  -0.360
  186    HA   ARG  28           HA       ARG  28  -8.351   1.325  -1.119
  187   1HB   ARG  28          1HB       ARG  28  -7.519  -0.902  -0.796
  188   2HB   ARG  28          2HB       ARG  28  -6.596  -0.105  -2.038
  189   1HG   ARG  28          1HG       ARG  28  -4.801  -0.969  -0.993
  190   2HG   ARG  28          2HG       ARG  28  -4.913   0.539  -0.018
  191   1HD   ARG  28          1HD       ARG  28  -4.549  -1.695   1.291
  192   2HD   ARG  28          2HD       ARG  28  -5.879  -0.594   1.830
  193    HE   ARG  28           HE       ARG  28  -7.329  -2.319   1.474
  194   1HH1  ARG  28          1HH1      ARG  28  -4.740  -2.761  -0.969
  195   2HH1  ARG  28          2HH1      ARG  28  -5.551  -4.106  -1.707
  196   1HH2  ARG  28          1HH2      ARG  28  -8.310  -4.059   0.476
  197   2HH2  ARG  28          2HH2      ARG  28  -7.580  -4.845  -0.910
  198    H    GLU  29           H        GLU  29  -8.914  -0.329   0.616
  199    HA   GLU  29           HA       GLU  29  -9.889   1.155   2.705
  200   1HB   GLU  29          1HB       GLU  29  -9.732  -1.747   1.905
  201   2HB   GLU  29          2HB       GLU  29 -10.610  -1.269   3.413
  202   1HG   GLU  29          1HG       GLU  29 -12.154   0.161   2.022
  203   2HG   GLU  29          2HG       GLU  29 -11.246  -0.270   0.526
  204    HE2  GLU  29           HE2      GLU  29 -13.850  -2.824   2.122
  205    H    SER  30           H        SER  30  -7.731  -1.699   3.207
  206    HA   SER  30           HA       SER  30  -7.401  -0.904   5.894
  207   1HB   SER  30          1HB       SER  30  -5.763  -3.044   4.433
  208   2HB   SER  30          2HB       SER  30  -5.748  -2.726   6.208
  209    HG   SER  30           HG       SER  30  -7.142  -4.433   5.646
  210    H    CYS  31           H        CYS  31  -6.079   0.243   6.992
  211    HA   CYS  31           HA       CYS  31  -3.397   0.886   5.896
  212   1HB   CYS  31          1HB       CYS  31  -5.380   2.502   7.361
  213   2HB   CYS  31          2HB       CYS  31  -3.783   2.481   8.229
  214    H    HIS  32           H        HIS  32  -1.598   0.757   7.540
  215    HA   HIS  32           HA       HIS  32  -2.182  -0.905   9.851
  216   1HB   HIS  32          1HB       HIS  32  -0.355  -1.722   7.520
  217   2HB   HIS  32          2HB       HIS  32  -0.044  -2.340   9.185
  218    HD1  HIS  32           HD1      HIS  32  -2.433  -2.523   6.375
  219    HD2  HIS  32           HD2      HIS  32  -1.677  -4.514   9.982
  220    HE1  HIS  32           HE1      HIS  32  -3.885  -4.552   6.399
  221    HE2  HIS  32           HE2      HIS  32  -3.390  -5.774   8.599
  222    H    SER  33           H        SER  33  -0.291  -1.041  11.306
  223    HA   SER  33           HA       SER  33   0.953   1.469  11.607
  224   1HB   SER  33          1HB       SER  33   1.518  -1.229  12.993
  225   2HB   SER  33          2HB       SER  33   2.043   0.379  13.614
  226    HG   SER  33           HG       SER  33   0.128  -0.355  14.573
  227    H    ALA  34           H        ALA  34   1.780  -0.997   9.556
  228    HA   ALA  34           HA       ALA  34   4.555  -1.122   9.719
  229   1HB   ALA  34          1HB       ALA  34   3.116  -2.832   8.583
  230   2HB   ALA  34          2HB       ALA  34   4.331  -2.195   7.436
  231   3HB   ALA  34          3HB       ALA  34   2.629  -1.609   7.345
  232    H    CYS  35           H        CYS  35   2.519   1.359   8.471
  233    HA   CYS  35           HA       CYS  35   4.884   2.798   7.518
  234   1HB   CYS  35          1HB       CYS  35   3.517   3.951   5.925
  235   2HB   CYS  35          2HB       CYS  35   3.216   2.174   5.786
  236    H    ASP  36           H        ASP  36   4.968   5.140   8.148
  237    HA   ASP  36           HA       ASP  36   3.949   5.368  10.823
  238   1HB   ASP  36          1HB       ASP  36   5.289   7.343  11.050
  239   2HB   ASP  36          2HB       ASP  36   6.253   6.067  10.229
  240    HD2  ASP  36           HD2      ASP  36   6.524   7.822   7.263
  241    H    LYS  37           H        LYS  37   3.349   7.256   7.816
  242    HA   LYS  37           HA       LYS  37   1.086   8.537   9.158
  243   1HB   LYS  37          1HB       LYS  37   2.976   9.950   8.152
  244   2HB   LYS  37          2HB       LYS  37   2.489   9.343   6.554
  245   1HG   LYS  37          1HG       LYS  37   1.451  11.480   6.788
  246   2HG   LYS  37          2HG       LYS  37   0.139  10.283   6.997
  247   1HD   LYS  37          1HD       LYS  37   0.219  10.608   9.489
  248   2HD   LYS  37          2HD       LYS  37   1.647  11.677   9.313
  249   1HE   LYS  37          1HE       LYS  37  -0.281  13.090   9.692
  250   2HE   LYS  37          2HE       LYS  37   0.199  13.306   7.962
  251   1HZ   LYS  37          1HZ       LYS  37  -1.986  11.579   9.008
  252   2HZ   LYS  37          2HZ       LYS  37  -1.550  11.734   7.373
  253   3HZ   LYS  37          3HZ       LYS  37  -2.161  13.073   8.224
  254    H    CYS  38           H        CYS  38  -0.676   7.075   8.872
  255    HA   CYS  38           HA       CYS  38  -1.492   6.601   6.125
  256   1HB   CYS  38          1HB       CYS  38  -1.936   4.997   8.030
  257   2HB   CYS  38          2HB       CYS  38  -2.892   6.300   8.828
  258    H    VAL  39           H        VAL  39  -2.781   8.030   4.947
  259    HA   VAL  39           HA       VAL  39  -4.294  10.083   6.435
  260    HB   VAL  39           HB       VAL  39  -3.213   9.795   3.602
  261   1HG1  VAL  39          1HG1      VAL  39  -4.242  12.051   3.195
  262   2HG1  VAL  39          2HG1      VAL  39  -5.118  11.906   4.775
  263   3HG1  VAL  39          3HG1      VAL  39  -5.476  10.752   3.411
  264   1HG2  VAL  39          1HG2      VAL  39  -2.784  11.918   5.800
  265   2HG2  VAL  39          2HG2      VAL  39  -2.074  11.965   4.146
  266   3HG2  VAL  39          3HG2      VAL  39  -1.578  10.660   5.296
  267    H    CYS  40           H        CYS  40  -6.599   9.600   6.303
  268    HA   CYS  40           HA       CYS  40  -7.405   7.675   4.280
  269   1HB   CYS  40          1HB       CYS  40  -6.532   6.648   6.451
  270   2HB   CYS  40          2HB       CYS  40  -7.986   7.305   7.257
  271    H    ALA  41           H        ALA  41  -8.426   9.283   3.310
  272    HA   ALA  41           HA       ALA  41 -10.354  10.928   4.644
  273   1HB   ALA  41          1HB       ALA  41 -10.843  11.897   2.490
  274   2HB   ALA  41          2HB       ALA  41  -9.851  10.625   1.663
  275   3HB   ALA  41          3HB       ALA  41  -9.074  11.823   2.766
  276    H    TYR  42           H        TYR  42 -12.452  10.868   4.691
  277    HA   TYR  42           HA       TYR  42 -13.515   8.284   4.854
  278   1HB   TYR  42          1HB       TYR  42 -15.360   9.566   6.126
  279   2HB   TYR  42          2HB       TYR  42 -13.669   9.818   6.682
  280    HD1  TYR  42           HD1      TYR  42 -16.432  11.366   4.681
  281    HD2  TYR  42           HD2      TYR  42 -12.577  12.011   6.525
  282    HE1  TYR  42           HE1      TYR  42 -16.583  13.754   4.178
  283    HE2  TYR  42           HE2      TYR  42 -12.720  14.393   5.959
  284    HH   TYR  42           HH       TYR  42 -15.491  15.697   4.080
  285    H    SER  43           H        SER  43 -13.295   9.576   2.242
  286    HA   SER  43           HA       SER  43 -15.747  10.028   0.963
  287   1HB   SER  43          1HB       SER  43 -13.190   8.858  -0.265
  288   2HB   SER  43          2HB       SER  43 -14.527   9.724  -1.150
  289    HG   SER  43           HG       SER  43 -12.961  11.147  -0.853
  290    H    ASN  44           H        ASN  44 -15.997   8.547  -1.212
  291    HA   ASN  44           HA       ASN  44 -16.535   5.783  -0.405
  292   1HB   ASN  44          1HB       ASN  44 -18.369   7.389   0.158
  293   2HB   ASN  44          2HB       ASN  44 -18.420   7.962  -1.497
  294   1HD2  ASN  44          1HD2      ASN  44 -19.126   6.221  -3.203
  295   2HD2  ASN  44          2HD2      ASN  44 -20.398   5.199  -2.662
  296    HA   PRO  45           HA       PRO  45 -15.417   4.202  -1.006
  297   1HB   PRO  45          1HB       PRO  45 -13.256   3.005  -2.230
  298   2HB   PRO  45          2HB       PRO  45 -14.915   2.625  -2.723
  299   1HG   PRO  45          1HG       PRO  45 -13.057   4.708  -4.006
  300   2HG   PRO  45          2HG       PRO  45 -13.915   3.357  -4.842
  301   1HD   PRO  45          1HD       PRO  45 -14.996   5.901  -4.746
  302   2HD   PRO  45          2HD       PRO  45 -16.054   4.432  -4.574
  303    HA   PRO  46           HA       PRO  46 -12.666   6.893   0.884
  304   1HB   PRO  46          1HB       PRO  46 -11.011   5.423   2.542
  305   2HB   PRO  46          2HB       PRO  46 -12.794   5.504   2.781
  306   1HG   PRO  46          1HG       PRO  46 -11.251   3.341   1.247
  307   2HG   PRO  46          2HG       PRO  46 -12.440   3.138   2.624
  308   1HD   PRO  46          1HD       PRO  46 -13.199   2.910  -0.019
  309   2HD   PRO  46          2HD       PRO  46 -14.293   3.808   1.223
  310    H    GLN  47           H        GLN  47 -10.545   7.875   1.087
  311    HA   GLN  47           HA       GLN  47  -8.724   6.941  -1.044
  312   1HB   GLN  47          1HB       GLN  47  -9.275   9.831  -0.183
  313   2HB   GLN  47          2HB       GLN  47  -8.118   9.291  -1.433
  314   1HG   GLN  47          1HG       GLN  47 -11.181   8.787  -1.563
  315   2HG   GLN  47          2HG       GLN  47 -10.374  10.213  -2.291
  316   1HE2  GLN  47          1HE2      GLN  47  -8.551   9.688  -3.874
  317   2HE2  GLN  47          2HE2      GLN  47  -8.765   8.333  -4.933
  318    H    CYS  48           H        CYS  48  -7.227   5.889   0.072
  319    HA   CYS  48           HA       CYS  48  -6.277   6.939   2.608
  320   1HB   CYS  48          1HB       CYS  48  -8.520   5.821   2.886
  321   2HB   CYS  48          2HB       CYS  48  -7.880   4.374   2.133
  322    H    GLN  49           H        GLN  49  -4.320   6.469   2.972
  323    HA   GLN  49           HA       GLN  49  -2.837   4.570   1.338
  324   1HB   GLN  49          1HB       GLN  49  -2.970   7.619   1.283
  325   2HB   GLN  49          2HB       GLN  49  -1.416   6.847   0.788
  326   1HG   GLN  49          1HG       GLN  49  -2.284   5.923  -1.211
  327   2HG   GLN  49          2HG       GLN  49  -3.985   6.061  -0.674
  328   1HE2  GLN  49          1HE2      GLN  49  -4.735   8.343  -0.164
  329   2HE2  GLN  49          2HE2      GLN  49  -4.201   9.640  -1.191
  330    H    CYS  50           H        CYS  50  -0.943   4.072   2.195
  331    HA   CYS  50           HA       CYS  50   0.163   5.459   4.516
  332   1HB   CYS  50          1HB       CYS  50   1.273   3.326   2.591
  333   2HB   CYS  50          2HB       CYS  50   2.266   4.055   3.860
  334    H    TYR  51           H        TYR  51   0.435   7.512   3.996
  335    HA   TYR  51           HA       TYR  51   1.867   8.701   1.894
  336   1HB   TYR  51          1HB       TYR  51   0.743   9.575   4.560
  337   2HB   TYR  51          2HB       TYR  51   2.142  10.509   4.005
  338    HD1  TYR  51           HD1      TYR  51   1.790  12.284   2.418
  339    HD2  TYR  51           HD2      TYR  51  -1.139   9.103   2.643
  340    HE1  TYR  51           HE1      TYR  51   0.466  13.388   0.782
  341    HE2  TYR  51           HE2      TYR  51  -2.498  10.272   1.015
  342    HH   TYR  51           HH       TYR  51  -1.351  13.337  -0.534
  343    H    ASP  52           H        ASP  52   3.376   6.627   2.240
  344    HA   ASP  52           HA       ASP  52   5.939   7.626   3.313
  345   1HB   ASP  52          1HB       ASP  52   4.463   6.602   5.186
  346   2HB   ASP  52          2HB       ASP  52   4.403   5.095   4.218
  347    HD2  ASP  52           HD2      ASP  52   6.903   4.363   6.529
  348    H    THR  53           H        THR  53   7.751   6.467   2.647
  349    HA   THR  53           HA       THR  53   7.363   4.275   0.733
  350    HB   THR  53           HB       THR  53   9.680   6.284   0.723
  351    HG1  THR  53           HG1      THR  53   8.728   7.036  -1.155
  352   1HG2  THR  53          1HG2      THR  53  10.076   3.978  -0.272
  353   2HG2  THR  53          2HG2      THR  53  10.055   5.258  -1.534
  354   3HG2  THR  53          3HG2      THR  53   8.625   4.179  -1.311
  355    H    HIS  54           H        HIS  54   7.987   2.384   1.956
  356    HA   HIS  54           HA       HIS  54  10.631   2.516   2.968
  357   1HB   HIS  54          1HB       HIS  54   9.021   3.295   4.931
  358   2HB   HIS  54          2HB       HIS  54   8.810   1.534   5.190
  359    HD1  HIS  54           HD1      HIS  54  10.804   4.410   5.881
  360    HD2  HIS  54           HD2      HIS  54  11.794   0.373   5.385
  361    HE1  HIS  54           HE1      HIS  54  13.100   4.116   6.821
  362    HE2  HIS  54           HE2      HIS  54  13.691   1.641   6.514
  363    H    LYS  55           H        LYS  55   7.856   0.242   3.383
  364    HA   LYS  55           HA       LYS  55   9.642  -1.955   3.234
  365   1HB   LYS  55          1HB       LYS  55   6.665  -1.510   3.582
  366   2HB   LYS  55          2HB       LYS  55   7.163  -3.130   3.065
  367   1HG   LYS  55          1HG       LYS  55   6.857  -3.172   5.401
  368   2HG   LYS  55          2HG       LYS  55   8.589  -3.446   5.038
  369   1HD   LYS  55          1HD       LYS  55   9.114  -1.093   5.675
  370   2HD   LYS  55          2HD       LYS  55   7.378  -0.768   6.017
  371   1HE   LYS  55          1HE       LYS  55   9.115  -2.882   7.474
  372   2HE   LYS  55          2HE       LYS  55   8.777  -1.214   8.087
  373   1HZ   LYS  55          1HZ       LYS  55   6.755  -3.324   7.526
  374   2HZ   LYS  55          2HZ       LYS  55   6.422  -1.744   8.053
  375   3HZ   LYS  55          3HZ       LYS  55   7.290  -2.809   9.055
  376    H    PHE  56           H        PHE  56   8.746  -3.909   1.804
  377    HA   PHE  56           HA       PHE  56   9.161  -3.086  -0.923
  378   1HB   PHE  56          1HB       PHE  56   9.344  -5.537  -1.363
  379   2HB   PHE  56          2HB       PHE  56  10.460  -4.961  -0.114
  380    HD1  PHE  56           HD1      PHE  56   7.539  -7.058  -0.845
  381    HD2  PHE  56           HD2      PHE  56  10.045  -5.506   2.307
  382    HE1  PHE  56           HE1      PHE  56   6.784  -8.850   0.649
  383    HE2  PHE  56           HE2      PHE  56   9.275  -7.291   3.797
  384    HZ   PHE  56           HZ       PHE  56   7.654  -8.988   2.974
  385    H    CYS  57           H        CYS  57   7.709  -4.563  -2.633
  386    HA   CYS  57           HA       CYS  57   4.997  -3.639  -2.097
  387   1HB   CYS  57          1HB       CYS  57   6.109  -3.137  -4.256
  388   2HB   CYS  57          2HB       CYS  57   6.181  -4.884  -4.623
  389    H    TYR  58           H        TYR  58   3.740  -4.884  -0.964
  390    HA   TYR  58           HA       TYR  58   4.120  -7.723  -0.708
  391   1HB   TYR  58          1HB       TYR  58   2.022  -5.749   0.366
  392   2HB   TYR  58          2HB       TYR  58   1.869  -7.498   0.657
  393    HD1  TYR  58           HD1      TYR  58   3.698  -4.446   1.674
  394    HD2  TYR  58           HD2      TYR  58   3.679  -8.772   1.870
  395    HE1  TYR  58           HE1      TYR  58   5.255  -4.385   3.514
  396    HE2  TYR  58           HE2      TYR  58   5.176  -8.685   3.752
  397    HH   TYR  58           HH       TYR  58   6.545  -7.372   5.035
  398    H    LYS  59           H        LYS  59   2.370  -9.252  -0.861
  399    HA   LYS  59           HA       LYS  59   1.354  -9.667  -3.365
  400   1HB   LYS  59          1HB       LYS  59   0.553 -10.800  -0.666
  401   2HB   LYS  59          2HB       LYS  59  -0.065 -11.438  -2.226
  402   1HG   LYS  59          1HG       LYS  59   2.169 -12.119  -2.959
  403   2HG   LYS  59          2HG       LYS  59   2.966 -11.230  -1.641
  404   1HD   LYS  59          1HD       LYS  59   1.763 -12.729   0.041
  405   2HD   LYS  59          2HD       LYS  59   1.264 -13.762  -1.347
  406   1HE   LYS  59          1HE       LYS  59   3.692 -14.090  -1.959
  407   2HE   LYS  59          2HE       LYS  59   4.177 -12.973  -0.617
  408   1HZ   LYS  59          1HZ       LYS  59   4.370 -15.246   0.038
  409   2HZ   LYS  59          2HZ       LYS  59   2.737 -15.557  -0.318
  410   3HZ   LYS  59          3HZ       LYS  59   3.150 -14.488   0.938
  411    H    ALA  60           H        ALA  60  -0.769  -9.853  -4.224
  412    HA   ALA  60           HA       ALA  60  -2.292  -7.550  -3.767
  413   1HB   ALA  60          1HB       ALA  60  -2.037  -8.792  -5.963
  414   2HB   ALA  60          2HB       ALA  60  -3.751  -8.398  -5.553
  415   3HB   ALA  60          3HB       ALA  60  -3.115 -10.077  -5.297
  416    H    CYS  61           H        CYS  61  -4.447  -7.311  -3.245
  417    HA   CYS  61           HA       CYS  61  -5.015  -8.892  -0.818
  418   1HB   CYS  61          1HB       CYS  61  -4.167  -6.383  -1.025
  419   2HB   CYS  61          2HB       CYS  61  -5.878  -5.997  -1.295
  420    H    HIS  62           H        HIS  62  -6.199 -10.047  -2.899
  421    HA   HIS  62           HA       HIS  62  -8.942  -8.975  -3.128
  422   1HB   HIS  62          1HB       HIS  62  -7.674 -11.306  -4.613
  423   2HB   HIS  62          2HB       HIS  62  -9.295 -10.590  -4.872
  424    HD1  HIS  62           HD1      HIS  62  -8.323 -10.342  -7.309
  425    HD2  HIS  62           HD2      HIS  62  -6.599  -7.765  -4.479
  426    HE1  HIS  62           HE1      HIS  62  -7.150  -8.524  -8.586
  427    HE2  HIS  62           HE2      HIS  62  -6.097  -6.987  -6.855
  428    H    ASN  63           H        ASN  63  -9.702  -9.480  -1.015
  429    HA   ASN  63           HA       ASN  63  -9.365 -11.967   0.193
  430   1HB   ASN  63          1HB       ASN  63 -11.045 -11.017   1.887
  431   2HB   ASN  63          2HB       ASN  63  -9.466 -10.236   1.714
  432   1HD2  ASN  63          1HD2      ASN  63  -9.433  -7.926   0.920
  433   2HD2  ASN  63          2HD2      ASN  63 -10.889  -7.113   0.615
  434    H    SER  64           H        SER  64 -12.580 -10.667  -0.138
  435    HA   SER  64           HA       SER  64 -13.422 -13.173  -1.476
  436   1HB   SER  64          1HB       SER  64 -14.125 -12.991   0.983
  437   2HB   SER  64          2HB       SER  64 -15.213 -11.655   0.464
  438    HG   SER  64           HG       SER  64 -16.074 -13.922   0.515
  439    H    GLU  65           H        GLU  65 -15.840 -12.698  -2.292
  440    HA   GLU  65           HA       GLU  65 -15.580 -10.963  -4.445
  441   1HB   GLU  65          1HB       GLU  65 -17.749 -11.558  -5.155
  442   2HB   GLU  65          2HB       GLU  65 -16.990 -12.995  -4.435
  443   1HG   GLU  65          1HG       GLU  65 -18.374 -12.509  -2.258
  444   2HG   GLU  65          2HG       GLU  65 -19.225 -11.240  -3.207
  445    HE2  GLU  65           HE2      GLU  65 -20.533 -13.782  -5.424
  446    H    ILE  66           H        ILE  66 -17.406 -10.482  -1.489
  447    HA   ILE  66           HA       ILE  66 -18.081  -7.778  -2.201
  448    HB   ILE  66           HB       ILE  66 -19.642  -9.259  -1.079
  449   1HG1  ILE  66          1HG1      ILE  66 -19.039  -6.687   0.475
  450   2HG1  ILE  66          2HG1      ILE  66 -19.723  -6.743  -1.191
  451   1HG2  ILE  66          1HG2      ILE  66 -18.028 -10.317   0.579
  452   2HG2  ILE  66          2HG2      ILE  66 -19.428  -9.535   1.397
  453   3HG2  ILE  66          3HG2      ILE  66 -17.836  -8.723   1.398
  454   1HD1  ILE  66          1HD1      ILE  66 -21.563  -6.499   0.450
  455   2HD1  ILE  66          2HD1      ILE  66 -21.024  -7.969   1.338
  456   3HD1  ILE  66          3HD1      ILE  66 -21.672  -8.110  -0.337
  457    H    GLU  67           H        GLU  67 -17.275  -5.770  -1.111
  458    HA   GLU  67           HA       GLU  67 -14.707  -6.209   0.270
  459   1HB   GLU  67          1HB       GLU  67 -13.813  -4.232  -0.819
  460   2HB   GLU  67          2HB       GLU  67 -14.435  -5.366  -2.057
  461   1HG   GLU  67          1HG       GLU  67 -15.206  -3.366  -2.908
  462   2HG   GLU  67          2HG       GLU  67 -16.660  -3.868  -1.991
  463    HE2  GLU  67           HE2      GLU  67 -16.766  -2.852   0.236
  Start of MODEL    3
    1   1H    GLY   1          HT1       GLY   1  -7.170  -5.205  12.446
    2   2H    GLY   1          HT2       GLY   1  -6.675  -4.540  13.933
    3   3H    GLY   1          HT3       GLY   1  -7.842  -5.771  13.901
    4   1HA   GLY   1          HA2       GLY   1  -6.232  -7.299  12.998
    5   2HA   GLY   1          HA1       GLY   1  -5.014  -5.981  13.155
    6    H    ASP   2           HN       ASP   2  -3.954  -7.783  14.451
    7    HA   ASP   2           HA       ASP   2  -4.303  -7.175  17.254
    8   1HB   ASP   2          HB2       ASP   2  -4.806 -10.035  16.180
    9   2HB   ASP   2          HB1       ASP   2  -4.306  -9.720  17.880
   10    HD2  ASP   2           HD2      ASP   2  -5.563  -8.143  18.984
   11    H    ASP   3           HN       ASP   3  -2.343  -6.229  16.442
   12    HA   ASP   3           HA       ASP   3  -0.182  -6.055  16.165
   13   1HB   ASP   3          HB2       ASP   3  -0.552  -8.001  18.461
   14   2HB   ASP   3          HB1       ASP   3   1.124  -7.462  18.042
   15    HD2  ASP   3           HD2      ASP   3   0.652  -6.818  20.238
   16    H    VAL   4           HN       VAL   4  -1.098  -7.882  14.225
   17    HA   VAL   4           HA       VAL   4   1.489  -9.185  13.604
   18    HB   VAL   4           HB       VAL   4  -1.078  -9.299  11.981
   19   1HG1  VAL   4          HG11      VAL   4   1.476 -11.049  11.980
   20   2HG1  VAL   4          HG12      VAL   4   1.036  -9.874  10.681
   21   3HG1  VAL   4          HG13      VAL   4   0.017 -11.313  10.970
   22   1HG2  VAL   4          HG21      VAL   4  -1.465 -10.346  14.245
   23   2HG2  VAL   4          HG22      VAL   4   0.063 -11.280  14.076
   24   3HG2  VAL   4          HG23      VAL   4  -1.328 -11.605  12.985
   25    H    LYS   5           HN       LYS   5   2.763  -8.345  11.886
   26    HA   LYS   5           HA       LYS   5   2.093  -5.697  10.922
   27   1HB   LYS   5          HB2       LYS   5   4.415  -6.707  11.807
   28   2HB   LYS   5          HB1       LYS   5   4.605  -7.168  10.091
   29   1HG   LYS   5          HG2       LYS   5   4.092  -4.343  11.253
   30   2HG   LYS   5          HG1       LYS   5   5.690  -5.012  10.776
   31   1HD   LYS   5          HD2       LYS   5   4.797  -5.249   8.383
   32   2HD   LYS   5          HD1       LYS   5   3.320  -4.376   8.893
   33   1HE   LYS   5          HE2       LYS   5   4.837  -2.804   7.783
   34   2HE   LYS   5          HE1       LYS   5   4.763  -2.371   9.541
   35   1HZ   LYS   5          HZ1       LYS   5   6.837  -3.543   9.854
   36   2HZ   LYS   5          HZ2       LYS   5   6.995  -2.344   8.659
   37   3HZ   LYS   5          HZ3       LYS   5   6.887  -3.981   8.214
   38    H    SER   6           HN       SER   6   0.445  -7.699  10.242
   39    HA   SER   6           HA       SER   6   0.551  -8.629   7.607
   40   1HB   SER   6          HB2       SER   6  -2.037  -8.685   7.845
   41   2HB   SER   6          HB1       SER   6  -1.062  -9.644   9.010
   42    HG   SER   6           HG       SER   6  -2.855  -8.217   9.821
   43    H    ALA   7           HN       ALA   7  -0.482  -7.907   5.645
   44    HA   ALA   7           HA       ALA   7  -1.297  -5.183   5.522
   45   1HB   ALA   7          HB1       ALA   7   1.516  -6.035   4.631
   46   2HB   ALA   7          HB2       ALA   7   1.105  -4.728   5.798
   47   3HB   ALA   7          HB3       ALA   7   0.747  -4.506   4.049
   48    H    CYS   8           HN       CYS   8  -3.001  -5.493   4.224
   49    HA   CYS   8           HA       CYS   8  -2.614  -6.708   1.607
   50   1HB   CYS   8          HB2       CYS   8  -4.895  -4.957   2.645
   51   2HB   CYS   8          HB1       CYS   8  -4.881  -5.869   1.098
   52    H    CYS   9           HN       CYS   9  -0.961  -5.696   0.496
   53    HA   CYS   9           HA       CYS   9  -1.433  -2.865  -0.180
   54   1HB   CYS   9          HB2       CYS   9   0.796  -3.280   0.669
   55   2HB   CYS   9          HB1       CYS   9   1.020  -4.656  -0.447
   56    H    ASP  10           HN       ASP  10  -2.744  -2.672  -1.855
   57    HA   ASP  10           HA       ASP  10  -3.373  -4.588  -3.737
   58   1HB   ASP  10          HB2       ASP  10  -3.678  -1.525  -3.745
   59   2HB   ASP  10          HB1       ASP  10  -4.561  -2.585  -4.837
   60    HD2  ASP  10           HD2      ASP  10  -6.056  -1.170  -3.685
   61    H    THR  11           HN       THR  11  -1.139  -1.772  -4.091
   62    HA   THR  11           HA       THR  11   0.105  -2.870  -6.496
   63    HB   THR  11           HB       THR  11  -1.258  -0.116  -6.491
   64    HG1  THR  11           HG1      THR  11  -2.225  -2.578  -7.456
   65   1HG2  THR  11          HG21      THR  11   0.631  -0.330  -8.147
   66   2HG2  THR  11          HG22      THR  11  -0.954  -0.123  -8.934
   67   3HG2  THR  11          HG23      THR  11  -0.204  -1.755  -8.884
   68    H    CYS  12           HN       CYS  12   2.187  -1.830  -6.836
   69    HA   CYS  12           HA       CYS  12   3.033   0.056  -4.767
   70   1HB   CYS  12          HB2       CYS  12   4.566  -1.667  -3.894
   71   2HB   CYS  12          HB1       CYS  12   2.849  -2.273  -3.878
   72    H    LEU  13           HN       LEU  13   5.244   0.575  -4.817
   73    HA   LEU  13           HA       LEU  13   6.469   0.531  -7.490
   74   1HB   LEU  13          HB2       LEU  13   4.807   2.262  -7.604
   75   2HB   LEU  13          HB1       LEU  13   5.206   2.830  -5.935
   76    HG   LEU  13           HG       LEU  13   7.416   3.696  -6.801
   77   1HD1  LEU  13          HD11      LEU  13   6.262   2.775  -9.515
   78   2HD1  LEU  13          HD12      LEU  13   7.743   2.133  -8.705
   79   3HD1  LEU  13          HD13      LEU  13   7.711   3.828  -9.296
   80   1HD2  LEU  13          HD21      LEU  13   5.420   5.210  -6.713
   81   2HD2  LEU  13          HD22      LEU  13   4.969   4.717  -8.391
   82   3HD2  LEU  13          HD23      LEU  13   6.502   5.607  -8.095
   83    H    CYS  14           HN       CYS  14   8.381  -0.137  -7.010
   84    HA   CYS  14           HA       CYS  14   9.881   1.110  -4.857
   85   1HB   CYS  14          HB2       CYS  14  10.620  -1.276  -6.583
   86   2HB   CYS  14          HB1       CYS  14  11.591  -0.589  -5.267
   87    H    THR  15           HN       THR  15  11.418   2.527  -5.179
   88    HA   THR  15           HA       THR  15  11.588   3.758  -7.751
   89    HB   THR  15           HB       THR  15  13.254   5.270  -6.779
   90    HG1  THR  15           HG1      THR  15  13.636   5.099  -4.586
   91   1HG2  THR  15          HG21      THR  15  10.755   5.605  -6.529
   92   2HG2  THR  15          HG22      THR  15  11.691   6.296  -5.156
   93   3HG2  THR  15          HG23      THR  15  10.801   4.751  -4.947
   94    H    ARG  16           HN       ARG  16  13.407   4.246  -9.044
   95    HA   ARG  16           HA       ARG  16  15.714   2.512  -8.749
   96   1HB   ARG  16          HB2       ARG  16  16.682   3.227 -10.675
   97   2HB   ARG  16          HB1       ARG  16  14.939   3.080 -11.091
   98   1HG   ARG  16          HG2       ARG  16  14.667   5.498 -11.122
   99   2HG   ARG  16          HG1       ARG  16  16.308   5.762 -10.414
  100   1HD   ARG  16          HD2       ARG  16  17.353   4.690 -12.423
  101   2HD   ARG  16          HD1       ARG  16  15.711   4.619 -13.218
  102    HE   ARG  16           HE       ARG  16  15.939   7.267 -12.378
  103   1HH1  ARG  16          HH11      ARG  16  17.981   5.171 -14.482
  104   2HH1  ARG  16          HH12      ARG  16  18.640   6.511 -15.346
  105   1HH2  ARG  16          HH21      ARG  16  16.840   9.007 -13.608
  106   2HH2  ARG  16          HH22      ARG  16  17.960   8.681 -14.893
  107    H    SER  17           HN       SER  17  17.377   3.078  -7.445
  108    HA   SER  17           HA       SER  17  18.405   5.592  -7.027
  109   1HB   SER  17          HB2       SER  17  16.200   5.964  -5.676
  110   2HB   SER  17          HB1       SER  17  16.796   4.707  -4.551
  111    HG   SER  17           HG       SER  17  17.279   6.978  -4.029
  112    H    GLN  18           HN       GLN  18  19.490   5.153  -4.475
  113    HA   GLN  18           HA       GLN  18  20.378   2.376  -4.384
  114   1HB   GLN  18          HB2       GLN  18  21.673   3.751  -6.124
  115   2HB   GLN  18          HB1       GLN  18  22.486   4.538  -4.758
  116   1HG   GLN  18          HG2       GLN  18  22.406   1.484  -5.422
  117   2HG   GLN  18          HG1       GLN  18  23.786   2.593  -5.722
  118   1HE2  GLN  18          HE21      GLN  18  22.375   0.429  -3.444
  119   2HE2  GLN  18          HE22      GLN  18  23.539   0.741  -2.177
  120    HA   PRO  19           HA       PRO  19  19.915   1.145  -2.779
  121   1HB   PRO  19          HB2       PRO  19  18.401   0.656  -0.510
  122   2HB   PRO  19          HB1       PRO  19  20.227   0.561  -0.501
  123   1HG   PRO  19          HG2       PRO  19  18.488   2.985   0.278
  124   2HG   PRO  19          HG1       PRO  19  19.755   2.160   1.274
  125   1HD   PRO  19          HD2       PRO  19  20.353   4.377  -0.251
  126   2HD   PRO  19          HD1       PRO  19  21.536   2.992  -0.150
  127    HA   PRO  20           HA       PRO  20  15.914   2.558  -4.254
  128   1HB   PRO  20          HB2       PRO  20  14.476   0.223  -4.548
  129   2HB   PRO  20          HB1       PRO  20  15.955   0.544  -5.535
  130   1HG   PRO  20          HG2       PRO  20  15.794  -1.057  -2.918
  131   2HG   PRO  20          HG1       PRO  20  16.469  -1.606  -4.505
  132   1HD   PRO  20          HD2       PRO  20  18.088  -0.535  -2.547
  133   2HD   PRO  20          HD1       PRO  20  18.374  -0.130  -4.310
  134    H    THR  21           HN       THR  21  13.522   2.412  -3.709
  135    HA   THR  21           HA       THR  21  12.991   2.146  -0.821
  136    HB   THR  21           HB       THR  21  13.347   4.698  -2.457
  137    HG1  THR  21           HG1      THR  21  14.966   3.514  -0.963
  138   1HG2  THR  21          HG21      THR  21  11.227   4.996  -1.222
  139   2HG2  THR  21          HG22      THR  21  12.505   5.972  -0.448
  140   3HG2  THR  21          HG23      THR  21  12.025   4.428   0.316
  141    H    CYS  22           HN       CYS  22  10.748   2.039  -0.369
  142    HA   CYS  22           HA       CYS  22   9.072   1.977  -2.822
  143   1HB   CYS  22          HB2       CYS  22  10.593  -0.100  -2.410
  144   2HB   CYS  22          HB1       CYS  22   9.511  -0.474  -1.056
  145    H    ARG  23           HN       ARG  23   6.915   1.433  -2.628
  146    HA   ARG  23           HA       ARG  23   5.527   1.356  -0.136
  147   1HB   ARG  23          HB2       ARG  23   4.556   3.601  -0.039
  148   2HB   ARG  23          HB1       ARG  23   6.320   3.756  -0.050
  149   1HG   ARG  23          HG2       ARG  23   6.325   4.369  -2.454
  150   2HG   ARG  23          HG1       ARG  23   4.567   4.054  -2.564
  151   1HD   ARG  23          HD2       ARG  23   4.900   5.947  -0.365
  152   2HD   ARG  23          HD1       ARG  23   5.948   6.511  -1.715
  153    HE   ARG  23           HE       ARG  23   4.078   7.051  -2.935
  154   1HH1  ARG  23          HH11      ARG  23   2.993   4.842  -0.323
  155   2HH1  ARG  23          HH12      ARG  23   1.344   4.868  -0.831
  156   1HH2  ARG  23          HH21      ARG  23   1.931   7.013  -3.598
  157   2HH2  ARG  23          HH22      ARG  23   0.711   6.166  -2.696
  158    H    CYS  24           HN       CYS  24   3.138   2.112  -0.510
  159    HA   CYS  24           HA       CYS  24   2.245   0.412  -2.736
  160   1HB   CYS  24          HB2       CYS  24   1.933  -0.151  -0.191
  161   2HB   CYS  24          HB1       CYS  24   0.683   1.100  -0.183
  162    H    VAL  25           HN       VAL  25   1.528   1.641  -4.487
  163    HA   VAL  25           HA       VAL  25   0.831   4.330  -4.196
  164    HB   VAL  25           HB       VAL  25   0.510   4.391  -6.591
  165   1HG1  VAL  25          HG11      VAL  25   2.720   4.728  -5.458
  166   2HG1  VAL  25          HG12      VAL  25   2.922   3.945  -7.067
  167   3HG1  VAL  25          HG13      VAL  25   3.049   2.954  -5.566
  168   1HG2  VAL  25          HG21      VAL  25   1.156   2.405  -7.972
  169   2HG2  VAL  25          HG22      VAL  25  -0.361   2.096  -7.088
  170   3HG2  VAL  25          HG23      VAL  25   1.202   1.369  -6.519
  171    H    ASP  26           HN       ASP  26  -1.070   1.459  -4.625
  172    HA   ASP  26           HA       ASP  26  -3.458   3.064  -5.191
  173   1HB   ASP  26          HB2       ASP  26  -3.167   1.144  -6.611
  174   2HB   ASP  26          HB1       ASP  26  -3.050   0.044  -5.184
  175    HD2  ASP  26           HD2      ASP  26  -6.549   1.284  -6.546
  176    H    VAL  27           HN       VAL  27  -4.622   3.866  -3.679
  177    HA   VAL  27           HA       VAL  27  -4.473   3.158  -0.979
  178    HB   VAL  27           HB       VAL  27  -6.291   4.709  -0.634
  179   1HG1  VAL  27          HG11      VAL  27  -4.253   5.759  -2.685
  180   2HG1  VAL  27          HG12      VAL  27  -3.903   5.402  -0.956
  181   3HG1  VAL  27          HG13      VAL  27  -5.094   6.690  -1.396
  182   1HG2  VAL  27          HG21      VAL  27  -7.752   4.254  -2.552
  183   2HG2  VAL  27          HG22      VAL  27  -6.484   4.774  -3.732
  184   3HG2  VAL  27          HG23      VAL  27  -7.207   5.963  -2.609
  185    H    ARG  28           HN       ARG  28  -5.979   2.567   0.472
  186    HA   ARG  28           HA       ARG  28  -7.840   0.496  -0.485
  187   1HB   ARG  28          HB2       ARG  28  -6.944   0.817   2.427
  188   2HB   ARG  28          HB1       ARG  28  -7.654  -0.616   1.630
  189   1HG   ARG  28          HG2       ARG  28  -5.375  -1.185   1.916
  190   2HG   ARG  28          HG1       ARG  28  -5.332  -0.519   0.242
  191   1HD   ARG  28          HD2       ARG  28  -5.064   1.716   2.073
  192   2HD   ARG  28          HD1       ARG  28  -4.051   0.431   2.789
  193    HE   ARG  28           HE       ARG  28  -3.660   0.871  -0.139
  194   1HH1  ARG  28          HH11      ARG  28  -2.668   1.712   3.146
  195   2HH1  ARG  28          HH12      ARG  28  -1.259   2.624   2.677
  196   1HH2  ARG  28          HH21      ARG  28  -1.795   2.056  -0.815
  197   2HH2  ARG  28          HH22      ARG  28  -0.730   2.774   0.340
  198    H    GLU  29           HN       GLU  29  -9.828   0.239   0.629
  199    HA   GLU  29           HA       GLU  29 -10.993   2.195   2.299
  200   1HB   GLU  29          HB2       GLU  29 -11.403  -0.755   1.736
  201   2HB   GLU  29          HB1       GLU  29 -12.411   0.189   2.929
  202   1HG   GLU  29          HG2       GLU  29 -12.786   1.810   0.858
  203   2HG   GLU  29          HG1       GLU  29 -12.194   0.436  -0.142
  204    HE2  GLU  29           HE2      GLU  29 -15.886   0.507   0.955
  205    H    SER  30           HN       SER  30  -9.918  -1.032   3.389
  206    HA   SER  30           HA       SER  30  -9.301  -0.037   5.997
  207   1HB   SER  30          HB2       SER  30  -8.700  -2.857   4.929
  208   2HB   SER  30          HB1       SER  30  -8.645  -2.314   6.645
  209    HG   SER  30           HG       SER  30 -10.587  -3.433   5.980
  210    H    CYS  31           HN       CYS  31  -7.539   1.030   6.560
  211    HA   CYS  31           HA       CYS  31  -5.040   0.314   5.239
  212   1HB   CYS  31          HB2       CYS  31  -5.719   2.709   5.842
  213   2HB   CYS  31          HB1       CYS  31  -5.187   2.325   7.513
  214    H    HIS  32           HN       HIS  32  -5.444  -1.954   6.144
  215    HA   HIS  32           HA       HIS  32  -3.302  -2.035   8.134
  216   1HB   HIS  32          HB2       HIS  32  -5.437  -2.959   9.075
  217   2HB   HIS  32          HB1       HIS  32  -5.203  -4.347   7.926
  218    HD1  HIS  32           HD1      HIS  32  -2.733  -5.423   8.183
  219    HD2  HIS  32           HD2      HIS  32  -3.811  -2.946  11.387
  220    HE1  HIS  32           HE1      HIS  32  -1.010  -5.721   9.954
  221    HE2  HIS  32           HE2      HIS  32  -1.686  -4.216  11.894
  222    H    SER  33           HN       SER  33  -1.974  -1.702   6.670
  223    HA   SER  33           HA       SER  33  -1.633  -3.398   4.258
  224   1HB   SER  33          HB2       SER  33  -3.520  -1.714   3.848
  225   2HB   SER  33          HB1       SER  33  -2.388  -0.399   4.306
  226    HG   SER  33           HG       SER  33  -2.464  -2.039   1.999
  227    H    ALA  34           HN       ALA  34  -0.229  -1.141   6.584
  228    HA   ALA  34           HA       ALA  34   1.511  -0.047   4.513
  229   1HB   ALA  34          HB1       ALA  34  -0.602   1.065   6.471
  230   2HB   ALA  34          HB2       ALA  34  -0.724   1.068   4.683
  231   3HB   ALA  34          HB3       ALA  34   0.446   2.165   5.508
  232    H    CYS  35           HN       CYS  35   2.908   1.634   5.341
  233    HA   CYS  35           HA       CYS  35   4.370   1.131   7.683
  234   1HB   CYS  35          HB2       CYS  35   5.314   3.404   7.083
  235   2HB   CYS  35          HB1       CYS  35   5.249   2.280   5.696
  236    H    ASP  36           HN       ASP  36   4.703   3.065   9.219
  237    HA   ASP  36           HA       ASP  36   2.662   3.567  10.945
  238   1HB   ASP  36          HB2       ASP  36   4.109   5.498  11.737
  239   2HB   ASP  36          HB1       ASP  36   5.007   3.969  11.487
  240    HD2  ASP  36           HD2      ASP  36   6.058   6.437  11.679
  241    H    LYS  37           HN       LYS  37   3.667   5.852   8.417
  242    HA   LYS  37           HA       LYS  37   1.492   7.629   9.058
  243   1HB   LYS  37          HB2       LYS  37   3.908   8.280   8.518
  244   2HB   LYS  37          HB1       LYS  37   3.543   7.889   6.818
  245   1HG   LYS  37          HG2       LYS  37   1.743   9.611   6.791
  246   2HG   LYS  37          HG1       LYS  37   2.062   9.988   8.512
  247   1HD   LYS  37          HD2       LYS  37   4.388  10.717   7.966
  248   2HD   LYS  37          HD1       LYS  37   4.191  10.171   6.267
  249   1HE   LYS  37          HE2       LYS  37   2.320  11.862   5.967
  250   2HE   LYS  37          HE1       LYS  37   2.681  12.496   7.629
  251   1HZ   LYS  37          HZ1       LYS  37   4.563  12.379   5.336
  252   2HZ   LYS  37          HZ2       LYS  37   4.921  12.957   6.891
  253   3HZ   LYS  37          HZ3       LYS  37   3.770  13.756   5.933
  254    H    CYS  38           HN       CYS  38  -0.087   5.803   8.468
  255    HA   CYS  38           HA       CYS  38  -0.892   5.987   5.702
  256   1HB   CYS  38          HB2       CYS  38  -1.080   3.915   7.122
  257   2HB   CYS  38          HB1       CYS  38  -2.389   4.744   8.048
  258    H    VAL  39           HN       VAL  39  -1.706   7.916   5.012
  259    HA   VAL  39           HA       VAL  39  -3.468   9.432   6.777
  260    HB   VAL  39           HB       VAL  39  -3.123  11.225   5.244
  261   1HG1  VAL  39          HG11      VAL  39  -1.351  10.650   6.969
  262   2HG1  VAL  39          HG12      VAL  39  -0.688  11.483   5.513
  263   3HG1  VAL  39          HG13      VAL  39  -0.454   9.717   5.714
  264   1HG2  VAL  39          HG21      VAL  39  -1.751  11.031   3.240
  265   2HG2  VAL  39          HG22      VAL  39  -3.204  10.004   3.095
  266   3HG2  VAL  39          HG23      VAL  39  -1.602   9.237   3.471
  267    H    CYS  40           HN       CYS  40  -5.791   9.751   6.104
  268    HA   CYS  40           HA       CYS  40  -6.527   8.261   3.697
  269   1HB   CYS  40          HB2       CYS  40  -6.365   6.778   5.690
  270   2HB   CYS  40          HB1       CYS  40  -7.684   7.722   6.457
  271    H    ALA  41           HN       ALA  41  -7.529   9.574   2.528
  272    HA   ALA  41           HA       ALA  41  -9.335  11.590   3.510
  273   1HB   ALA  41          HB1       ALA  41  -8.045  11.830   1.359
  274   2HB   ALA  41          HB2       ALA  41  -9.805  12.168   1.273
  275   3HB   ALA  41          HB3       ALA  41  -9.162  10.609   0.639
  276    H    TYR  42           HN       TYR  42 -11.435  11.562   3.772
  277    HA   TYR  42           HA       TYR  42 -12.617   9.023   4.226
  278   1HB   TYR  42          HB2       TYR  42 -14.265  10.358   5.566
  279   2HB   TYR  42          HB1       TYR  42 -12.533  10.661   5.976
  280    HD1  TYR  42           HD1      TYR  42 -15.593  12.131   4.465
  281    HD2  TYR  42           HD2      TYR  42 -11.423  12.822   5.333
  282    HE1  TYR  42           HE1      TYR  42 -15.880  14.521   4.005
  283    HE2  TYR  42           HE2      TYR  42 -11.718  15.190   4.830
  284    HH   TYR  42           HH       TYR  42 -13.304  16.839   4.674
  285    H    SER  43           HN       SER  43 -12.355   9.766   1.595
  286    HA   SER  43           HA       SER  43 -14.710  10.452   0.227
  287   1HB   SER  43          HB2       SER  43 -12.460   8.675  -0.819
  288   2HB   SER  43          HB1       SER  43 -13.613   9.708  -1.790
  289    HG   SER  43           HG       SER  43 -11.795  10.898  -1.631
  290    H    ASN  44           HN       ASN  44 -15.330   8.637  -1.622
  291    HA   ASN  44           HA       ASN  44 -16.034   6.156  -0.262
  292   1HB   ASN  44          HB2       ASN  44 -17.788   7.877   0.080
  293   2HB   ASN  44          HB1       ASN  44 -17.855   8.175  -1.683
  294   1HD2  ASN  44          HD21      ASN  44 -17.889   5.106   0.316
  295   2HD2  ASN  44          HD22      ASN  44 -19.312   4.500  -0.444
  296    HA   PRO  45           HA       PRO  45 -15.162   4.310  -0.604
  297   1HB   PRO  45          HB2       PRO  45 -12.887   3.483  -2.494
  298   2HB   PRO  45          HB1       PRO  45 -13.716   2.467  -1.289
  299   1HG   PRO  45          HG2       PRO  45 -14.471   2.252  -3.890
  300   2HG   PRO  45          HG1       PRO  45 -15.757   2.422  -2.650
  301   1HD   PRO  45          HD2       PRO  45 -14.599   4.640  -4.421
  302   2HD   PRO  45          HD1       PRO  45 -16.330   4.260  -4.056
  303    HA   PRO  46           HA       PRO  46 -12.110   7.132   0.919
  304   1HB   PRO  46          HB2       PRO  46 -11.102   4.724   2.562
  305   2HB   PRO  46          HB1       PRO  46 -11.290   6.444   3.113
  306   1HG   PRO  46          HG2       PRO  46 -13.267   4.710   3.705
  307   2HG   PRO  46          HG1       PRO  46 -13.702   6.310   2.949
  308   1HD   PRO  46          HD2       PRO  46 -13.462   3.572   1.574
  309   2HD   PRO  46          HD1       PRO  46 -14.759   4.903   1.405
  310    H    GLN  47           HN       GLN  47  -9.719   7.548   1.411
  311    HA   GLN  47           HA       GLN  47  -8.104   6.041  -0.546
  312   1HB   GLN  47          HB2       GLN  47  -7.974   9.052  -0.049
  313   2HB   GLN  47          HB1       GLN  47  -7.139   8.140  -1.356
  314   1HG   GLN  47          HG2       GLN  47 -10.230   8.370  -1.197
  315   2HG   GLN  47          HG1       GLN  47  -9.198   9.641  -1.915
  316   1HE2  GLN  47          HE21      GLN  47 -10.035   6.166  -2.185
  317   2HE2  GLN  47          HE22      GLN  47  -9.637   6.068  -3.891
  318    H    CYS  48           HN       CYS  48  -7.563   4.859   1.386
  319    HA   CYS  48           HA       CYS  48  -5.806   6.217   3.291
  320   1HB   CYS  48          HB2       CYS  48  -6.629   3.289   3.036
  321   2HB   CYS  48          HB1       CYS  48  -5.458   3.944   4.235
  322    H    GLN  49           HN       GLN  49  -3.717   6.574   2.998
  323    HA   GLN  49           HA       GLN  49  -2.252   4.739   1.283
  324   1HB   GLN  49          HB2       GLN  49  -3.171   6.954   0.220
  325   2HB   GLN  49          HB1       GLN  49  -1.905   7.772   1.156
  326   1HG   GLN  49          HG2       GLN  49  -0.135   6.374   0.015
  327   2HG   GLN  49          HG1       GLN  49  -1.431   5.441  -0.836
  328   1HE2  GLN  49          HE21      GLN  49  -1.717   6.107  -2.920
  329   2HE2  GLN  49          HE22      GLN  49  -1.430   7.725  -3.501
  330    H    CYS  50           HN       CYS  50  -0.295   4.234   1.809
  331    HA   CYS  50           HA       CYS  50   1.008   5.222   4.222
  332   1HB   CYS  50          HB2       CYS  50   1.077   2.779   3.575
  333   2HB   CYS  50          HB1       CYS  50   1.717   3.213   1.988
  334    H    TYR  51           HN       TYR  51   1.320   7.329   3.842
  335    HA   TYR  51           HA       TYR  51   2.440   8.650   1.683
  336   1HB   TYR  51          HB2       TYR  51   1.165   9.438   3.805
  337   2HB   TYR  51          HB1       TYR  51   2.708   9.404   4.658
  338    HD1  TYR  51           HD1      TYR  51   0.446  11.528   3.225
  339    HD2  TYR  51           HD2      TYR  51   4.704  10.796   3.153
  340    HE1  TYR  51           HE1      TYR  51   0.835  13.829   2.769
  341    HE2  TYR  51           HE2      TYR  51   5.098  13.112   2.697
  342    HH   TYR  51           HH       TYR  51   4.154  15.210   2.356
  343    H    ASP  52           HN       ASP  52   3.981   7.188   4.428
  344    HA   ASP  52           HA       ASP  52   6.623   8.239   3.728
  345   1HB   ASP  52          HB2       ASP  52   5.863   8.273   6.109
  346   2HB   ASP  52          HB1       ASP  52   5.741   6.467   6.094
  347    HD2  ASP  52           HD2      ASP  52   8.903   6.543   7.344
  348    H    THR  53           HN       THR  53   8.123   7.207   2.508
  349    HA   THR  53           HA       THR  53   7.678   4.549   1.605
  350    HB   THR  53           HB       THR  53   9.956   4.733   0.619
  351    HG1  THR  53           HG1      THR  53  10.429   7.141   0.505
  352   1HG2  THR  53          HG21      THR  53   7.932   6.990  -0.010
  353   2HG2  THR  53          HG22      THR  53   7.872   5.292  -0.624
  354   3HG2  THR  53          HG23      THR  53   9.217   6.371  -1.111
  355    H    HIS  54           HN       HIS  54   8.723   2.653   2.082
  356    HA   HIS  54           HA       HIS  54  10.385   2.527   4.416
  357   1HB   HIS  54          HB2       HIS  54   8.246   2.930   5.593
  358   2HB   HIS  54          HB1       HIS  54   7.457   1.587   4.711
  359    HD1  HIS  54           HD1      HIS  54   8.085  -0.817   5.352
  360    HD2  HIS  54           HD2      HIS  54   9.733   2.053   7.937
  361    HE1  HIS  54           HE1      HIS  54   8.743  -2.002   7.413
  362    HE2  HIS  54           HE2      HIS  54   9.776  -0.259   8.968
  363    H    LYS  55           HN       LYS  55   8.002   0.554   2.729
  364    HA   LYS  55           HA       LYS  55   9.413  -1.778   3.443
  365   1HB   LYS  55          HB2       LYS  55   7.185  -2.762   3.181
  366   2HB   LYS  55          HB1       LYS  55   7.091  -1.222   4.005
  367   1HG   LYS  55          HG2       LYS  55   6.388  -0.103   1.740
  368   2HG   LYS  55          HG1       LYS  55   6.210  -1.766   1.144
  369   1HD   LYS  55          HD2       LYS  55   4.714  -2.193   3.257
  370   2HD   LYS  55          HD1       LYS  55   4.730  -0.416   3.472
  371   1HE   LYS  55          HE2       LYS  55   2.695  -1.056   2.222
  372   2HE   LYS  55          HE1       LYS  55   3.806  -0.186   1.085
  373   1HZ   LYS  55          HZ1       LYS  55   3.541  -3.139   1.367
  374   2HZ   LYS  55          HZ2       LYS  55   4.565  -2.333   0.287
  375   3HZ   LYS  55          HZ3       LYS  55   2.877  -2.196   0.119
  376    H    PHE  56           HN       PHE  56   7.616  -2.982   1.088
  377    HA   PHE  56           HA       PHE  56   9.351  -2.705  -1.174
  378   1HB   PHE  56          HB2       PHE  56  10.007  -5.097  -1.278
  379   2HB   PHE  56          HB1       PHE  56  10.641  -4.337   0.207
  380    HD1  PHE  56           HD1      PHE  56   9.273  -4.652   2.429
  381    HD2  PHE  56           HD2      PHE  56   8.722  -7.095  -1.080
  382    HE1  PHE  56           HE1      PHE  56   8.249  -6.401   3.801
  383    HE2  PHE  56           HE2      PHE  56   7.798  -8.876   0.317
  384    HZ   PHE  56           HZ       PHE  56   7.538  -8.539   2.763
  385    H    CYS  57           HN       CYS  57   8.370  -4.732  -2.782
  386    HA   CYS  57           HA       CYS  57   5.518  -4.138  -2.858
  387   1HB   CYS  57          HB2       CYS  57   7.498  -5.410  -4.750
  388   2HB   CYS  57          HB1       CYS  57   5.764  -5.790  -4.936
  389    H    TYR  58           HN       TYR  58   5.000  -5.047  -0.900
  390    HA   TYR  58           HA       TYR  58   4.970  -7.918  -0.544
  391   1HB   TYR  58          HB2       TYR  58   5.141  -6.215   1.307
  392   2HB   TYR  58          HB1       TYR  58   3.444  -5.733   0.949
  393    HD1  TYR  58           HD1      TYR  58   1.746  -6.830   2.144
  394    HD2  TYR  58           HD2      TYR  58   5.524  -8.835   1.697
  395    HE1  TYR  58           HE1      TYR  58   0.988  -8.599   3.628
  396    HE2  TYR  58           HE2      TYR  58   4.765 -10.597   3.192
  397    HH   TYR  58           HH       TYR  58   1.419 -10.607   4.543
  398    H    LYS  59           HN       LYS  59   2.997  -8.961  -0.051
  399    HA   LYS  59           HA       LYS  59   1.365  -9.434  -2.216
  400   1HB   LYS  59          HB2       LYS  59   0.840 -10.120   0.698
  401   2HB   LYS  59          HB1       LYS  59   0.122 -10.930  -0.746
  402   1HG   LYS  59          HG2       LYS  59   3.082 -11.143   0.192
  403   2HG   LYS  59          HG1       LYS  59   1.770 -12.295   0.410
  404   1HD   LYS  59          HD2       LYS  59   2.824 -13.251  -1.344
  405   2HD   LYS  59          HD1       LYS  59   1.561 -12.322  -2.221
  406   1HE   LYS  59          HE2       LYS  59   3.285 -10.583  -2.834
  407   2HE   LYS  59          HE1       LYS  59   4.500 -11.421  -1.785
  408   1HZ   LYS  59          HZ1       LYS  59   4.373 -13.324  -3.191
  409   2HZ   LYS  59          HZ2       LYS  59   4.727 -11.949  -4.122
  410   3HZ   LYS  59          HZ3       LYS  59   3.165 -12.614  -4.153
  411    H    ALA  60           HN       ALA  60  -0.864  -9.329  -2.631
  412    HA   ALA  60           HA       ALA  60  -2.205  -6.981  -1.493
  413   1HB   ALA  60          HB1       ALA  60  -1.744  -7.002  -3.975
  414   2HB   ALA  60          HB2       ALA  60  -3.517  -7.091  -3.660
  415   3HB   ALA  60          HB3       ALA  60  -2.581  -8.581  -4.098
  416    H    CYS  61           HN       CYS  61  -4.472  -7.013  -1.101
  417    HA   CYS  61           HA       CYS  61  -5.864  -9.402  -1.435
  418   1HB   CYS  61          HB2       CYS  61  -6.806  -8.458   1.141
  419   2HB   CYS  61          HB1       CYS  61  -6.290 -10.096   0.672
  420    H    HIS  62           HN       HIS  62  -8.138  -9.019  -1.296
  421    HA   HIS  62           HA       HIS  62  -8.593  -6.658  -2.807
  422   1HB   HIS  62          HB2       HIS  62 -10.419  -8.931  -1.915
  423   2HB   HIS  62          HB1       HIS  62 -11.050  -7.573  -2.876
  424    HD1  HIS  62           HD1      HIS  62 -10.032  -7.131  -5.192
  425    HD2  HIS  62           HD2      HIS  62  -8.581 -10.632  -3.409
  426    HE1  HIS  62           HE1      HIS  62  -8.841  -8.413  -6.986
  427    HE2  HIS  62           HE2      HIS  62  -7.906 -10.499  -5.870
  428    H    ASN  63           HN       ASN  63 -10.360  -5.124  -2.629
  429    HA   ASN  63           HA       ASN  63 -11.934  -4.786  -0.456
  430   1HB   ASN  63          HB2       ASN  63 -11.093  -2.709   0.569
  431   2HB   ASN  63          HB1       ASN  63  -9.978  -4.065   0.862
  432   1HD2  ASN  63          HD21      ASN  63  -7.894  -4.084  -0.539
  433   2HD2  ASN  63          HD22      ASN  63  -7.347  -2.599  -1.196
  434    H    SER  64           HN       SER  64 -10.284  -3.216  -3.131
  435    HA   SER  64           HA       SER  64 -12.666  -1.500  -3.619
  436   1HB   SER  64          HB2       SER  64  -9.702  -1.197  -4.395
  437   2HB   SER  64          HB1       SER  64 -11.016  -0.060  -4.897
  438    HG   SER  64           HG       SER  64 -10.133  -0.586  -2.220
  439    H    GLU  65           HN       GLU  65 -12.855  -4.138  -4.485
  440    HA   GLU  65           HA       GLU  65 -11.957  -4.706  -7.029
  441   1HB   GLU  65          HB2       GLU  65 -13.481  -6.548  -7.065
  442   2HB   GLU  65          HB1       GLU  65 -12.814  -6.397  -5.428
  443   1HG   GLU  65          HG2       GLU  65 -15.630  -5.412  -6.301
  444   2HG   GLU  65          HG1       GLU  65 -15.278  -6.978  -5.502
  445    HE2  GLU  65           HE2      GLU  65 -16.992  -5.272  -4.519
  446    H    ILE  66           HN       ILE  66 -14.344  -2.573  -6.174
  447    HA   ILE  66           HA       ILE  66 -14.954  -1.718  -8.826
  448    HB   ILE  66           HB       ILE  66 -17.398  -1.597  -8.445
  449   1HG1  ILE  66          HG12      ILE  66 -17.033  -3.625  -6.156
  450   2HG1  ILE  66          HG11      ILE  66 -17.337  -1.879  -5.891
  451   1HG2  ILE  66          HG21      ILE  66 -17.960  -3.930  -9.074
  452   2HG2  ILE  66          HG22      ILE  66 -16.383  -4.514  -8.442
  453   3HG2  ILE  66          HG23      ILE  66 -16.441  -3.420  -9.874
  454   1HD1  ILE  66          HD11      ILE  66 -19.499  -2.059  -7.191
  455   2HD1  ILE  66          HD12      ILE  66 -19.456  -3.071  -5.702
  456   3HD1  ILE  66          HD13      ILE  66 -19.241  -3.845  -7.310
  457    H    GLU  67           HN       GLU  67 -15.897   0.442  -8.665
  458    HA   GLU  67           HA       GLU  67 -15.672   1.622  -5.947
  459   1HB   GLU  67          HB2       GLU  67 -14.504   3.493  -6.723
  460   2HB   GLU  67          HB1       GLU  67 -13.697   2.066  -7.433
  461   1HG   GLU  67          HG2       GLU  67 -15.083   2.580  -9.626
  462   2HG   GLU  67          HG1       GLU  67 -15.534   4.136  -8.838
  463    HE2  GLU  67           HE2      GLU  67 -14.507   4.659 -10.815
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1  -8.111 -15.265   9.515
    2   2H    GLY   1          2H        GLY   1  -9.718 -14.786   9.774
    3   3H    GLY   1          3H        GLY   1  -8.955 -15.831  10.875
    4   1HA   GLY   1          1HA       GLY   1  -9.100 -13.642  11.750
    5   2HA   GLY   1          2HA       GLY   1  -7.386 -14.133  11.442
    6    H    ASP   2           H        ASP   2  -8.402 -11.400  11.753
    7    HA   ASP   2           HA       ASP   2  -7.378 -10.264   9.266
    8   1HB   ASP   2          1HB       ASP   2  -9.843 -10.776   8.798
    9   2HB   ASP   2          2HB       ASP   2 -10.284  -9.826  10.252
   10    HD2  ASP   2           HD2      ASP   2 -10.809  -7.293   8.087
   11    H    ASP   3           H        ASP   3  -5.918  -9.985  11.271
   12    HA   ASP   3           HA       ASP   3  -6.326  -7.308  12.323
   13   1HB   ASP   3          1HB       ASP   3  -6.089  -8.032  14.687
   14   2HB   ASP   3          2HB       ASP   3  -7.578  -8.695  13.916
   15    HD2  ASP   3           HD2      ASP   3  -7.178  -9.848  15.863
   16    H    VAL   4           H        VAL   4  -4.548  -7.720  10.526
   17    HA   VAL   4           HA       VAL   4  -2.106  -8.768  11.775
   18    HB   VAL   4           HB       VAL   4  -3.412 -10.183  10.202
   19   1HG1  VAL   4          1HG1      VAL   4  -2.956  -9.886   7.765
   20   2HG1  VAL   4          2HG1      VAL   4  -2.229  -8.274   8.072
   21   3HG1  VAL   4          3HG1      VAL   4  -3.964  -8.566   8.427
   22   1HG2  VAL   4          1HG2      VAL   4  -1.134 -10.720  10.969
   23   2HG2  VAL   4          2HG2      VAL   4  -0.405  -9.714   9.665
   24   3HG2  VAL   4          3HG2      VAL   4  -1.352 -11.170   9.245
   25    H    LYS   5           H        LYS   5  -0.202  -7.892  11.501
   26    HA   LYS   5           HA       LYS   5   0.181  -5.284  10.430
   27   1HB   LYS   5          1HB       LYS   5   1.849  -7.407  11.810
   28   2HB   LYS   5          2HB       LYS   5   2.741  -6.147  10.937
   29   1HG   LYS   5          1HG       LYS   5   1.794  -4.359  12.198
   30   2HG   LYS   5          2HG       LYS   5   0.600  -5.433  12.993
   31   1HD   LYS   5          1HD       LYS   5   2.397  -6.650  14.184
   32   2HD   LYS   5          2HD       LYS   5   3.665  -5.727  13.293
   33   1HE   LYS   5          1HE       LYS   5   2.861  -3.595  14.342
   34   2HE   LYS   5          2HE       LYS   5   1.619  -4.517  15.283
   35   1HZ   LYS   5          1HZ       LYS   5   3.601  -4.072  16.555
   36   2HZ   LYS   5          2HZ       LYS   5   4.568  -4.895  15.427
   37   3HZ   LYS   5          3HZ       LYS   5   3.403  -5.745  16.321
   38    H    SER   6           H        SER   6  -0.101  -8.067   8.794
   39    HA   SER   6           HA       SER   6   1.878  -7.948   6.792
   40   1HB   SER   6          1HB       SER   6  -1.033  -8.794   6.353
   41   2HB   SER   6          2HB       SER   6   0.366  -9.151   5.274
   42    HG   SER   6           HG       SER   6  -0.351 -10.787   6.860
   43    H    ALA   7           H        ALA   7   2.348  -6.519   5.212
   44    HA   ALA   7           HA       ALA   7   0.599  -4.371   4.572
   45   1HB   ALA   7          1HB       ALA   7   3.125  -5.417   3.235
   46   2HB   ALA   7          2HB       ALA   7   3.041  -4.109   4.452
   47   3HB   ALA   7          3HB       ALA   7   2.314  -3.862   2.814
   48    H    CYS   8           H        CYS   8  -1.064  -4.293   3.245
   49    HA   CYS   8           HA       CYS   8  -1.375  -6.526   1.324
   50   1HB   CYS   8          1HB       CYS   8  -3.627  -6.512   1.584
   51   2HB   CYS   8          2HB       CYS   8  -3.019  -6.235   3.229
   52    H    CYS   9           H        CYS   9  -0.797  -6.159  -0.712
   53    HA   CYS   9           HA       CYS   9  -1.166  -3.451  -1.853
   54   1HB   CYS   9          1HB       CYS   9   1.237  -5.339  -1.627
   55   2HB   CYS   9          2HB       CYS   9   1.305  -3.901  -2.713
   56    H    ASP  10           H        ASP  10   0.018  -3.745  -4.251
   57    HA   ASP  10           HA       ASP  10   0.577  -5.871  -5.392
   58   1HB   ASP  10          1HB       ASP  10  -0.909  -6.762  -7.038
   59   2HB   ASP  10          2HB       ASP  10  -1.369  -7.159  -5.385
   60    HD2  ASP  10           HD2      ASP  10  -3.003  -5.926  -4.551
   61    H    THR  11           H        THR  11  -1.415  -3.038  -6.264
   62    HA   THR  11           HA       THR  11   0.670  -2.167  -8.078
   63    HB   THR  11           HB       THR  11  -1.472  -0.504  -6.704
   64    HG1  THR  11           HG1      THR  11  -2.422  -0.637  -8.780
   65   1HG2  THR  11          1HG2      THR  11   0.216   0.056  -9.255
   66   2HG2  THR  11          2HG2      THR  11   0.462   0.881  -7.675
   67   3HG2  THR  11          3HG2      THR  11  -1.061   1.124  -8.571
   68    H    CYS  12           H        CYS  12   2.439  -1.017  -7.693
   69    HA   CYS  12           HA       CYS  12   3.193  -0.026  -5.044
   70   1HB   CYS  12          1HB       CYS  12   4.269  -2.376  -6.695
   71   2HB   CYS  12          2HB       CYS  12   5.288  -1.585  -5.406
   72    H    LEU  13           H        LEU  13   5.121   1.218  -5.120
   73    HA   LEU  13           HA       LEU  13   6.173   1.961  -7.755
   74   1HB   LEU  13          1HB       LEU  13   4.001   3.078  -7.456
   75   2HB   LEU  13          2HB       LEU  13   4.505   3.789  -5.911
   76    HG   LEU  13           HG       LEU  13   6.092   4.323  -8.503
   77   1HD1  LEU  13          1HD1      LEU  13   4.528   6.174  -9.091
   78   2HD1  LEU  13          2HD1      LEU  13   3.436   5.699  -7.738
   79   3HD1  LEU  13          3HD1      LEU  13   3.693   4.575  -9.124
   80   1HD2  LEU  13          1HD2      LEU  13   5.345   6.174  -6.135
   81   2HD2  LEU  13          2HD2      LEU  13   6.421   6.588  -7.514
   82   3HD2  LEU  13          3HD2      LEU  13   6.934   5.345  -6.320
   83    H    CYS  14           H        CYS  14   8.156   3.021  -7.597
   84    HA   CYS  14           HA       CYS  14   9.297   3.022  -4.916
   85   1HB   CYS  14          1HB       CYS  14   9.228   0.728  -6.279
   86   2HB   CYS  14          2HB       CYS  14  10.525   1.473  -7.244
   87    H    THR  15           H        THR  15  11.262   3.730  -4.474
   88    HA   THR  15           HA       THR  15  12.490   5.624  -6.339
   89    HB   THR  15           HB       THR  15  14.259   5.915  -4.729
   90    HG1  THR  15           HG1      THR  15  12.666   4.378  -2.942
   91   1HG2  THR  15          1HG2      THR  15  12.133   7.262  -4.646
   92   2HG2  THR  15          2HG2      THR  15  12.892   7.093  -3.024
   93   3HG2  THR  15          3HG2      THR  15  11.430   6.124  -3.452
   94    H    ARG  16           H        ARG  16  13.816   4.917  -7.945
   95    HA   ARG  16           HA       ARG  16  15.377   2.498  -7.561
   96   1HB   ARG  16          1HB       ARG  16  15.334   4.582  -9.794
   97   2HB   ARG  16          2HB       ARG  16  16.535   3.242  -9.698
   98   1HG   ARG  16          1HG       ARG  16  14.679   1.585  -9.614
   99   2HG   ARG  16          2HG       ARG  16  13.512   2.902  -9.976
  100   1HD   ARG  16          1HD       ARG  16  14.784   3.338 -12.160
  101   2HD   ARG  16          2HD       ARG  16  15.931   2.007 -11.706
  102    HE   ARG  16           HE       ARG  16  13.017   1.328 -11.768
  103   1HH1  ARG  16          1HH1      ARG  16  16.168   1.208 -13.454
  104   2HH1  ARG  16          2HH1      ARG  16  15.651   0.002 -14.589
  105   1HH2  ARG  16          1HH2      ARG  16  12.351  -0.245 -13.321
  106   2HH2  ARG  16          2HH2      ARG  16  13.465  -0.830 -14.512
  107    H    SER  17           H        SER  17  17.328   2.510  -6.568
  108    HA   SER  17           HA       SER  17  19.008   4.763  -6.225
  109   1HB   SER  17          1HB       SER  17  16.904   5.531  -4.927
  110   2HB   SER  17          2HB       SER  17  17.158   4.152  -3.826
  111    HG   SER  17           HG       SER  17  18.046   6.167  -3.082
  112    H    GLN  18           H        GLN  18  19.598   4.101  -3.487
  113    HA   GLN  18           HA       GLN  18  20.760   1.405  -3.511
  114   1HB   GLN  18          1HB       GLN  18  22.240   4.092  -3.555
  115   2HB   GLN  18          2HB       GLN  18  23.019   2.564  -3.014
  116   1HG   GLN  18          1HG       GLN  18  22.671   1.564  -5.319
  117   2HG   GLN  18          2HG       GLN  18  21.957   3.118  -5.870
  118   1HE2  GLN  18          1HE2      GLN  18  24.951   1.647  -4.510
  119   2HE2  GLN  18          2HE2      GLN  18  26.013   2.911  -5.106
  120    HA   PRO  19           HA       PRO  19  19.654   0.131  -2.246
  121   1HB   PRO  19          1HB       PRO  19  17.764  -0.515  -0.310
  122   2HB   PRO  19          2HB       PRO  19  19.555  -0.796  -0.057
  123   1HG   PRO  19          1HG       PRO  19  17.907   1.628   0.876
  124   2HG   PRO  19          2HG       PRO  19  18.983   0.563   1.868
  125   1HD   PRO  19          1HD       PRO  19  19.893   2.932   0.774
  126   2HD   PRO  19          2HD       PRO  19  20.972   1.471   0.831
  127    HA   PRO  20           HA       PRO  20  15.910   2.240  -3.793
  128   1HB   PRO  20          1HB       PRO  20  14.549   0.201  -5.003
  129   2HB   PRO  20          2HB       PRO  20  16.128   0.757  -5.664
  130   1HG   PRO  20          1HG       PRO  20  15.657  -1.587  -3.739
  131   2HG   PRO  20          2HG       PRO  20  16.522  -1.612  -5.335
  132   1HD   PRO  20          1HD       PRO  20  17.838  -1.307  -2.897
  133   2HD   PRO  20          2HD       PRO  20  18.410  -0.441  -4.409
  134    H    THR  21           H        THR  21  13.660   2.314  -3.294
  135    HA   THR  21           HA       THR  21  12.842   0.925  -0.801
  136    HB   THR  21           HB       THR  21  14.098   3.673  -1.036
  137    HG1  THR  21           HG1      THR  21  15.047   1.585  -0.204
  138   1HG2  THR  21          1HG2      THR  21  13.184   4.061   1.376
  139   2HG2  THR  21          2HG2      THR  21  12.001   2.745   1.007
  140   3HG2  THR  21          3HG2      THR  21  12.036   4.271   0.027
  141    H    CYS  22           H        CYS  22  10.809   0.483  -1.138
  142    HA   CYS  22           HA       CYS  22   9.373   2.102  -3.080
  143   1HB   CYS  22          1HB       CYS  22   8.707  -0.760  -2.332
  144   2HB   CYS  22          2HB       CYS  22   8.133   0.146  -3.743
  145    H    ARG  23           H        ARG  23   6.893   1.470  -2.926
  146    HA   ARG  23           HA       ARG  23   5.751   1.090  -0.443
  147   1HB   ARG  23          1HB       ARG  23   4.987   3.108   0.324
  148   2HB   ARG  23          2HB       ARG  23   6.546   3.628  -0.330
  149   1HG   ARG  23          1HG       ARG  23   3.796   4.042  -1.572
  150   2HG   ARG  23          2HG       ARG  23   4.880   5.241  -0.784
  151   1HD   ARG  23          1HD       ARG  23   6.546   4.475  -2.798
  152   2HD   ARG  23          2HD       ARG  23   4.981   4.007  -3.564
  153    HE   ARG  23           HE       ARG  23   5.995   6.415  -3.863
  154   1HH1  ARG  23          1HH1      ARG  23   3.195   5.939  -1.625
  155   2HH1  ARG  23          2HH1      ARG  23   2.411   7.359  -2.209
  156   1HH2  ARG  23          1HH2      ARG  23   4.986   8.178  -4.509
  157   2HH2  ARG  23          2HH2      ARG  23   3.447   8.682  -3.869
  158    H    CYS  24           H        CYS  24   3.398   1.650  -0.676
  159    HA   CYS  24           HA       CYS  24   2.492   0.183  -3.102
  160   1HB   CYS  24          1HB       CYS  24   2.965  -1.267  -1.186
  161   2HB   CYS  24          2HB       CYS  24   2.180  -0.147  -0.051
  162    H    VAL  25           H        VAL  25   0.432   0.733  -3.842
  163    HA   VAL  25           HA       VAL  25  -0.706   3.283  -2.986
  164    HB   VAL  25           HB       VAL  25   0.250   4.397  -5.007
  165   1HG1  VAL  25          1HG1      VAL  25   2.551   4.737  -4.472
  166   2HG1  VAL  25          2HG1      VAL  25   2.691   3.184  -3.615
  167   3HG1  VAL  25          3HG1      VAL  25   1.681   4.514  -2.899
  168   1HG2  VAL  25          1HG2      VAL  25   1.595   1.638  -5.423
  169   2HG2  VAL  25          2HG2      VAL  25   2.173   3.155  -6.222
  170   3HG2  VAL  25          3HG2      VAL  25   0.536   2.546  -6.577
  171    H    ASP  26           H        ASP  26  -1.766   0.548  -4.016
  172    HA   ASP  26           HA       ASP  26  -3.765   2.121  -5.486
  173   1HB   ASP  26          1HB       ASP  26  -3.591  -0.130  -6.523
  174   2HB   ASP  26          2HB       ASP  26  -3.869  -0.877  -4.907
  175    HD2  ASP  26           HD2      ASP  26  -6.945   1.216  -6.501
  176    H    VAL  27           H        VAL  27  -5.611   2.551  -4.438
  177    HA   VAL  27           HA       VAL  27  -5.375   2.899  -1.593
  178    HB   VAL  27           HB       VAL  27  -6.008   4.490  -3.498
  179   1HG1  VAL  27          1HG1      VAL  27  -8.800   3.248  -3.048
  180   2HG1  VAL  27          2HG1      VAL  27  -7.775   2.922  -4.495
  181   3HG1  VAL  27          3HG1      VAL  27  -8.344   4.589  -4.157
  182   1HG2  VAL  27          1HG2      VAL  27  -7.407   5.797  -1.988
  183   2HG2  VAL  27          2HG2      VAL  27  -6.126   4.980  -1.020
  184   3HG2  VAL  27          3HG2      VAL  27  -7.818   4.338  -1.011
  185    H    ARG  28           H        ARG  28  -6.906   2.301   0.004
  186    HA   ARG  28           HA       ARG  28  -8.978   0.400  -0.848
  187   1HB   ARG  28          1HB       ARG  28  -7.246   0.260   1.695
  188   2HB   ARG  28          2HB       ARG  28  -8.719  -0.734   1.383
  189   1HG   ARG  28          1HG       ARG  28  -7.035  -2.236   0.995
  190   2HG   ARG  28          2HG       ARG  28  -7.423  -1.681  -0.667
  191   1HD   ARG  28          1HD       ARG  28  -5.385  -0.060  -0.476
  192   2HD   ARG  28          2HD       ARG  28  -5.090  -0.732   1.143
  193    HE   ARG  28           HE       ARG  28  -4.170  -2.647   0.172
  194   1HH1  ARG  28          1HH1      ARG  28  -6.000  -0.918  -2.421
  195   2HH1  ARG  28          2HH1      ARG  28  -5.420  -1.973  -3.659
  196   1HH2  ARG  28          1HH2      ARG  28  -3.406  -3.966  -1.553
  197   2HH2  ARG  28          2HH2      ARG  28  -3.963  -3.705  -3.175
  198    H    GLU  29           H        GLU  29 -10.703   0.342   0.802
  199    HA   GLU  29           HA       GLU  29 -11.321   2.678   2.268
  200   1HB   GLU  29          1HB       GLU  29 -12.560   0.492   3.584
  201   2HB   GLU  29          2HB       GLU  29 -13.251   1.705   2.482
  202   1HG   GLU  29          1HG       GLU  29 -14.005  -0.372   1.718
  203   2HG   GLU  29          2HG       GLU  29 -12.793   0.135   0.508
  204    HE2  GLU  29           HE2      GLU  29 -13.912  -2.372   1.446
  205    H    SER  30           H        SER  30 -10.053  -0.451   3.151
  206    HA   SER  30           HA       SER  30  -9.370  -0.043   5.753
  207   1HB   SER  30          1HB       SER  30  -7.962  -1.903   3.756
  208   2HB   SER  30          2HB       SER  30  -7.706  -1.953   5.536
  209    HG   SER  30           HG       SER  30  -9.679  -2.676   5.864
  210    H    CYS  31           H        CYS  31  -7.828   0.579   7.006
  211    HA   CYS  31           HA       CYS  31  -5.513   1.966   5.848
  212   1HB   CYS  31          1HB       CYS  31  -6.928   3.081   7.566
  213   2HB   CYS  31          2HB       CYS  31  -6.407   1.830   8.762
  214    H    HIS  32           H        HIS  32  -3.817   1.246   8.404
  215    HA   HIS  32           HA       HIS  32  -3.160  -1.438   8.177
  216   1HB   HIS  32          1HB       HIS  32  -0.975  -1.015   6.614
  217   2HB   HIS  32          2HB       HIS  32  -2.591  -1.478   5.954
  218    HD1  HIS  32           HD1      HIS  32  -1.375   1.962   6.930
  219    HD2  HIS  32           HD2      HIS  32  -2.807  -0.136   3.600
  220    HE1  HIS  32           HE1      HIS  32  -1.739   3.648   5.123
  221    HE2  HIS  32           HE2      HIS  32  -2.594   2.358   3.088
  222    H    SER  33           H        SER  33  -2.297  -1.637  10.127
  223    HA   SER  33           HA       SER  33  -0.320   0.000  11.318
  224   1HB   SER  33          1HB       SER  33  -1.023  -2.991  11.633
  225   2HB   SER  33          2HB       SER  33   0.319  -2.256  12.584
  226    HG   SER  33           HG       SER  33  -1.477  -2.239  13.775
  227    H    ALA  34           H        ALA  34  -0.080  -2.121   8.649
  228    HA   ALA  34           HA       ALA  34   2.530  -3.080   8.934
  229   1HB   ALA  34          1HB       ALA  34   0.807  -2.574   6.404
  230   2HB   ALA  34          2HB       ALA  34   0.671  -4.025   7.452
  231   3HB   ALA  34          3HB       ALA  34   2.189  -3.730   6.549
  232    H    CYS  35           H        CYS  35   1.628   0.092   8.501
  233    HA   CYS  35           HA       CYS  35   4.149   0.778   7.174
  234   1HB   CYS  35          1HB       CYS  35   2.059   0.319   5.613
  235   2HB   CYS  35          2HB       CYS  35   1.438   1.889   6.253
  236    H    ASP  36           H        ASP  36   4.195   3.362   6.951
  237    HA   ASP  36           HA       ASP  36   3.553   4.429   9.597
  238   1HB   ASP  36          1HB       ASP  36   5.085   5.940   7.452
  239   2HB   ASP  36          2HB       ASP  36   5.248   6.043   9.267
  240    HD2  ASP  36           HD2      ASP  36   6.922   2.927   9.259
  241    H    LYS  37           H        LYS  37   3.561   7.153   7.878
  242    HA   LYS  37           HA       LYS  37   1.248   8.086   8.091
  243   1HB   LYS  37          1HB       LYS  37   3.336   9.078   7.035
  244   2HB   LYS  37          2HB       LYS  37   2.882   8.339   5.506
  245   1HG   LYS  37          1HG       LYS  37   2.386  10.746   5.599
  246   2HG   LYS  37          2HG       LYS  37   0.906   9.793   5.349
  247   1HD   LYS  37          1HD       LYS  37   0.226  10.097   7.702
  248   2HD   LYS  37          2HD       LYS  37   1.817  10.845   8.097
  249   1HE   LYS  37          1HE       LYS  37   1.288  12.800   6.617
  250   2HE   LYS  37          2HE       LYS  37  -0.304  12.062   6.194
  251   1HZ   LYS  37          1HZ       LYS  37  -0.922  12.141   8.486
  252   2HZ   LYS  37          2HZ       LYS  37  -0.448  13.685   7.960
  253   3HZ   LYS  37          3HZ       LYS  37   0.594  12.767   8.938
  254    H    CYS  38           H        CYS  38  -0.515   6.546   7.985
  255    HA   CYS  38           HA       CYS  38  -1.608   5.933   5.388
  256   1HB   CYS  38          1HB       CYS  38  -1.719   4.422   7.422
  257   2HB   CYS  38          2HB       CYS  38  -2.633   5.690   8.277
  258    H    VAL  39           H        VAL  39  -2.403   7.623   4.196
  259    HA   VAL  39           HA       VAL  39  -3.787   9.776   5.595
  260    HB   VAL  39           HB       VAL  39  -2.852   9.392   2.726
  261   1HG1  VAL  39          1HG1      VAL  39  -4.639  11.231   3.297
  262   2HG1  VAL  39          2HG1      VAL  39  -3.047  11.912   2.754
  263   3HG1  VAL  39          3HG1      VAL  39  -3.462  11.864   4.508
  264   1HG2  VAL  39          1HG2      VAL  39  -1.499  10.584   5.212
  265   2HG2  VAL  39          2HG2      VAL  39  -1.008  11.022   3.532
  266   3HG2  VAL  39          3HG2      VAL  39  -0.838   9.311   4.095
  267    H    CYS  40           H        CYS  40  -6.074   9.678   5.541
  268    HA   CYS  40           HA       CYS  40  -7.276   8.111   3.420
  269   1HB   CYS  40          1HB       CYS  40  -6.476   6.671   5.320
  270   2HB   CYS  40          2HB       CYS  40  -7.665   7.478   6.383
  271    H    ALA  41           H        ALA  41  -7.921  10.206   2.900
  272    HA   ALA  41           HA       ALA  41  -9.734  11.650   4.592
  273   1HB   ALA  41          1HB       ALA  41  -9.312  11.962   1.588
  274   2HB   ALA  41          2HB       ALA  41  -8.418  12.841   2.890
  275   3HB   ALA  41          3HB       ALA  41 -10.183  13.120   2.679
  276    H    TYR  42           H        TYR  42 -11.908  12.053   4.405
  277    HA   TYR  42           HA       TYR  42 -13.249   9.605   4.289
  278   1HB   TYR  42          1HB       TYR  42 -15.071  11.091   5.477
  279   2HB   TYR  42          2HB       TYR  42 -13.471  10.743   6.232
  280    HD1  TYR  42           HD1      TYR  42 -12.079  12.530   6.917
  281    HD2  TYR  42           HD2      TYR  42 -15.110  13.324   3.964
  282    HE1  TYR  42           HE1      TYR  42 -11.433  14.896   6.888
  283    HE2  TYR  42           HE2      TYR  42 -14.431  15.689   3.922
  284    HH   TYR  42           HH       TYR  42 -12.802  17.178   4.521
  285    H    SER  43           H        SER  43 -12.781  10.294   1.801
  286    HA   SER  43           HA       SER  43 -15.020  10.995   0.221
  287   1HB   SER  43          1HB       SER  43 -12.751   9.018  -0.382
  288   2HB   SER  43          2HB       SER  43 -13.800   9.863  -1.610
  289    HG   SER  43           HG       SER  43 -11.997  10.970  -1.550
  290    H    ASN  44           H        ASN  44 -15.188   8.683  -1.491
  291    HA   ASN  44           HA       ASN  44 -16.456   6.628   0.111
  292   1HB   ASN  44          1HB       ASN  44 -18.028   8.458  -0.579
  293   2HB   ASN  44          2HB       ASN  44 -17.557   8.219  -2.267
  294   1HD2  ASN  44          1HD2      ASN  44 -18.814   6.264   0.561
  295   2HD2  ASN  44          2HD2      ASN  44 -19.737   5.191  -0.439
  296    HA   PRO  45           HA       PRO  45 -15.597   4.920   0.596
  297   1HB   PRO  45          1HB       PRO  45 -13.510   3.096   0.625
  298   2HB   PRO  45          2HB       PRO  45 -15.115   2.672   0.042
  299   1HG   PRO  45          1HG       PRO  45 -12.707   3.551  -1.637
  300   2HG   PRO  45          2HG       PRO  45 -13.765   2.126  -1.896
  301   1HD   PRO  45          1HD       PRO  45 -14.146   4.518  -3.250
  302   2HD   PRO  45          2HD       PRO  45 -15.564   3.504  -2.722
  303    HA   PRO  46           HA       PRO  46 -12.439   7.742   1.768
  304   1HB   PRO  46          1HB       PRO  46 -11.432   6.920   4.193
  305   2HB   PRO  46          2HB       PRO  46 -13.156   7.441   4.020
  306   1HG   PRO  46          1HG       PRO  46 -12.122   4.563   3.888
  307   2HG   PRO  46          2HG       PRO  46 -13.413   5.261   4.969
  308   1HD   PRO  46          1HD       PRO  46 -14.019   4.019   2.587
  309   2HD   PRO  46          2HD       PRO  46 -14.918   5.582   3.106
  310    H    GLN  47           H        GLN  47 -10.106   8.111   1.693
  311    HA   GLN  47           HA       GLN  47  -9.205   5.895  -0.038
  312   1HB   GLN  47          1HB       GLN  47  -8.732   8.902  -0.171
  313   2HB   GLN  47          2HB       GLN  47  -7.910   7.738  -1.244
  314   1HG   GLN  47          1HG       GLN  47 -10.971   7.964  -1.034
  315   2HG   GLN  47          2HG       GLN  47  -9.967   8.836  -2.252
  316   1HE2  GLN  47          1HE2      GLN  47 -11.333   5.769  -1.308
  317   2HE2  GLN  47          2HE2      GLN  47 -10.776   4.829  -2.672
  318    H    CYS  48           H        CYS  48  -8.301   4.613   1.549
  319    HA   CYS  48           HA       CYS  48  -6.148   5.756   3.133
  320   1HB   CYS  48          1HB       CYS  48  -7.380   2.975   3.068
  321   2HB   CYS  48          2HB       CYS  48  -5.886   3.351   3.983
  322    H    GLN  49           H        GLN  49  -4.229   6.043   2.490
  323    HA   GLN  49           HA       GLN  49  -2.843   3.872   1.162
  324   1HB   GLN  49          1HB       GLN  49  -3.924   6.176  -0.099
  325   2HB   GLN  49          2HB       GLN  49  -2.185   6.547   0.019
  326   1HG   GLN  49          1HG       GLN  49  -1.595   4.391  -1.124
  327   2HG   GLN  49          2HG       GLN  49  -3.338   3.924  -1.203
  328   1HE2  GLN  49          1HE2      GLN  49  -4.704   6.010  -2.166
  329   2HE2  GLN  49          2HE2      GLN  49  -4.065   6.541  -3.690
  330    H    CYS  50           H        CYS  50  -0.683   3.661   1.625
  331    HA   CYS  50           HA       CYS  50   0.296   5.482   3.718
  332   1HB   CYS  50          1HB       CYS  50   0.371   3.054   4.194
  333   2HB   CYS  50          2HB       CYS  50   1.405   2.814   2.790
  334    H    TYR  51           H        TYR  51   1.101   7.198   3.018
  335    HA   TYR  51           HA       TYR  51   2.344   7.788   0.586
  336   1HB   TYR  51          1HB       TYR  51   2.056   9.142   3.306
  337   2HB   TYR  51          2HB       TYR  51   3.200   9.820   2.126
  338    HD1  TYR  51           HD1      TYR  51  -0.377   8.343   1.505
  339    HD2  TYR  51           HD2      TYR  51   2.194  11.867   1.432
  340    HE1  TYR  51           HE1      TYR  51  -2.079   9.589   0.457
  341    HE2  TYR  51           HE2      TYR  51   0.434  13.086   0.422
  342    HH   TYR  51           HH       TYR  51  -1.615  12.858  -0.769
  343    H    ASP  52           H        ASP  52   3.699   6.378   3.375
  344    HA   ASP  52           HA       ASP  52   6.302   7.596   3.013
  345   1HB   ASP  52          1HB       ASP  52   5.086   7.108   5.261
  346   2HB   ASP  52          2HB       ASP  52   5.647   5.409   5.077
  347    HD2  ASP  52           HD2      ASP  52   7.884   7.913   6.854
  348    H    THR  53           H        THR  53   8.161   6.826   2.211
  349    HA   THR  53           HA       THR  53   8.139   4.197   0.947
  350    HB   THR  53           HB       THR  53  10.216   4.922  -0.215
  351    HG1  THR  53           HG1      THR  53  10.643   6.539   1.462
  352   1HG2  THR  53          1HG2      THR  53   8.047   5.096  -1.294
  353   2HG2  THR  53          2HG2      THR  53   9.028   6.545  -1.703
  354   3HG2  THR  53          3HG2      THR  53   7.698   6.670  -0.489
  355    H    HIS  54           H        HIS  54   8.890   2.535   1.973
  356    HA   HIS  54           HA       HIS  54  11.508   2.499   3.114
  357   1HB   HIS  54          1HB       HIS  54  10.852   1.317   5.235
  358   2HB   HIS  54          2HB       HIS  54  10.308   3.038   5.182
  359    HD1  HIS  54           HD1      HIS  54   7.914   3.530   4.690
  360    HD2  HIS  54           HD2      HIS  54   8.635  -0.471   5.668
  361    HE1  HIS  54           HE1      HIS  54   5.679   2.492   5.147
  362    HE2  HIS  54           HE2      HIS  54   6.133   0.056   5.778
  363    H    LYS  55           H        LYS  55   8.499   0.506   2.780
  364    HA   LYS  55           HA       LYS  55   9.904  -1.867   2.680
  365   1HB   LYS  55          1HB       LYS  55   7.732  -2.873   2.648
  366   2HB   LYS  55          2HB       LYS  55   7.567  -1.381   3.544
  367   1HG   LYS  55          1HG       LYS  55   6.429  -0.251   1.658
  368   2HG   LYS  55          2HG       LYS  55   6.860  -1.579   0.558
  369   1HD   LYS  55          1HD       LYS  55   4.617  -1.899   0.950
  370   2HD   LYS  55          2HD       LYS  55   5.388  -3.125   2.002
  371   1HE   LYS  55          1HE       LYS  55   4.355  -0.346   2.963
  372   2HE   LYS  55          2HE       LYS  55   3.381  -1.867   3.008
  373   1HZ   LYS  55          1HZ       LYS  55   4.429  -1.429   5.112
  374   2HZ   LYS  55          2HZ       LYS  55   5.968  -1.422   4.394
  375   3HZ   LYS  55          3HZ       LYS  55   5.055  -2.847   4.424
  376    H    PHE  56           H        PHE  56   8.792  -3.573   0.990
  377    HA   PHE  56           HA       PHE  56   9.513  -2.846  -1.755
  378   1HB   PHE  56          1HB       PHE  56   9.969  -5.422  -1.911
  379   2HB   PHE  56          2HB       PHE  56  11.136  -4.456  -0.960
  380    HD1  PHE  56           HD1      PHE  56  11.319  -4.699   1.457
  381    HD2  PHE  56           HD2      PHE  56   8.191  -6.736  -0.675
  382    HE1  PHE  56           HE1      PHE  56  10.763  -5.961   3.492
  383    HE2  PHE  56           HE2      PHE  56   7.592  -7.953   1.377
  384    HZ   PHE  56           HZ       PHE  56   8.891  -7.602   3.468
  385    H    CYS  57           H        CYS  57   8.177  -4.838  -3.213
  386    HA   CYS  57           HA       CYS  57   5.434  -4.089  -2.612
  387   1HB   CYS  57          1HB       CYS  57   6.458  -4.026  -4.932
  388   2HB   CYS  57          2HB       CYS  57   6.372  -5.807  -4.936
  389    H    TYR  58           H        TYR  58   3.814  -5.305  -2.024
  390    HA   TYR  58           HA       TYR  58   4.383  -8.034  -0.987
  391   1HB   TYR  58          1HB       TYR  58   2.798  -5.641   0.002
  392   2HB   TYR  58          2HB       TYR  58   2.083  -7.225   0.335
  393    HD1  TYR  58           HD1      TYR  58   2.944  -8.679   2.001
  394    HD2  TYR  58           HD2      TYR  58   5.182  -5.190   0.809
  395    HE1  TYR  58           HE1      TYR  58   4.274  -8.897   3.955
  396    HE2  TYR  58           HE2      TYR  58   6.537  -5.387   2.842
  397    HH   TYR  58           HH       TYR  58   5.988  -8.088   5.193
  398    H    LYS  59           H        LYS  59   2.732  -9.471  -0.751
  399    HA   LYS  59           HA       LYS  59   0.726  -9.960  -2.614
  400   1HB   LYS  59          1HB       LYS  59   1.137 -10.881   0.253
  401   2HB   LYS  59          2HB       LYS  59  -0.118 -11.553  -0.839
  402   1HG   LYS  59          1HG       LYS  59   1.655 -12.329  -2.438
  403   2HG   LYS  59          2HG       LYS  59   2.922 -11.592  -1.417
  404   1HD   LYS  59          1HD       LYS  59   1.994 -13.062   0.526
  405   2HD   LYS  59          2HD       LYS  59   1.203 -14.028  -0.760
  406   1HE   LYS  59          1HE       LYS  59   4.219 -13.399  -0.474
  407   2HE   LYS  59          2HE       LYS  59   3.428 -14.984  -0.101
  408   1HZ   LYS  59          1HZ       LYS  59   2.821 -15.164  -2.412
  409   2HZ   LYS  59          2HZ       LYS  59   4.500 -14.974  -2.240
  410   3HZ   LYS  59          3HZ       LYS  59   3.548 -13.671  -2.765
  411    H    ALA  60           H        ALA  60  -1.613 -10.195  -2.050
  412    HA   ALA  60           HA       ALA  60  -2.371  -7.459  -1.793
  413   1HB   ALA  60          1HB       ALA  60  -4.139  -8.156  -3.390
  414   2HB   ALA  60          2HB       ALA  60  -3.730  -9.888  -3.038
  415   3HB   ALA  60          3HB       ALA  60  -2.546  -8.834  -3.864
  416    H    CYS  61           H        CYS  61  -4.552  -6.804  -1.623
  417    HA   CYS  61           HA       CYS  61  -5.732  -7.598   0.969
  418   1HB   CYS  61          1HB       CYS  61  -5.029  -5.051  -0.176
  419   2HB   CYS  61          2HB       CYS  61  -6.794  -5.087  -0.292
  420    H    HIS  62           H        HIS  62  -5.947  -9.012  -1.443
  421    HA   HIS  62           HA       HIS  62  -8.366  -8.162  -2.836
  422   1HB   HIS  62          1HB       HIS  62  -6.445  -8.289  -4.178
  423   2HB   HIS  62          2HB       HIS  62  -5.965  -9.892  -3.542
  424    HD1  HIS  62           HD1      HIS  62  -9.360  -9.043  -4.913
  425    HD2  HIS  62           HD2      HIS  62  -5.910 -11.129  -6.025
  426    HE1  HIS  62           HE1      HIS  62  -9.894 -10.265  -7.050
  427    HE2  HIS  62           HE2      HIS  62  -7.770 -11.476  -7.734
  428    H    ASN  63           H        ASN  63  -9.183  -9.005  -0.590
  429    HA   ASN  63           HA       ASN  63  -9.753 -11.721  -0.267
  430   1HB   ASN  63          1HB       ASN  63 -11.530 -10.764   1.400
  431   2HB   ASN  63          2HB       ASN  63  -9.784 -10.531   1.704
  432   1HD2  ASN  63          1HD2      ASN  63  -9.581  -8.391   2.702
  433   2HD2  ASN  63          2HD2      ASN  63 -10.337  -7.023   2.010
  434    H    SER  64           H        SER  64 -11.638  -9.127  -1.550
  435    HA   SER  64           HA       SER  64 -13.989 -10.824  -1.829
  436   1HB   SER  64          1HB       SER  64 -13.661  -7.838  -2.369
  437   2HB   SER  64          2HB       SER  64 -15.233  -8.720  -2.262
  438    HG   SER  64           HG       SER  64 -13.248  -8.357  -0.214
  439    H    GLU  65           H        GLU  65 -12.002  -9.017  -4.189
  440    HA   GLU  65           HA       GLU  65 -13.819  -9.027  -6.259
  441   1HB   GLU  65          1HB       GLU  65 -12.047  -7.483  -6.290
  442   2HB   GLU  65          2HB       GLU  65 -10.831  -8.768  -6.127
  443   1HG   GLU  65          1HG       GLU  65 -11.222  -9.505  -8.507
  444   2HG   GLU  65          2HG       GLU  65 -12.486  -8.233  -8.681
  445    HE2  GLU  65           HE2      GLU  65  -8.615  -7.121  -8.328
  446    H    ILE  66           H        ILE  66 -11.792 -11.795  -5.489
  447    HA   ILE  66           HA       ILE  66 -12.504 -13.106  -8.030
  448    HB   ILE  66           HB       ILE  66 -11.147 -14.291  -5.583
  449   1HG1  ILE  66          1HG1      ILE  66  -9.886 -13.807  -8.323
  450   2HG1  ILE  66          2HG1      ILE  66  -9.940 -12.476  -7.158
  451   1HG2  ILE  66          1HG2      ILE  66 -12.398 -16.041  -6.962
  452   2HG2  ILE  66          2HG2      ILE  66 -10.626 -16.215  -7.088
  453   3HG2  ILE  66          3HG2      ILE  66 -11.543 -15.450  -8.428
  454   1HD1  ILE  66          1HD1      ILE  66  -7.775 -13.779  -7.013
  455   2HD1  ILE  66          2HD1      ILE  66  -8.707 -15.248  -6.569
  456   3HD1  ILE  66          3HD1      ILE  66  -8.689 -13.830  -5.460
  457    H    GLU  67           H        GLU  67 -13.310 -13.803  -4.424
  458    HA   GLU  67           HA       GLU  67 -15.928 -14.505  -5.215
  459   1HB   GLU  67          1HB       GLU  67 -14.022 -16.621  -4.048
  460   2HB   GLU  67          2HB       GLU  67 -15.808 -16.695  -3.839
  461   1HG   GLU  67          1HG       GLU  67 -16.096 -16.737  -6.361
  462   2HG   GLU  67          2HG       GLU  67 -14.301 -16.867  -6.501
  463    HE2  GLU  67           HE2      GLU  67 -15.533 -18.603  -7.600
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1  -9.098 -10.070   4.215
    2   2H    GLY   1          2H        GLY   1 -10.088  -9.522   5.487
    3   3H    GLY   1          3H        GLY   1  -9.781 -11.184   5.302
    4   1HA   GLY   1          1HA       GLY   1  -7.430 -10.767   5.685
    5   2HA   GLY   1          2HA       GLY   1  -7.896  -9.060   6.083
    6    H    ASP   2           H        ASP   2  -7.599 -12.317   7.214
    7    HA   ASP   2           HA       ASP   2  -8.489 -11.652   9.919
    8   1HB   ASP   2          1HB       ASP   2  -9.844 -13.847   8.155
    9   2HB   ASP   2          2HB       ASP   2 -10.123 -13.624   9.920
   10    HD2  ASP   2           HD2      ASP   2 -12.130 -10.842   9.521
   11    H    ASP   3           H        ASP   3  -6.011 -12.064   9.350
   12    HA   ASP   3           HA       ASP   3  -5.410 -14.471  10.676
   13   1HB   ASP   3          1HB       ASP   3  -5.646 -15.247   8.189
   14   2HB   ASP   3          2HB       ASP   3  -4.127 -14.361   7.867
   15    HD2  ASP   3           HD2      ASP   3  -2.507 -17.279   8.674
   16    H    VAL   4           H        VAL   4  -3.640 -12.175   8.461
   17    HA   VAL   4           HA       VAL   4  -1.830 -11.566  10.676
   18    HB   VAL   4           HB       VAL   4  -1.087 -11.564   7.722
   19   1HG1  VAL   4          1HG1      VAL   4   1.236 -11.732   8.713
   20   2HG1  VAL   4          2HG1      VAL   4   0.532 -11.721  10.367
   21   3HG1  VAL   4          3HG1      VAL   4   0.396 -10.271   9.313
   22   1HG2  VAL   4          1HG2      VAL   4  -1.678 -13.919   8.155
   23   2HG2  VAL   4          2HG2      VAL   4  -0.846 -13.870   9.760
   24   3HG2  VAL   4          3HG2      VAL   4   0.108 -13.766   8.239
   25    H    LYS   5           H        LYS   5  -1.528  -9.338  10.987
   26    HA   LYS   5           HA       LYS   5  -3.232  -7.604   9.366
   27   1HB   LYS   5          1HB       LYS   5  -1.763  -7.210  12.013
   28   2HB   LYS   5          2HB       LYS   5  -2.905  -6.029  11.307
   29   1HG   LYS   5          1HG       LYS   5  -4.774  -7.714  11.549
   30   2HG   LYS   5          2HG       LYS   5  -3.614  -8.894  12.222
   31   1HD   LYS   5          1HD       LYS   5  -2.998  -7.199  14.018
   32   2HD   LYS   5          2HD       LYS   5  -4.378  -6.184  13.469
   33   1HE   LYS   5          1HE       LYS   5  -5.958  -8.093  14.018
   34   2HE   LYS   5          2HE       LYS   5  -4.537  -9.101  14.516
   35   1HZ   LYS   5          1HZ       LYS   5  -5.552  -8.098  16.396
   36   2HZ   LYS   5          2HZ       LYS   5  -5.411  -6.541  15.737
   37   3HZ   LYS   5          3HZ       LYS   5  -4.016  -7.413  16.165
   38    H    SER   6           H        SER   6  -0.515  -8.614   8.713
   39    HA   SER   6           HA       SER   6   1.352  -6.525   8.477
   40   1HB   SER   6          1HB       SER   6   2.492  -7.944   6.770
   41   2HB   SER   6          2HB       SER   6   2.055  -8.833   8.255
   42    HG   SER   6           HG       SER   6   1.594  -9.893   6.268
   43    H    ALA   7           H        ALA   7   2.185  -5.650   6.327
   44    HA   ALA   7           HA       ALA   7   0.249  -4.131   5.010
   45   1HB   ALA   7          1HB       ALA   7   2.168  -3.620   3.445
   46   2HB   ALA   7          2HB       ALA   7   3.052  -5.055   4.090
   47   3HB   ALA   7          3HB       ALA   7   2.721  -3.652   5.156
   48    H    CYS   8           H        CYS   8  -0.296  -4.165   2.658
   49    HA   CYS   8           HA       CYS   8  -0.003  -6.734   1.345
   50   1HB   CYS   8          1HB       CYS   8  -2.244  -7.228   0.927
   51   2HB   CYS   8          2HB       CYS   8  -2.193  -6.875   2.674
   52    H    CYS   9           H        CYS   9  -0.049  -6.544  -1.021
   53    HA   CYS   9           HA       CYS   9  -0.867  -3.967  -2.005
   54   1HB   CYS   9          1HB       CYS   9   1.529  -3.667  -1.101
   55   2HB   CYS   9          2HB       CYS   9   2.060  -4.864  -2.314
   56    H    ASP  10           H        ASP  10  -1.814  -4.266  -4.059
   57    HA   ASP  10           HA       ASP  10  -0.908  -6.563  -5.605
   58   1HB   ASP  10          1HB       ASP  10  -2.854  -6.042  -7.023
   59   2HB   ASP  10          2HB       ASP  10  -3.271  -6.235  -5.313
   60    HD2  ASP  10           HD2      ASP  10  -3.055  -3.996  -7.883
   61    H    THR  11           H        THR  11  -0.416  -3.087  -5.628
   62    HA   THR  11           HA       THR  11   1.079  -3.181  -8.135
   63    HB   THR  11           HB       THR  11  -1.406  -1.419  -7.705
   64    HG1  THR  11           HG1      THR  11  -1.043  -3.552  -9.571
   65   1HG2  THR  11          1HG2      THR  11   0.326  -0.318  -9.152
   66   2HG2  THR  11          2HG2      THR  11  -1.078  -0.821 -10.126
   67   3HG2  THR  11          3HG2      THR  11   0.433  -1.800 -10.178
   68    H    CYS  12           H        CYS  12   2.668  -1.626  -8.117
   69    HA   CYS  12           HA       CYS  12   2.618   0.379  -6.034
   70   1HB   CYS  12          1HB       CYS  12   4.531  -0.631  -4.922
   71   2HB   CYS  12          2HB       CYS  12   3.176  -1.838  -5.054
   72    H    LEU  13           H        LEU  13   3.841   2.035  -6.232
   73    HA   LEU  13           HA       LEU  13   5.481   2.361  -8.613
   74   1HB   LEU  13          1HB       LEU  13   3.896   4.127  -8.142
   75   2HB   LEU  13          2HB       LEU  13   4.490   4.277  -6.453
   76    HG   LEU  13           HG       LEU  13   6.820   4.901  -7.600
   77   1HD1  LEU  13          1HD1      LEU  13   6.594   5.867  -9.892
   78   2HD1  LEU  13          2HD1      LEU  13   4.861   5.370  -9.940
   79   3HD1  LEU  13          3HD1      LEU  13   6.153   4.123  -9.923
   80   1HD2  LEU  13          1HD2      LEU  13   6.117   7.279  -7.888
   81   2HD2  LEU  13          2HD2      LEU  13   5.447   6.558  -6.382
   82   3HD2  LEU  13          3HD2      LEU  13   4.390   6.781  -7.824
   83    H    CYS  14           H        CYS  14   7.439   1.502  -8.406
   84    HA   CYS  14           HA       CYS  14   8.858   1.837  -5.871
   85   1HB   CYS  14          1HB       CYS  14   9.556   0.235  -8.350
   86   2HB   CYS  14          2HB       CYS  14  10.720   0.565  -7.060
   87    H    THR  15           H        THR  15  10.358   3.172  -5.428
   88    HA   THR  15           HA       THR  15  11.107   5.206  -7.321
   89    HB   THR  15           HB       THR  15  12.766   5.928  -5.635
   90    HG1  THR  15           HG1      THR  15  11.443   4.179  -3.879
   91   1HG2  THR  15          1HG2      THR  15  10.379   6.761  -5.735
   92   2HG2  THR  15          2HG2      THR  15  11.026   6.747  -4.052
   93   3HG2  THR  15          3HG2      THR  15   9.859   5.486  -4.590
   94    H    ARG  16           H        ARG  16  13.013   5.528  -8.351
   95    HA   ARG  16           HA       ARG  16  14.870   3.313  -8.570
   96   1HB   ARG  16          1HB       ARG  16  14.810   6.013  -9.990
   97   2HB   ARG  16          2HB       ARG  16  15.993   4.682 -10.286
   98   1HG   ARG  16          1HG       ARG  16  14.150   3.138 -10.886
   99   2HG   ARG  16          2HG       ARG  16  12.942   4.455 -10.655
  100   1HD   ARG  16          1HD       ARG  16  14.079   5.769 -12.515
  101   2HD   ARG  16          2HD       ARG  16  15.173   4.340 -12.796
  102    HE   ARG  16           HE       ARG  16  12.357   3.552 -12.739
  103   1HH1  ARG  16          1HH1      ARG  16  14.800   5.143 -14.791
  104   2HH1  ARG  16          2HH1      ARG  16  13.879   4.955 -16.252
  105   1HH2  ARG  16          1HH2      ARG  16  11.193   3.224 -14.712
  106   2HH2  ARG  16          2HH2      ARG  16  11.843   3.791 -16.219
  107    H    SER  17           H        SER  17  16.515   3.154  -7.113
  108    HA   SER  17           HA       SER  17  17.893   5.258  -5.903
  109   1HB   SER  17          1HB       SER  17  15.516   5.575  -4.824
  110   2HB   SER  17          2HB       SER  17  15.792   4.002  -4.031
  111    HG   SER  17           HG       SER  17  16.299   5.943  -2.841
  112    H    GLN  18           H        GLN  18  18.741   4.190  -3.678
  113    HA   GLN  18           HA       GLN  18  18.952   1.320  -3.829
  114   1HB   GLN  18          1HB       GLN  18  20.674   2.517  -5.425
  115   2HB   GLN  18          2HB       GLN  18  21.599   2.810  -3.940
  116   1HG   GLN  18          1HG       GLN  18  20.620   0.065  -5.066
  117   2HG   GLN  18          2HG       GLN  18  22.309   0.679  -5.109
  118   1HE2  GLN  18          1HE2      GLN  18  23.032   1.421  -2.718
  119   2HE2  GLN  18          2HE2      GLN  18  22.842   0.126  -1.546
  120    HA   PRO  19           HA       PRO  19  18.383   0.001  -2.204
  121   1HB   PRO  19          1HB       PRO  19  16.650  -0.197  -0.018
  122   2HB   PRO  19          2HB       PRO  19  18.420  -0.652   0.094
  123   1HG   PRO  19          1HG       PRO  19  17.149   2.061   0.800
  124   2HG   PRO  19          2HG       PRO  19  18.165   1.012   1.867
  125   1HD   PRO  19          1HD       PRO  19  19.289   3.056   0.409
  126   2HD   PRO  19          2HD       PRO  19  20.156   1.458   0.516
  127    HA   PRO  20           HA       PRO  20  14.805   2.218  -3.815
  128   1HB   PRO  20          1HB       PRO  20  13.144   0.171  -4.591
  129   2HB   PRO  20          2HB       PRO  20  14.744   0.442  -5.401
  130   1HG   PRO  20          1HG       PRO  20  14.126  -1.508  -3.112
  131   2HG   PRO  20          2HG       PRO  20  14.914  -1.882  -4.704
  132   1HD   PRO  20          1HD       PRO  20  16.374  -1.334  -2.411
  133   2HD   PRO  20          2HD       PRO  20  16.943  -0.758  -4.061
  134    H    THR  21           H        THR  21  12.405   2.294  -3.512
  135    HA   THR  21           HA       THR  21  11.330   1.360  -0.954
  136    HB   THR  21           HB       THR  21  11.973   4.291  -1.681
  137    HG1  THR  21           HG1      THR  21  13.004   2.426  -0.014
  138   1HG2  THR  21          1HG2      THR  21  10.760   4.904   0.462
  139   2HG2  THR  21          2HG2      THR  21  10.099   3.235   0.549
  140   3HG2  THR  21          3HG2      THR  21   9.661   4.330  -0.817
  141    H    CYS  22           H        CYS  22   9.067   1.238  -1.123
  142    HA   CYS  22           HA       CYS  22   8.022   2.248  -3.715
  143   1HB   CYS  22          1HB       CYS  22   7.742  -0.660  -2.802
  144   2HB   CYS  22          2HB       CYS  22   7.164   0.028  -4.325
  145    H    ARG  23           H        ARG  23   6.291   3.213  -3.521
  146    HA   ARG  23           HA       ARG  23   4.411   3.011  -1.385
  147   1HB   ARG  23          1HB       ARG  23   4.373   4.352  -4.134
  148   2HB   ARG  23          2HB       ARG  23   3.016   4.458  -2.947
  149   1HG   ARG  23          1HG       ARG  23   4.378   5.603  -1.319
  150   2HG   ARG  23          2HG       ARG  23   5.868   5.412  -2.287
  151   1HD   ARG  23          1HD       ARG  23   4.868   7.757  -2.524
  152   2HD   ARG  23          2HD       ARG  23   5.031   6.860  -4.076
  153    HE   ARG  23           HE       ARG  23   2.779   6.840  -4.356
  154   1HH1  ARG  23          1HH1      ARG  23   3.302   7.829  -0.932
  155   2HH1  ARG  23          2HH1      ARG  23   1.649   8.217  -0.684
  156   1HH2  ARG  23          1HH2      ARG  23   0.675   7.315  -4.011
  157   2HH2  ARG  23          2HH2      ARG  23   0.068   7.932  -2.510
  158    H    CYS  24           H        CYS  24   2.475   1.905  -1.310
  159    HA   CYS  24           HA       CYS  24   1.832   0.223  -3.654
  160   1HB   CYS  24          1HB       CYS  24   1.641  -0.698  -1.219
  161   2HB   CYS  24          2HB       CYS  24   0.184   0.333  -1.076
  162    H    VAL  25           H        VAL  25   0.723   1.268  -5.278
  163    HA   VAL  25           HA       VAL  25  -0.468   3.770  -4.762
  164    HB   VAL  25           HB       VAL  25  -1.178   3.772  -7.141
  165   1HG1  VAL  25          1HG1      VAL  25   0.861   4.896  -6.259
  166   2HG1  VAL  25          2HG1      VAL  25   1.189   4.176  -7.876
  167   3HG1  VAL  25          3HG1      VAL  25   1.794   3.360  -6.390
  168   1HG2  VAL  25          1HG2      VAL  25   0.587   1.232  -7.317
  169   2HG2  VAL  25          2HG2      VAL  25  -0.138   2.144  -8.663
  170   3HG2  VAL  25          3HG2      VAL  25  -1.208   1.254  -7.543
  171    H    ASP  26           H        ASP  26  -1.761   0.560  -4.976
  172    HA   ASP  26           HA       ASP  26  -4.420   1.427  -5.485
  173   1HB   ASP  26          1HB       ASP  26  -3.521  -0.880  -6.014
  174   2HB   ASP  26          2HB       ASP  26  -3.654  -1.276  -4.255
  175    HD2  ASP  26           HD2      ASP  26  -5.707  -1.114  -3.383
  176    H    VAL  27           H        VAL  27  -5.669   2.614  -4.162
  177    HA   VAL  27           HA       VAL  27  -5.097   2.633  -1.343
  178    HB   VAL  27           HB       VAL  27  -6.367   4.511  -1.106
  179   1HG1  VAL  27          1HG1      VAL  27  -5.454   6.030  -2.753
  180   2HG1  VAL  27          2HG1      VAL  27  -5.315   4.737  -3.998
  181   3HG1  VAL  27          3HG1      VAL  27  -4.252   4.700  -2.540
  182   1HG2  VAL  27          1HG2      VAL  27  -7.925   5.383  -2.920
  183   2HG2  VAL  27          2HG2      VAL  27  -8.496   3.882  -2.126
  184   3HG2  VAL  27          3HG2      VAL  27  -7.753   3.804  -3.771
  185    H    ARG  28           H        ARG  28  -6.604   2.391   0.365
  186    HA   ARG  28           HA       ARG  28  -8.856   0.580  -0.313
  187   1HB   ARG  28          1HB       ARG  28  -6.755   0.356   1.904
  188   2HB   ARG  28          2HB       ARG  28  -8.310  -0.551   1.938
  189   1HG   ARG  28          1HG       ARG  28  -7.055  -2.194   1.044
  190   2HG   ARG  28          2HG       ARG  28  -7.537  -1.369  -0.487
  191   1HD   ARG  28          1HD       ARG  28  -5.323  -0.063  -0.317
  192   2HD   ARG  28          2HD       ARG  28  -4.895  -1.114   1.088
  193    HE   ARG  28           HE       ARG  28  -5.751  -2.664  -1.273
  194   1HH1  ARG  28          1HH1      ARG  28  -3.033  -0.991   0.285
  195   2HH1  ARG  28          2HH1      ARG  28  -1.803  -1.800  -0.639
  196   1HH2  ARG  28          1HH2      ARG  28  -4.119  -3.722  -2.545
  197   2HH2  ARG  28          2HH2      ARG  28  -2.439  -3.377  -2.264
  198    H    GLU  29           H        GLU  29 -10.225   0.242   1.643
  199    HA   GLU  29           HA       GLU  29 -11.448   2.488   2.686
  200   1HB   GLU  29          1HB       GLU  29 -11.354  -0.460   3.342
  201   2HB   GLU  29          2HB       GLU  29 -12.408   0.668   4.264
  202   1HG   GLU  29          1HG       GLU  29 -13.519   1.398   2.095
  203   2HG   GLU  29          2HG       GLU  29 -12.534   0.197   1.187
  204    HE2  GLU  29           HE2      GLU  29 -14.420  -2.458   2.195
  205    H    SER  30           H        SER  30  -8.765   0.580   3.927
  206    HA   SER  30           HA       SER  30  -8.371   2.527   6.055
  207   1HB   SER  30          1HB       SER  30  -8.581   0.793   7.912
  208   2HB   SER  30          2HB       SER  30 -10.104   0.908   6.985
  209    HG   SER  30           HG       SER  30  -9.479  -1.255   7.316
  210    H    CYS  31           H        CYS  31  -6.710   1.730   7.682
  211    HA   CYS  31           HA       CYS  31  -4.280   0.985   6.256
  212   1HB   CYS  31          1HB       CYS  31  -4.657   3.054   7.739
  213   2HB   CYS  31          2HB       CYS  31  -4.708   1.932   9.154
  214    H    HIS  32           H        HIS  32  -2.736  -0.671   7.122
  215    HA   HIS  32           HA       HIS  32  -3.981  -2.696   8.874
  216   1HB   HIS  32          1HB       HIS  32  -1.510  -2.897   7.045
  217   2HB   HIS  32          2HB       HIS  32  -2.307  -4.261   7.910
  218    HD1  HIS  32           HD1      HIS  32  -2.191  -2.543   4.825
  219    HD2  HIS  32           HD2      HIS  32  -5.116  -4.716   6.879
  220    HE1  HIS  32           HE1      HIS  32  -3.933  -3.142   3.148
  221    HE2  HIS  32           HE2      HIS  32  -5.735  -4.456   4.408
  222    H    SER  33           H        SER  33  -1.437  -3.776   9.966
  223    HA   SER  33           HA       SER  33  -1.196  -1.894  12.028
  224   1HB   SER  33          1HB       SER  33   0.445  -4.423  11.334
  225   2HB   SER  33          2HB       SER  33   0.678  -3.488  12.861
  226    HG   SER  33           HG       SER  33  -0.749  -5.279  13.051
  227    H    ALA  34           H        ALA  34   1.508  -3.076   9.889
  228    HA   ALA  34           HA       ALA  34   3.188  -1.086  11.045
  229   1HB   ALA  34          1HB       ALA  34   3.909  -3.450  10.801
  230   2HB   ALA  34          2HB       ALA  34   5.000  -2.342   9.901
  231   3HB   ALA  34          3HB       ALA  34   3.770  -3.304   8.996
  232    H    CYS  35           H        CYS  35   1.345   0.230   9.636
  233    HA   CYS  35           HA       CYS  35   3.283   1.718   8.004
  234   1HB   CYS  35          1HB       CYS  35   1.442   0.830   6.529
  235   2HB   CYS  35          2HB       CYS  35   0.254   1.740   7.559
  236    H    ASP  36           H        ASP  36   3.915   3.407   9.378
  237    HA   ASP  36           HA       ASP  36   2.143   4.169  11.490
  238   1HB   ASP  36          1HB       ASP  36   3.888   5.740  12.185
  239   2HB   ASP  36          2HB       ASP  36   4.586   4.126  11.818
  240    HD2  ASP  36           HD2      ASP  36   6.423   5.279   9.134
  241    H    LYS  37           H        LYS  37   3.157   5.694   8.455
  242    HA   LYS  37           HA       LYS  37   1.237   7.844   8.905
  243   1HB   LYS  37          1HB       LYS  37   3.738   8.180   8.358
  244   2HB   LYS  37          2HB       LYS  37   3.289   7.769   6.684
  245   1HG   LYS  37          1HG       LYS  37   1.568   9.595   6.724
  246   2HG   LYS  37          2HG       LYS  37   2.080  10.002   8.402
  247   1HD   LYS  37          1HD       LYS  37   4.470  10.370   7.475
  248   2HD   LYS  37          2HD       LYS  37   3.808  10.084   5.835
  249   1HE   LYS  37          1HE       LYS  37   4.001  12.475   6.177
  250   2HE   LYS  37          2HE       LYS  37   2.235  12.083   6.181
  251   1HZ   LYS  37          1HZ       LYS  37   2.322  12.102   8.601
  252   2HZ   LYS  37          2HZ       LYS  37   2.859  13.576   7.943
  253   3HZ   LYS  37          3HZ       LYS  37   3.982  12.464   8.562
  254    H    CYS  38           H        CYS  38  -0.488   6.216   8.575
  255    HA   CYS  38           HA       CYS  38  -1.242   5.911   5.773
  256   1HB   CYS  38          1HB       CYS  38  -2.221   5.099   8.506
  257   2HB   CYS  38          2HB       CYS  38  -3.484   5.261   7.235
  258    H    VAL  39           H        VAL  39  -2.018   7.654   4.674
  259    HA   VAL  39           HA       VAL  39  -3.381   9.766   6.204
  260    HB   VAL  39           HB       VAL  39  -1.908   9.729   3.540
  261   1HG1  VAL  39          1HG1      VAL  39  -2.079  12.222   3.750
  262   2HG1  VAL  39          2HG1      VAL  39  -3.140  12.014   5.203
  263   3HG1  VAL  39          3HG1      VAL  39  -3.696  11.444   3.566
  264   1HG2  VAL  39          1HG2      VAL  39  -1.132  10.825   6.319
  265   2HG2  VAL  39          2HG2      VAL  39  -0.254  11.209   4.786
  266   3HG2  VAL  39          3HG2      VAL  39  -0.292   9.504   5.398
  267    H    CYS  40           H        CYS  40  -5.559  10.135   5.472
  268    HA   CYS  40           HA       CYS  40  -6.396   8.657   3.095
  269   1HB   CYS  40          1HB       CYS  40  -6.440   7.200   5.115
  270   2HB   CYS  40          2HB       CYS  40  -7.602   8.329   5.885
  271    H    ALA  41           H        ALA  41  -7.327  10.022   1.903
  272    HA   ALA  41           HA       ALA  41  -8.682  12.351   2.909
  273   1HB   ALA  41          1HB       ALA  41  -8.838  11.133   0.112
  274   2HB   ALA  41          2HB       ALA  41  -7.682  12.404   0.655
  275   3HB   ALA  41          3HB       ALA  41  -9.446  12.750   0.612
  276    H    TYR  42           H        TYR  42 -10.885  12.845   2.804
  277    HA   TYR  42           HA       TYR  42 -12.352  10.824   4.068
  278   1HB   TYR  42          1HB       TYR  42 -13.902  12.858   4.496
  279   2HB   TYR  42          2HB       TYR  42 -12.165  12.988   4.972
  280    HD1  TYR  42           HD1      TYR  42 -11.608  15.271   4.833
  281    HD2  TYR  42           HD2      TYR  42 -13.860  13.587   1.546
  282    HE1  TYR  42           HE1      TYR  42 -11.476  17.385   3.611
  283    HE2  TYR  42           HE2      TYR  42 -13.645  15.668   0.331
  284    HH   TYR  42           HH       TYR  42 -12.775  17.766   0.302
  285    H    SER  43           H        SER  43 -12.040  10.922   1.082
  286    HA   SER  43           HA       SER  43 -14.381  11.413  -0.266
  287   1HB   SER  43          1HB       SER  43 -12.276   9.333  -1.057
  288   2HB   SER  43          2HB       SER  43 -13.370  10.280  -2.158
  289    HG   SER  43           HG       SER  43 -11.435  11.226  -2.207
  290    H    ASN  44           H        ASN  44 -15.180   9.506  -1.843
  291    HA   ASN  44           HA       ASN  44 -15.961   7.176  -0.311
  292   1HB   ASN  44          1HB       ASN  44 -17.605   9.016   0.045
  293   2HB   ASN  44          2HB       ASN  44 -17.849   9.150  -1.713
  294   1HD2  ASN  44          1HD2      ASN  44 -18.781   7.066  -2.810
  295   2HD2  ASN  44          2HD2      ASN  44 -19.778   6.036  -1.847
  296    HA   PRO  45           HA       PRO  45 -15.296   5.314  -0.651
  297   1HB   PRO  45          1HB       PRO  45 -13.430   3.562  -1.670
  298   2HB   PRO  45          2HB       PRO  45 -15.161   3.380  -2.001
  299   1HG   PRO  45          1HG       PRO  45 -13.085   4.754  -3.777
  300   2HG   PRO  45          2HG       PRO  45 -14.272   3.504  -4.263
  301   1HD   PRO  45          1HD       PRO  45 -14.665   6.257  -4.579
  302   2HD   PRO  45          2HD       PRO  45 -16.062   5.128  -4.277
  303    HA   PRO  46           HA       PRO  46 -12.096   7.937   0.527
  304   1HB   PRO  46          1HB       PRO  46 -11.042   6.847   2.806
  305   2HB   PRO  46          2HB       PRO  46 -12.794   7.273   2.693
  306   1HG   PRO  46          1HG       PRO  46 -11.521   4.546   2.125
  307   2HG   PRO  46          2HG       PRO  46 -12.837   4.940   3.330
  308   1HD   PRO  46          1HD       PRO  46 -13.402   4.032   0.770
  309   2HD   PRO  46          2HD       PRO  46 -14.423   5.402   1.561
  310    H    GLN  47           H        GLN  47  -9.652   8.280   0.935
  311    HA   GLN  47           HA       GLN  47  -8.322   6.455  -0.997
  312   1HB   GLN  47          1HB       GLN  47  -7.665   9.398  -0.450
  313   2HB   GLN  47          2HB       GLN  47  -6.974   8.370  -1.742
  314   1HG   GLN  47          1HG       GLN  47  -9.983   9.139  -1.576
  315   2HG   GLN  47          2HG       GLN  47  -8.750  10.107  -2.450
  316   1HE2  GLN  47          1HE2      GLN  47  -7.479   8.934  -4.181
  317   2HE2  GLN  47          2HE2      GLN  47  -8.287   7.686  -5.088
  318    H    CYS  48           H        CYS  48  -7.953   5.123   1.028
  319    HA   CYS  48           HA       CYS  48  -6.032   6.339   2.857
  320   1HB   CYS  48          1HB       CYS  48  -7.157   3.518   2.994
  321   2HB   CYS  48          2HB       CYS  48  -6.027   4.278   4.157
  322    H    GLN  49           H        GLN  49  -4.017   6.431   2.600
  323    HA   GLN  49           HA       GLN  49  -2.661   4.499   0.853
  324   1HB   GLN  49          1HB       GLN  49  -2.677   7.536   1.125
  325   2HB   GLN  49          2HB       GLN  49  -1.272   6.712   0.330
  326   1HG   GLN  49          1HG       GLN  49  -2.685   5.814  -1.451
  327   2HG   GLN  49          2HG       GLN  49  -4.194   6.360  -0.631
  328   1HE2  GLN  49          1HE2      GLN  49  -4.339   8.743  -0.188
  329   2HE2  GLN  49          2HE2      GLN  49  -3.696   9.852  -1.374
  330    H    CYS  50           H        CYS  50  -0.860   3.669   1.603
  331    HA   CYS  50           HA       CYS  50   0.268   4.623   4.138
  332   1HB   CYS  50          1HB       CYS  50   0.033   2.117   3.717
  333   2HB   CYS  50          2HB       CYS  50   1.136   2.282   2.321
  334    H    TYR  51           H        TYR  51   1.074   6.577   3.715
  335    HA   TYR  51           HA       TYR  51   2.844   7.309   1.642
  336   1HB   TYR  51          1HB       TYR  51   1.973   8.504   4.289
  337   2HB   TYR  51          2HB       TYR  51   3.536   9.060   3.656
  338    HD1  TYR  51           HD1      TYR  51  -0.091   8.587   2.644
  339    HD2  TYR  51           HD2      TYR  51   3.630  10.609   1.759
  340    HE1  TYR  51           HE1      TYR  51  -1.233  10.033   1.075
  341    HE2  TYR  51           HE2      TYR  51   2.506  12.009   0.207
  342    HH   TYR  51           HH       TYR  51   0.576  12.416  -0.951
  343    H    ASP  52           H        ASP  52   3.450   6.143   4.890
  344    HA   ASP  52           HA       ASP  52   6.330   6.365   4.391
  345   1HB   ASP  52          1HB       ASP  52   4.762   5.845   6.948
  346   2HB   ASP  52          2HB       ASP  52   6.503   5.465   6.839
  347    HD2  ASP  52           HD2      ASP  52   7.074   8.650   7.816
  348    H    THR  53           H        THR  53   7.351   4.964   3.395
  349    HA   THR  53           HA       THR  53   7.163   2.157   4.005
  350    HB   THR  53           HB       THR  53   5.592   2.309   2.137
  351    HG1  THR  53           HG1      THR  53   6.700   1.043   0.625
  352   1HG2  THR  53          1HG2      THR  53   6.313   3.215  -0.077
  353   2HG2  THR  53          2HG2      THR  53   7.893   3.721   0.604
  354   3HG2  THR  53          3HG2      THR  53   6.365   4.493   1.158
  355    H    HIS  54           H        HIS  54   9.050   1.170   2.877
  356    HA   HIS  54           HA       HIS  54  11.289   2.901   2.460
  357   1HB   HIS  54          1HB       HIS  54  11.231   2.780   5.030
  358   2HB   HIS  54          2HB       HIS  54  11.583   1.029   4.901
  359    HD1  HIS  54           HD1      HIS  54  13.262   3.319   6.192
  360    HD2  HIS  54           HD2      HIS  54  14.095   1.653   2.438
  361    HE1  HIS  54           HE1      HIS  54  15.672   3.764   5.722
  362    HE2  HIS  54           HE2      HIS  54  16.169   2.753   3.433
  363    H    LYS  55           H        LYS  55  10.416  -0.443   3.403
  364    HA   LYS  55           HA       LYS  55  12.324  -1.676   1.867
  365   1HB   LYS  55          1HB       LYS  55   9.677  -2.480   3.161
  366   2HB   LYS  55          2HB       LYS  55  10.807  -3.712   2.466
  367   1HG   LYS  55          1HG       LYS  55  12.462  -3.319   4.101
  368   2HG   LYS  55          2HG       LYS  55  11.827  -1.706   4.535
  369   1HD   LYS  55          1HD       LYS  55   9.727  -2.806   5.468
  370   2HD   LYS  55          2HD       LYS  55  10.503  -4.404   5.189
  371   1HE   LYS  55          1HE       LYS  55  10.790  -3.677   7.552
  372   2HE   LYS  55          2HE       LYS  55  12.397  -3.727   6.719
  373   1HZ   LYS  55          1HZ       LYS  55  10.743  -1.283   7.140
  374   2HZ   LYS  55          2HZ       LYS  55  12.276  -1.361   6.418
  375   3HZ   LYS  55          3HZ       LYS  55  12.095  -1.743   8.063
  376    H    PHE  56           H        PHE  56   9.266  -3.112   1.026
  377    HA   PHE  56           HA       PHE  56   9.513  -2.258  -1.736
  378   1HB   PHE  56          1HB       PHE  56  10.077  -4.649  -2.487
  379   2HB   PHE  56          2HB       PHE  56  11.393  -3.792  -1.647
  380    HD1  PHE  56           HD1      PHE  56   8.736  -6.390  -1.239
  381    HD2  PHE  56           HD2      PHE  56  12.252  -4.577   0.473
  382    HE1  PHE  56           HE1      PHE  56   8.876  -8.203   0.404
  383    HE2  PHE  56           HE2      PHE  56  12.380  -6.388   2.124
  384    HZ   PHE  56           HZ       PHE  56  10.698  -8.216   2.110
  385    H    CYS  57           H        CYS  57   8.003  -4.114  -3.065
  386    HA   CYS  57           HA       CYS  57   5.468  -3.457  -1.931
  387   1HB   CYS  57          1HB       CYS  57   6.127  -5.159  -4.384
  388   2HB   CYS  57          2HB       CYS  57   4.572  -4.329  -4.041
  389    H    TYR  58           H        TYR  58   4.222  -4.706  -0.677
  390    HA   TYR  58           HA       TYR  58   5.021  -7.320   0.049
  391   1HB   TYR  58          1HB       TYR  58   3.325  -5.490   1.202
  392   2HB   TYR  58          2HB       TYR  58   2.117  -6.583   0.452
  393    HD1  TYR  58           HD1      TYR  58   1.637  -8.732   1.606
  394    HD2  TYR  58           HD2      TYR  58   5.083  -6.383   2.686
  395    HE1  TYR  58           HE1      TYR  58   1.995 -10.145   3.528
  396    HE2  TYR  58           HE2      TYR  58   5.421  -7.775   4.632
  397    HH   TYR  58           HH       TYR  58   4.730  -9.696   5.814
  398    H    LYS  59           H        LYS  59   3.689  -9.166   0.021
  399    HA   LYS  59           HA       LYS  59   2.704 -10.220  -2.360
  400   1HB   LYS  59          1HB       LYS  59   2.175 -10.904   0.556
  401   2HB   LYS  59          2HB       LYS  59   1.541 -11.888  -0.799
  402   1HG   LYS  59          1HG       LYS  59   3.684 -12.572  -1.538
  403   2HG   LYS  59          2HG       LYS  59   4.553 -11.295  -0.656
  404   1HD   LYS  59          1HD       LYS  59   3.023 -13.528   0.808
  405   2HD   LYS  59          2HD       LYS  59   4.739 -13.656   0.284
  406   1HE   LYS  59          1HE       LYS  59   5.315 -11.593   1.627
  407   2HE   LYS  59          2HE       LYS  59   3.621 -11.573   2.267
  408   1HZ   LYS  59          1HZ       LYS  59   3.980 -13.718   3.212
  409   2HZ   LYS  59          2HZ       LYS  59   5.205 -12.657   3.722
  410   3HZ   LYS  59          3HZ       LYS  59   5.536 -13.827   2.536
  411    H    ALA  60           H        ALA  60   0.547 -10.881  -2.948
  412    HA   ALA  60           HA       ALA  60  -0.834  -8.501  -3.206
  413   1HB   ALA  60          1HB       ALA  60  -1.615 -11.300  -4.092
  414   2HB   ALA  60          2HB       ALA  60  -0.557 -10.157  -4.984
  415   3HB   ALA  60          3HB       ALA  60  -2.302  -9.764  -4.751
  416    H    CYS  61           H        CYS  61  -2.882  -7.906  -3.014
  417    HA   CYS  61           HA       CYS  61  -4.177  -8.755  -0.518
  418   1HB   CYS  61          1HB       CYS  61  -3.005  -6.404  -0.991
  419   2HB   CYS  61          2HB       CYS  61  -4.492  -6.003  -1.862
  420    H    HIS  62           H        HIS  62  -4.770 -10.118  -2.930
  421    HA   HIS  62           HA       HIS  62  -7.496  -9.173  -3.577
  422   1HB   HIS  62          1HB       HIS  62  -5.962 -11.565  -4.699
  423   2HB   HIS  62          2HB       HIS  62  -7.624 -11.092  -5.134
  424    HD1  HIS  62           HD1      HIS  62  -6.349 -11.108  -7.515
  425    HD2  HIS  62           HD2      HIS  62  -5.527  -7.865  -4.982
  426    HE1  HIS  62           HE1      HIS  62  -5.350  -9.295  -8.942
  427    HE2  HIS  62           HE2      HIS  62  -4.837  -7.358  -7.404
  428    H    ASN  63           H        ASN  63  -9.207 -10.014  -2.427
  429    HA   ASN  63           HA       ASN  63  -9.512 -12.528  -1.593
  430   1HB   ASN  63          1HB       ASN  63  -9.496 -12.397   0.905
  431   2HB   ASN  63          2HB       ASN  63  -7.915 -12.543   0.095
  432   1HD2  ASN  63          1HD2      ASN  63  -6.599 -10.422  -0.091
  433   2HD2  ASN  63          2HD2      ASN  63  -6.791  -9.263   1.196
  434    H    SER  64           H        SER  64 -11.148 -11.572  -2.880
  435    HA   SER  64           HA       SER  64 -13.322 -10.600  -1.071
  436   1HB   SER  64          1HB       SER  64 -12.725  -8.933  -2.857
  437   2HB   SER  64          2HB       SER  64 -13.229 -10.134  -4.094
  438    HG   SER  64           HG       SER  64 -14.820  -8.533  -3.310
  439    H    GLU  65           H        GLU  65 -13.130 -12.893  -0.574
  440    HA   GLU  65           HA       GLU  65 -13.839 -14.956  -2.213
  441   1HB   GLU  65          1HB       GLU  65 -14.161 -16.279  -0.200
  442   2HB   GLU  65          2HB       GLU  65 -12.779 -15.175  -0.035
  443   1HG   GLU  65          1HG       GLU  65 -14.782 -13.630   1.168
  444   2HG   GLU  65          2HG       GLU  65 -15.406 -15.273   1.487
  445    HE2  GLU  65           HE2      GLU  65 -13.565 -12.927   2.650
  446    H    ILE  66           H        ILE  66 -15.861 -12.624  -0.953
  447    HA   ILE  66           HA       ILE  66 -18.264 -13.590  -2.268
  448    HB   ILE  66           HB       ILE  66 -18.328 -12.981   0.751
  449   1HG1  ILE  66          1HG1      ILE  66 -18.754 -15.731  -0.526
  450   2HG1  ILE  66          2HG1      ILE  66 -17.253 -15.218   0.304
  451   1HG2  ILE  66          1HG2      ILE  66 -20.473 -14.028  -1.234
  452   2HG2  ILE  66          2HG2      ILE  66 -20.382 -12.334  -0.637
  453   3HG2  ILE  66          3HG2      ILE  66 -20.717 -13.662   0.508
  454   1HD1  ILE  66          1HD1      ILE  66 -18.584 -16.445   1.915
  455   2HD1  ILE  66          2HD1      ILE  66 -20.021 -15.401   1.629
  456   3HD1  ILE  66          3HD1      ILE  66 -18.545 -14.716   2.400
  457    H    GLU  67           H        GLU  67 -17.200 -11.306   0.357
  458    HA   GLU  67           HA       GLU  67 -17.279  -9.073  -1.394
  459   1HB   GLU  67          1HB       GLU  67 -18.464  -9.174   1.465
  460   2HB   GLU  67          2HB       GLU  67 -18.035  -7.663   0.596
  461   1HG   GLU  67          1HG       GLU  67 -19.798  -8.151  -1.147
  462   2HG   GLU  67          2HG       GLU  67 -20.255  -9.649  -0.260
  463    HE2  GLU  67           HE2      GLU  67 -22.510  -7.048   0.809
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  -1.984 -21.641   5.384
    2   2H    GLY   1          2H        GLY   1  -3.031 -20.465   4.751
    3   3H    GLY   1          3H        GLY   1  -1.770 -20.006   5.792
    4   1HA   GLY   1          1HA       GLY   1  -0.145 -20.725   4.221
    5   2HA   GLY   1          2HA       GLY   1  -1.500 -21.144   3.092
    6    H    ASP   2           H        ASP   2  -3.084 -19.270   2.751
    7    HA   ASP   2           HA       ASP   2  -2.099 -16.570   3.081
    8   1HB   ASP   2          1HB       ASP   2  -2.344 -17.909   0.297
    9   2HB   ASP   2          2HB       ASP   2  -2.478 -16.123   0.510
   10    HD2  ASP   2           HD2      ASP   2  -0.859 -15.165   1.747
   11    H    ASP   3           H        ASP   3  -3.976 -17.220   4.414
   12    HA   ASP   3           HA       ASP   3  -6.383 -16.118   3.277
   13   1HB   ASP   3          1HB       ASP   3  -7.784 -17.992   4.179
   14   2HB   ASP   3          2HB       ASP   3  -6.761 -18.473   2.785
   15    HD2  ASP   3           HD2      ASP   3  -6.557 -20.621   5.963
   16    H    VAL   4           H        VAL   4  -5.156 -14.544   4.560
   17    HA   VAL   4           HA       VAL   4  -5.736 -14.605   7.395
   18    HB   VAL   4           HB       VAL   4  -3.655 -15.780   7.143
   19   1HG1  VAL   4          1HG1      VAL   4  -2.807 -14.975   4.962
   20   2HG1  VAL   4          2HG1      VAL   4  -1.586 -14.648   6.225
   21   3HG1  VAL   4          3HG1      VAL   4  -2.602 -13.306   5.611
   22   1HG2  VAL   4          1HG2      VAL   4  -3.919 -14.237   9.127
   23   2HG2  VAL   4          2HG2      VAL   4  -3.090 -12.923   8.209
   24   3HG2  VAL   4          3HG2      VAL   4  -2.206 -14.417   8.633
   25    H    LYS   5           H        LYS   5  -5.766 -12.495   8.293
   26    HA   LYS   5           HA       LYS   5  -6.042 -10.357   6.364
   27   1HB   LYS   5          1HB       LYS   5  -6.617 -10.593   9.352
   28   2HB   LYS   5          2HB       LYS   5  -6.838  -9.067   8.445
   29   1HG   LYS   5          1HG       LYS   5  -8.306 -11.703   7.796
   30   2HG   LYS   5          2HG       LYS   5  -8.952 -10.341   8.766
   31   1HD   LYS   5          1HD       LYS   5  -9.776  -9.495   6.848
   32   2HD   LYS   5          2HD       LYS   5  -8.112  -8.981   6.492
   33   1HE   LYS   5          1HE       LYS   5  -9.005 -10.067   4.501
   34   2HE   LYS   5          2HE       LYS   5  -7.803 -11.224   5.202
   35   1HZ   LYS   5          1HZ       LYS   5 -10.745 -11.302   5.607
   36   2HZ   LYS   5          2HZ       LYS   5  -9.616 -12.411   6.215
   37   3HZ   LYS   5          3HZ       LYS   5  -9.854 -12.278   4.538
   38    H    SER   6           H        SER   6  -3.663 -11.203   6.364
   39    HA   SER   6           HA       SER   6  -1.694  -9.583   7.654
   40   1HB   SER   6          1HB       SER   6  -0.153 -10.278   5.827
   41   2HB   SER   6          2HB       SER   6  -1.096 -11.659   6.451
   42    HG   SER   6           HG       SER   6  -1.571 -10.191   4.047
   43    H    ALA   7           H        ALA   7  -0.256  -7.983   6.299
   44    HA   ALA   7           HA       ALA   7  -1.839  -5.939   5.104
   45   1HB   ALA   7          1HB       ALA   7   1.165  -6.557   4.796
   46   2HB   ALA   7          2HB       ALA   7   0.468  -5.579   6.130
   47   3HB   ALA   7          3HB       ALA   7   0.374  -4.975   4.436
   48    H    CYS   8           H        CYS   8  -1.856  -5.266   2.946
   49    HA   CYS   8           HA       CYS   8  -1.330  -7.356   0.879
   50   1HB   CYS   8          1HB       CYS   8  -3.640  -5.359   1.094
   51   2HB   CYS   8          2HB       CYS   8  -3.216  -6.220  -0.414
   52    H    CYS   9           H        CYS   9  -0.251  -6.595  -1.045
   53    HA   CYS   9           HA       CYS   9  -0.312  -3.686  -1.454
   54   1HB   CYS   9          1HB       CYS   9   1.800  -4.424  -0.173
   55   2HB   CYS   9          2HB       CYS   9   2.241  -5.358  -1.628
   56    H    ASP  10           H        ASP  10  -1.783  -4.067  -3.312
   57    HA   ASP  10           HA       ASP  10  -0.934  -6.022  -5.284
   58   1HB   ASP  10          1HB       ASP  10  -3.015  -5.006  -6.547
   59   2HB   ASP  10          2HB       ASP  10  -3.227  -6.099  -5.211
   60    HD2  ASP  10           HD2      ASP  10  -4.904  -2.615  -5.074
   61    H    THR  11           H        THR  11  -1.955  -2.664  -5.928
   62    HA   THR  11           HA       THR  11   0.153  -2.358  -7.840
   63    HB   THR  11           HB       THR  11  -1.579  -0.161  -6.620
   64    HG1  THR  11           HG1      THR  11  -2.999  -0.638  -8.300
   65   1HG2  THR  11          1HG2      THR  11  -0.434  -0.490  -9.485
   66   2HG2  THR  11          2HG2      THR  11   0.399   0.468  -8.227
   67   3HG2  THR  11          3HG2      THR  11  -1.236   0.956  -8.785
   68    H    CYS  12           H        CYS  12   2.152  -1.568  -7.571
   69    HA   CYS  12           HA       CYS  12   2.964  -0.218  -5.133
   70   1HB   CYS  12          1HB       CYS  12   2.781  -2.743  -4.731
   71   2HB   CYS  12          2HB       CYS  12   3.980  -2.961  -6.061
   72    H    LEU  13           H        LEU  13   5.063   0.600  -5.245
   73    HA   LEU  13           HA       LEU  13   6.402   0.560  -7.849
   74   1HB   LEU  13          1HB       LEU  13   4.462   2.113  -7.958
   75   2HB   LEU  13          2HB       LEU  13   5.000   2.983  -6.518
   76    HG   LEU  13           HG       LEU  13   6.968   2.712  -8.837
   77   1HD1  LEU  13          1HD1      LEU  13   4.472   4.487  -9.110
   78   2HD1  LEU  13          2HD1      LEU  13   4.811   2.970 -10.026
   79   3HD1  LEU  13          3HD1      LEU  13   5.876   4.404 -10.238
   80   1HD2  LEU  13          1HD2      LEU  13   6.091   5.191  -7.219
   81   2HD2  LEU  13          2HD2      LEU  13   7.456   5.096  -8.392
   82   3HD2  LEU  13          3HD2      LEU  13   7.533   4.164  -6.851
   83    H    CYS  14           H        CYS  14   8.449   1.412  -7.770
   84    HA   CYS  14           HA       CYS  14   9.630   1.911  -5.155
   85   1HB   CYS  14          1HB       CYS  14   9.641  -0.607  -6.615
   86   2HB   CYS  14          2HB       CYS  14  11.252   0.079  -6.824
   87    H    THR  15           H        THR  15  11.548   2.975  -5.203
   88    HA   THR  15           HA       THR  15  11.766   4.687  -7.537
   89    HB   THR  15           HB       THR  15  13.522   5.901  -6.347
   90    HG1  THR  15           HG1      THR  15  13.229   5.066  -3.920
   91   1HG2  THR  15          1HG2      THR  15  10.992   5.284  -4.639
   92   2HG2  THR  15          2HG2      THR  15  11.033   6.350  -6.085
   93   3HG2  THR  15          3HG2      THR  15  11.973   6.795  -4.616
   94    H    ARG  16           H        ARG  16  13.554   5.108  -8.865
   95    HA   ARG  16           HA       ARG  16  15.574   3.039  -9.073
   96   1HB   ARG  16          1HB       ARG  16  15.250   5.698 -10.537
   97   2HB   ARG  16          2HB       ARG  16  16.610   4.546 -10.783
   98   1HG   ARG  16          1HG       ARG  16  15.014   2.777 -11.474
   99   2HG   ARG  16          2HG       ARG  16  13.658   3.947 -11.302
  100   1HD   ARG  16          1HD       ARG  16  14.886   5.455 -13.038
  101   2HD   ARG  16          2HD       ARG  16  16.046   4.089 -13.275
  102    HE   ARG  16           HE       ARG  16  14.353   2.824 -14.326
  103   1HH1  ARG  16          1HH1      ARG  16  12.963   5.839 -13.007
  104   2HH1  ARG  16          2HH1      ARG  16  11.390   5.558 -13.690
  105   1HH2  ARG  16          1HH2      ARG  16  12.251   2.470 -15.201
  106   2HH2  ARG  16          2HH2      ARG  16  10.975   3.616 -14.935
  107    H    SER  17           H        SER  17  17.034   3.034  -7.425
  108    HA   SER  17           HA       SER  17  18.583   5.254  -6.656
  109   1HB   SER  17          1HB       SER  17  16.235   5.849  -5.641
  110   2HB   SER  17          2HB       SER  17  16.454   4.433  -4.574
  111    HG   SER  17           HG       SER  17  17.147   6.505  -3.702
  112    H    GLN  18           H        GLN  18  18.891   4.428  -3.984
  113    HA   GLN  18           HA       GLN  18  19.951   1.694  -4.130
  114   1HB   GLN  18          1HB       GLN  18  21.540   3.173  -5.335
  115   2HB   GLN  18          2HB       GLN  18  21.557   4.297  -3.950
  116   1HG   GLN  18          1HG       GLN  18  22.621   2.477  -2.504
  117   2HG   GLN  18          2HG       GLN  18  22.631   1.371  -3.927
  118   1HE2  GLN  18          1HE2      GLN  18  23.893   2.156  -5.854
  119   2HE2  GLN  18          2HE2      GLN  18  25.294   3.172  -5.563
  120    HA   PRO  19           HA       PRO  19  18.999   0.292  -2.964
  121   1HB   PRO  19          1HB       PRO  19  17.379  -0.728  -0.988
  122   2HB   PRO  19          2HB       PRO  19  19.203  -0.798  -0.850
  123   1HG   PRO  19          1HG       PRO  19  17.324   1.322   0.344
  124   2HG   PRO  19          2HG       PRO  19  18.559   0.337   1.226
  125   1HD   PRO  19          1HD       PRO  19  19.062   2.884   0.244
  126   2HD   PRO  19          2HD       PRO  19  20.363   1.609   0.249
  127    HA   PRO  20           HA       PRO  20  15.220   2.241  -4.294
  128   1HB   PRO  20          1HB       PRO  20  13.618   0.168  -5.165
  129   2HB   PRO  20          2HB       PRO  20  15.143   0.651  -5.999
  130   1HG   PRO  20          1HG       PRO  20  14.813  -1.590  -3.937
  131   2HG   PRO  20          2HG       PRO  20  15.563  -1.691  -5.588
  132   1HD   PRO  20          1HD       PRO  20  17.086  -1.309  -3.319
  133   2HD   PRO  20          2HD       PRO  20  17.489  -0.424  -4.871
  134    H    THR  21           H        THR  21  13.824   3.251  -3.038
  135    HA   THR  21           HA       THR  21  12.611   2.010  -0.688
  136    HB   THR  21           HB       THR  21  11.405   4.354  -0.635
  137    HG1  THR  21           HG1      THR  21  12.648   5.929  -1.557
  138   1HG2  THR  21          1HG2      THR  21  14.448   4.059  -0.187
  139   2HG2  THR  21          2HG2      THR  21  13.156   3.513   0.955
  140   3HG2  THR  21          3HG2      THR  21  13.359   5.265   0.600
  141    H    CYS  22           H        CYS  22  10.294   1.873  -0.369
  142    HA   CYS  22           HA       CYS  22   8.868   1.628  -2.960
  143   1HB   CYS  22          1HB       CYS  22  10.213  -0.543  -1.580
  144   2HB   CYS  22          2HB       CYS  22   8.490  -0.800  -1.345
  145    H    ARG  23           H        ARG  23   6.698   0.975  -2.797
  146    HA   ARG  23           HA       ARG  23   5.228   1.902  -0.483
  147   1HB   ARG  23          1HB       ARG  23   6.580   3.893  -1.428
  148   2HB   ARG  23          2HB       ARG  23   5.704   3.664  -2.962
  149   1HG   ARG  23          1HG       ARG  23   3.551   4.187  -1.778
  150   2HG   ARG  23          2HG       ARG  23   4.470   4.460  -0.242
  151   1HD   ARG  23          1HD       ARG  23   5.753   6.313  -1.379
  152   2HD   ARG  23          2HD       ARG  23   4.823   5.963  -2.915
  153    HE   ARG  23           HE       ARG  23   3.087   6.439  -0.600
  154   1HH1  ARG  23          1HH1      ARG  23   5.020   8.125  -3.095
  155   2HH1  ARG  23          2HH1      ARG  23   4.053   9.553  -3.065
  156   1HH2  ARG  23          1HH2      ARG  23   1.783   8.223  -0.635
  157   2HH2  ARG  23          2HH2      ARG  23   2.119   9.627  -1.607
  158    H    CYS  24           H        CYS  24   3.213   1.246  -0.696
  159    HA   CYS  24           HA       CYS  24   2.191   0.188  -3.233
  160   1HB   CYS  24          1HB       CYS  24   0.732   0.438  -0.550
  161   2HB   CYS  24          2HB       CYS  24   0.293  -0.645  -1.916
  162    H    VAL  25           H        VAL  25   0.150   1.038  -4.011
  163    HA   VAL  25           HA       VAL  25  -0.474   3.867  -3.677
  164    HB   VAL  25           HB       VAL  25   0.382   4.214  -6.050
  165   1HG1  VAL  25          1HG1      VAL  25   2.756   4.496  -5.640
  166   2HG1  VAL  25          2HG1      VAL  25   2.753   3.343  -4.286
  167   3HG1  VAL  25          3HG1      VAL  25   1.894   4.932  -4.103
  168   1HG2  VAL  25          1HG2      VAL  25   2.055   2.550  -6.956
  169   2HG2  VAL  25          2HG2      VAL  25   0.430   1.810  -6.757
  170   3HG2  VAL  25          3HG2      VAL  25   1.719   1.473  -5.550
  171    H    ASP  26           H        ASP  26  -1.947   1.597  -3.411
  172    HA   ASP  26           HA       ASP  26  -4.057   2.359  -5.236
  173   1HB   ASP  26          1HB       ASP  26  -3.632  -0.026  -5.781
  174   2HB   ASP  26          2HB       ASP  26  -3.506  -0.428  -4.026
  175    HD2  ASP  26           HD2      ASP  26  -7.233   0.585  -4.941
  176    H    VAL  27           H        VAL  27  -5.710   3.226  -3.964
  177    HA   VAL  27           HA       VAL  27  -5.086   3.568  -1.151
  178    HB   VAL  27           HB       VAL  27  -6.631   5.232  -1.002
  179   1HG1  VAL  27          1HG1      VAL  27  -5.818   6.806  -2.663
  180   2HG1  VAL  27          2HG1      VAL  27  -5.501   5.498  -3.862
  181   3HG1  VAL  27          3HG1      VAL  27  -4.501   5.610  -2.369
  182   1HG2  VAL  27          1HG2      VAL  27  -7.794   4.188  -3.664
  183   2HG2  VAL  27          2HG2      VAL  27  -8.173   5.815  -2.985
  184   3HG2  VAL  27          3HG2      VAL  27  -8.623   4.333  -2.059
  185    H    ARG  28           H        ARG  28  -6.202   2.875   0.555
  186    HA   ARG  28           HA       ARG  28  -8.266   0.798  -0.033
  187   1HB   ARG  28          1HB       ARG  28  -6.008   0.909   2.006
  188   2HB   ARG  28          2HB       ARG  28  -7.431  -0.176   2.239
  189   1HG   ARG  28          1HG       ARG  28  -5.672  -1.493   1.376
  190   2HG   ARG  28          2HG       ARG  28  -6.963  -1.354   0.122
  191   1HD   ARG  28          1HD       ARG  28  -5.624   0.217  -1.190
  192   2HD   ARG  28          2HD       ARG  28  -4.368   0.345   0.097
  193    HE   ARG  28           HE       ARG  28  -4.903  -1.904  -1.810
  194   1HH1  ARG  28          1HH1      ARG  28  -3.085  -0.792   1.068
  195   2HH1  ARG  28          2HH1      ARG  28  -1.929  -2.085   0.991
  196   1HH2  ARG  28          1HH2      ARG  28  -3.391  -3.618  -1.862
  197   2HH2  ARG  28          2HH2      ARG  28  -2.109  -3.705  -0.683
  198    H    GLU  29           H        GLU  29  -9.712   0.355   1.752
  199    HA   GLU  29           HA       GLU  29 -11.113   2.497   2.779
  200   1HB   GLU  29          1HB       GLU  29 -10.850  -0.443   3.396
  201   2HB   GLU  29          2HB       GLU  29 -11.984   0.552   4.363
  202   1HG   GLU  29          1HG       GLU  29 -13.263   1.239   2.353
  203   2HG   GLU  29          2HG       GLU  29 -12.112   0.372   1.271
  204    HE2  GLU  29           HE2      GLU  29 -14.924  -1.596   3.264
  205    H    SER  30           H        SER  30  -8.343   0.980   4.029
  206    HA   SER  30           HA       SER  30  -8.317   2.642   6.434
  207   1HB   SER  30          1HB       SER  30  -8.441  -0.456   6.499
  208   2HB   SER  30          2HB       SER  30  -7.941   0.510   7.925
  209    HG   SER  30           HG       SER  30 -10.108  -0.069   7.986
  210    H    CYS  31           H        CYS  31  -6.438   2.050   7.869
  211    HA   CYS  31           HA       CYS  31  -4.024   1.751   6.277
  212   1HB   CYS  31          1HB       CYS  31  -4.534   3.447   8.218
  213   2HB   CYS  31          2HB       CYS  31  -4.262   2.028   9.320
  214    H    HIS  32           H        HIS  32  -2.285   0.240   7.047
  215    HA   HIS  32           HA       HIS  32  -3.151  -1.882   8.842
  216   1HB   HIS  32          1HB       HIS  32  -3.071  -2.893   6.541
  217   2HB   HIS  32          2HB       HIS  32  -1.313  -2.425   6.459
  218    HD1  HIS  32           HD1      HIS  32  -3.782  -4.831   7.653
  219    HD2  HIS  32           HD2      HIS  32   0.270  -4.135   8.473
  220    HE1  HIS  32           HE1      HIS  32  -2.935  -6.839   8.850
  221    HE2  HIS  32           HE2      HIS  32  -0.458  -6.409   9.342
  222    H    SER  33           H        SER  33  -1.501  -2.459  10.211
  223    HA   SER  33           HA       SER  33   0.068  -0.474  11.146
  224   1HB   SER  33          1HB       SER  33   0.507  -3.493  11.605
  225   2HB   SER  33          2HB       SER  33   1.005  -2.178  12.734
  226    HG   SER  33           HG       SER  33  -0.865  -2.720  13.530
  227    H    ALA  34           H        ALA  34   0.981  -1.910   8.361
  228    HA   ALA  34           HA       ALA  34   3.828  -2.013   8.790
  229   1HB   ALA  34          1HB       ALA  34   3.834  -2.671   6.353
  230   2HB   ALA  34          2HB       ALA  34   2.064  -2.311   6.268
  231   3HB   ALA  34          3HB       ALA  34   2.667  -3.672   7.280
  232    H    CYS  35           H        CYS  35   1.544   0.401   8.153
  233    HA   CYS  35           HA       CYS  35   3.390   2.071   6.584
  234   1HB   CYS  35          1HB       CYS  35   1.091   1.685   5.671
  235   2HB   CYS  35          2HB       CYS  35   0.408   2.380   7.208
  236    H    ASP  36           H        ASP  36   4.101   4.082   7.359
  237    HA   ASP  36           HA       ASP  36   3.770   4.547  10.204
  238   1HB   ASP  36          1HB       ASP  36   5.995   4.698   8.988
  239   2HB   ASP  36          2HB       ASP  36   5.386   6.112   8.097
  240    HD2  ASP  36           HD2      ASP  36   5.748   8.242  10.713
  241    H    LYS  37           H        LYS  37   2.907   6.354   7.166
  242    HA   LYS  37           HA       LYS  37   1.186   8.081   8.794
  243   1HB   LYS  37          1HB       LYS  37   3.402   9.127   7.935
  244   2HB   LYS  37          2HB       LYS  37   2.777   8.875   6.304
  245   1HG   LYS  37          1HG       LYS  37   2.199  11.111   6.774
  246   2HG   LYS  37          2HG       LYS  37   0.666  10.234   7.073
  247   1HD   LYS  37          1HD       LYS  37   1.173  10.246   9.566
  248   2HD   LYS  37          2HD       LYS  37   2.740  11.029   9.216
  249   1HE   LYS  37          1HE       LYS  37   1.226  12.758   9.997
  250   2HE   LYS  37          2HE       LYS  37   1.471  13.033   8.229
  251   1HZ   LYS  37          1HZ       LYS  37  -0.821  11.619   9.489
  252   2HZ   LYS  37          2HZ       LYS  37  -0.616  11.921   7.826
  253   3HZ   LYS  37          3HZ       LYS  37  -0.819  13.215   8.906
  254    H    CYS  38           H        CYS  38  -0.670   6.891   8.387
  255    HA   CYS  38           HA       CYS  38  -1.568   6.539   5.629
  256   1HB   CYS  38          1HB       CYS  38  -2.360   5.703   8.408
  257   2HB   CYS  38          2HB       CYS  38  -3.676   5.732   7.183
  258    H    VAL  39           H        VAL  39  -2.334   8.353   4.587
  259    HA   VAL  39           HA       VAL  39  -3.987  10.207   6.161
  260    HB   VAL  39           HB       VAL  39  -2.592  10.378   3.486
  261   1HG1  VAL  39          1HG1      VAL  39  -4.168  12.435   5.155
  262   2HG1  VAL  39          2HG1      VAL  39  -4.587  11.828   3.494
  263   3HG1  VAL  39          3HG1      VAL  39  -3.109  12.831   3.747
  264   1HG2  VAL  39          1HG2      VAL  39  -1.987  11.568   6.271
  265   2HG2  VAL  39          2HG2      VAL  39  -1.154  12.053   4.755
  266   3HG2  VAL  39          3HG2      VAL  39  -0.968  10.365   5.380
  267    H    CYS  40           H        CYS  40  -6.098   9.380   6.086
  268    HA   CYS  40           HA       CYS  40  -7.098   8.297   3.580
  269   1HB   CYS  40          1HB       CYS  40  -8.417   8.564   6.272
  270   2HB   CYS  40          2HB       CYS  40  -9.032   7.651   4.888
  271    H    ALA  41           H        ALA  41  -7.898   9.579   2.109
  272    HA   ALA  41           HA       ALA  41  -9.175  12.068   2.841
  273   1HB   ALA  41          1HB       ALA  41  -9.914  12.326   0.579
  274   2HB   ALA  41          2HB       ALA  41  -9.507  10.612   0.187
  275   3HB   ALA  41          3HB       ALA  41  -8.196  11.788   0.575
  276    H    TYR  42           H        TYR  42 -11.389  12.583   2.705
  277    HA   TYR  42           HA       TYR  42 -12.814  10.803   4.317
  278   1HB   TYR  42          1HB       TYR  42 -14.377  12.839   4.487
  279   2HB   TYR  42          2HB       TYR  42 -12.648  13.047   4.944
  280    HD1  TYR  42           HD1      TYR  42 -15.021  13.480   2.028
  281    HD2  TYR  42           HD2      TYR  42 -11.309  14.694   3.859
  282    HE1  TYR  42           HE1      TYR  42 -14.790  15.288   0.385
  283    HE2  TYR  42           HE2      TYR  42 -11.090  16.491   2.225
  284    HH   TYR  42           HH       TYR  42 -13.621  17.080  -0.279
  285    H    SER  43           H        SER  43 -12.675  10.604   1.319
  286    HA   SER  43           HA       SER  43 -15.031  10.709  -0.046
  287   1HB   SER  43          1HB       SER  43 -12.636   8.807  -0.339
  288   2HB   SER  43          2HB       SER  43 -13.779   9.202  -1.675
  289    HG   SER  43           HG       SER  43 -11.898  10.467  -1.759
  290    H    ASN  44           H        ASN  44 -15.422   8.384  -1.437
  291    HA   ASN  44           HA       ASN  44 -16.444   6.385   0.418
  292   1HB   ASN  44          1HB       ASN  44 -18.106   8.168  -0.153
  293   2HB   ASN  44          2HB       ASN  44 -17.889   7.835  -1.879
  294   1HD2  ASN  44          1HD2      ASN  44 -18.545   5.509  -2.609
  295   2HD2  ASN  44          2HD2      ASN  44 -19.833   4.767  -1.736
  296    HA   PRO  45           HA       PRO  45 -15.607   4.597   0.775
  297   1HB   PRO  45          1HB       PRO  45 -13.600   2.688   0.516
  298   2HB   PRO  45          2HB       PRO  45 -15.295   2.326   0.169
  299   1HG   PRO  45          1HG       PRO  45 -13.146   3.188  -1.852
  300   2HG   PRO  45          2HG       PRO  45 -14.210   1.737  -1.949
  301   1HD   PRO  45          1HD       PRO  45 -14.885   4.045  -3.250
  302   2HD   PRO  45          2HD       PRO  45 -16.174   3.111  -2.379
  303    HA   PRO  46           HA       PRO  46 -12.443   7.434   1.513
  304   1HB   PRO  46          1HB       PRO  46 -11.180   6.711   3.854
  305   2HB   PRO  46          2HB       PRO  46 -12.930   7.190   3.795
  306   1HG   PRO  46          1HG       PRO  46 -11.789   4.361   3.701
  307   2HG   PRO  46          2HG       PRO  46 -13.046   5.029   4.833
  308   1HD   PRO  46          1HD       PRO  46 -13.715   3.652   2.537
  309   2HD   PRO  46          2HD       PRO  46 -14.686   5.169   3.058
  310    H    GLN  47           H        GLN  47 -10.155   7.974   1.434
  311    HA   GLN  47           HA       GLN  47  -8.805   5.846  -0.146
  312   1HB   GLN  47          1HB       GLN  47  -8.662   8.877  -0.546
  313   2HB   GLN  47          2HB       GLN  47  -7.839   7.628  -1.526
  314   1HG   GLN  47          1HG       GLN  47 -10.060   6.740  -2.315
  315   2HG   GLN  47          2HG       GLN  47 -10.916   7.878  -1.232
  316   1HE2  GLN  47          1HE2      GLN  47  -8.274   8.200  -3.766
  317   2HE2  GLN  47          2HE2      GLN  47  -9.059   9.504  -4.577
  318    H    CYS  48           H        CYS  48  -7.760   5.002   1.611
  319    HA   CYS  48           HA       CYS  48  -5.877   6.704   3.045
  320   1HB   CYS  48          1HB       CYS  48  -6.277   3.711   3.293
  321   2HB   CYS  48          2HB       CYS  48  -5.294   4.783   4.367
  322    H    GLN  49           H        GLN  49  -4.073   7.322   2.233
  323    HA   GLN  49           HA       GLN  49  -2.527   5.447   0.590
  324   1HB   GLN  49          1HB       GLN  49  -2.684   8.486   0.778
  325   2HB   GLN  49          2HB       GLN  49  -1.217   7.688   0.078
  326   1HG   GLN  49          1HG       GLN  49  -2.727   6.461  -1.567
  327   2HG   GLN  49          2HG       GLN  49  -4.099   7.498  -1.010
  328   1HE2  GLN  49          1HE2      GLN  49  -3.348   9.963  -0.929
  329   2HE2  GLN  49          2HE2      GLN  49  -2.497  10.514  -2.367
  330    H    CYS  50           H        CYS  50  -0.461   5.042   1.078
  331    HA   CYS  50           HA       CYS  50   0.444   5.793   3.780
  332   1HB   CYS  50          1HB       CYS  50   0.481   3.314   2.932
  333   2HB   CYS  50          2HB       CYS  50   1.774   3.827   1.809
  334    H    TYR  51           H        TYR  51   1.038   7.842   3.599
  335    HA   TYR  51           HA       TYR  51   2.491   8.960   1.480
  336   1HB   TYR  51          1HB       TYR  51   1.608   9.891   4.209
  337   2HB   TYR  51          2HB       TYR  51   3.040  10.735   3.546
  338    HD1  TYR  51           HD1      TYR  51   2.878  12.089   1.428
  339    HD2  TYR  51           HD2      TYR  51  -0.502   9.747   2.776
  340    HE1  TYR  51           HE1      TYR  51   1.524  13.064  -0.270
  341    HE2  TYR  51           HE2      TYR  51  -1.889  10.805   1.105
  342    HH   TYR  51           HH       TYR  51  -0.493  13.050  -1.346
  343    H    ASP  52           H        ASP  52   3.656   7.437   4.283
  344    HA   ASP  52           HA       ASP  52   6.447   8.161   3.603
  345   1HB   ASP  52          1HB       ASP  52   5.688   8.518   5.982
  346   2HB   ASP  52          2HB       ASP  52   5.268   6.764   6.082
  347    HD2  ASP  52           HD2      ASP  52   9.166   7.646   5.793
  348    H    THR  53           H        THR  53   7.951   6.693   2.891
  349    HA   THR  53           HA       THR  53   6.989   4.219   1.821
  350    HB   THR  53           HB       THR  53   9.344   3.736   1.165
  351    HG1  THR  53           HG1      THR  53  10.524   4.856   2.725
  352   1HG2  THR  53          1HG2      THR  53   9.486   5.577  -0.485
  353   2HG2  THR  53          2HG2      THR  53   8.365   6.596   0.477
  354   3HG2  THR  53          3HG2      THR  53   7.770   5.084  -0.286
  355    H    HIS  54           H        HIS  54   8.113   2.024   2.268
  356    HA   HIS  54           HA       HIS  54   9.130   1.883   4.944
  357   1HB   HIS  54          1HB       HIS  54   6.613   1.971   5.313
  358   2HB   HIS  54          2HB       HIS  54   6.484   0.351   4.578
  359    HD1  HIS  54           HD1      HIS  54   7.456   2.350   7.483
  360    HD2  HIS  54           HD2      HIS  54   7.794  -1.703   6.467
  361    HE1  HIS  54           HE1      HIS  54   8.034   1.121   9.576
  362    HE2  HIS  54           HE2      HIS  54   8.235  -1.344   8.936
  363    H    LYS  55           H        LYS  55   7.595  -0.715   2.954
  364    HA   LYS  55           HA       LYS  55  10.040  -2.206   3.512
  365   1HB   LYS  55          1HB       LYS  55   8.632  -4.147   3.815
  366   2HB   LYS  55          2HB       LYS  55   7.973  -2.796   4.737
  367   1HG   LYS  55          1HG       LYS  55   6.421  -2.469   2.552
  368   2HG   LYS  55          2HG       LYS  55   6.814  -4.197   2.321
  369   1HD   LYS  55          1HD       LYS  55   5.609  -2.989   4.911
  370   2HD   LYS  55          2HD       LYS  55   4.662  -3.689   3.562
  371   1HE   LYS  55          1HE       LYS  55   4.735  -5.367   5.243
  372   2HE   LYS  55          2HE       LYS  55   5.843  -5.928   3.932
  373   1HZ   LYS  55          1HZ       LYS  55   7.705  -5.236   5.256
  374   2HZ   LYS  55          2HZ       LYS  55   6.701  -6.233   6.191
  375   3HZ   LYS  55          3HZ       LYS  55   6.696  -4.556   6.437
  376    H    PHE  56           H        PHE  56   8.998  -4.374   1.714
  377    HA   PHE  56           HA       PHE  56   9.763  -3.231  -0.883
  378   1HB   PHE  56          1HB       PHE  56  10.106  -5.664  -1.526
  379   2HB   PHE  56          2HB       PHE  56  11.172  -5.088  -0.226
  380    HD1  PHE  56           HD1      PHE  56  10.831  -5.849   2.130
  381    HD2  PHE  56           HD2      PHE  56   8.394  -7.354  -1.083
  382    HE1  PHE  56           HE1      PHE  56  10.139  -7.720   3.539
  383    HE2  PHE  56           HE2      PHE  56   7.683  -9.225   0.341
  384    HZ   PHE  56           HZ       PHE  56   8.552  -9.430   2.661
  385    H    CYS  57           H        CYS  57   8.428  -4.776  -2.746
  386    HA   CYS  57           HA       CYS  57   5.628  -4.158  -2.228
  387   1HB   CYS  57          1HB       CYS  57   7.001  -5.512  -4.576
  388   2HB   CYS  57          2HB       CYS  57   5.247  -5.152  -4.490
  389    H    TYR  58           H        TYR  58   4.712  -5.287  -0.785
  390    HA   TYR  58           HA       TYR  58   5.256  -7.955  -0.084
  391   1HB   TYR  58          1HB       TYR  58   3.993  -5.924   1.211
  392   2HB   TYR  58          2HB       TYR  58   2.545  -6.666   0.480
  393    HD1  TYR  58           HD1      TYR  58   1.382  -7.826   2.170
  394    HD2  TYR  58           HD2      TYR  58   5.699  -7.954   2.223
  395    HE1  TYR  58           HE1      TYR  58   1.311  -9.304   4.060
  396    HE2  TYR  58           HE2      TYR  58   5.616  -9.435   4.144
  397    HH   TYR  58           HH       TYR  58   4.260 -10.605   5.620
  398    H    LYS  59           H        LYS  59   3.106  -9.367   0.251
  399    HA   LYS  59           HA       LYS  59   2.412 -10.581  -2.147
  400   1HB   LYS  59          1HB       LYS  59   1.057 -10.635   0.546
  401   2HB   LYS  59          2HB       LYS  59   0.527 -11.612  -0.880
  402   1HG   LYS  59          1HG       LYS  59   2.723 -12.675  -1.069
  403   2HG   LYS  59          2HG       LYS  59   3.395 -11.724   0.286
  404   1HD   LYS  59          1HD       LYS  59   1.955 -12.778   1.912
  405   2HD   LYS  59          2HD       LYS  59   0.946 -13.546   0.641
  406   1HE   LYS  59          1HE       LYS  59   3.952 -14.153   1.030
  407   2HE   LYS  59          2HE       LYS  59   2.611 -15.130   1.769
  408   1HZ   LYS  59          1HZ       LYS  59   1.776 -15.571  -0.421
  409   2HZ   LYS  59          2HZ       LYS  59   3.396 -16.067  -0.286
  410   3HZ   LYS  59          3HZ       LYS  59   3.012 -14.649  -1.134
  411    H    ALA  60           H        ALA  60   0.865 -10.464  -3.626
  412    HA   ALA  60           HA       ALA  60  -0.639  -8.016  -3.761
  413   1HB   ALA  60          1HB       ALA  60   0.589  -8.869  -5.761
  414   2HB   ALA  60          2HB       ALA  60  -1.191  -8.853  -6.067
  415   3HB   ALA  60          3HB       ALA  60  -0.342 -10.404  -5.665
  416    H    CYS  61           H        CYS  61  -2.760  -7.809  -3.472
  417    HA   CYS  61           HA       CYS  61  -4.411 -10.180  -2.958
  418   1HB   CYS  61          1HB       CYS  61  -4.485  -7.360  -1.792
  419   2HB   CYS  61          2HB       CYS  61  -5.729  -8.614  -1.457
  420    H    HIS  62           H        HIS  62  -6.749  -9.516  -3.157
  421    HA   HIS  62           HA       HIS  62  -7.139  -7.830  -5.586
  422   1HB   HIS  62          1HB       HIS  62  -8.555 -10.401  -4.696
  423   2HB   HIS  62          2HB       HIS  62  -9.101  -9.390  -6.063
  424    HD1  HIS  62           HD1      HIS  62  -7.367  -9.102  -8.035
  425    HD2  HIS  62           HD2      HIS  62  -6.246 -11.971  -5.212
  426    HE1  HIS  62           HE1      HIS  62  -5.438 -10.368  -9.023
  427    HE2  HIS  62           HE2      HIS  62  -4.746 -12.095  -7.284
  428    H    ASN  63           H        ASN  63  -9.128  -6.510  -5.525
  429    HA   ASN  63           HA       ASN  63 -10.962  -6.495  -3.550
  430   1HB   ASN  63          1HB       ASN  63 -10.263  -4.230  -2.437
  431   2HB   ASN  63          2HB       ASN  63  -9.598  -5.753  -1.798
  432   1HD2  ASN  63          1HD2      ASN  63  -7.220  -6.153  -2.125
  433   2HD2  ASN  63          2HD2      ASN  63  -6.213  -4.834  -2.631
  434    H    SER  64           H        SER  64  -9.236  -3.710  -4.715
  435    HA   SER  64           HA       SER  64 -11.433  -3.067  -6.617
  436   1HB   SER  64          1HB       SER  64 -11.151  -1.563  -4.600
  437   2HB   SER  64          2HB       SER  64  -9.499  -1.159  -5.157
  438    HG   SER  64           HG       SER  64 -10.365  -0.026  -6.843
  439    H    GLU  65           H        GLU  65  -9.758  -4.792  -7.743
  440    HA   GLU  65           HA       GLU  65  -7.660  -3.614  -9.221
  441   1HB   GLU  65          1HB       GLU  65  -7.956  -5.467 -10.835
  442   2HB   GLU  65          2HB       GLU  65  -7.688  -5.974  -9.155
  443   1HG   GLU  65          1HG       GLU  65 -10.547  -5.875 -10.320
  444   2HG   GLU  65          2HG       GLU  65  -9.455  -7.264 -10.585
  445    HE2  GLU  65           HE2      GLU  65 -11.390  -6.973  -7.223
  446    H    ILE  66           H        ILE  66 -11.053  -3.413  -9.468
  447    HA   ILE  66           HA       ILE  66 -11.000  -1.379 -11.469
  448    HB   ILE  66           HB       ILE  66 -12.805  -2.410 -12.810
  449   1HG1  ILE  66          1HG1      ILE  66 -12.098  -5.106 -11.506
  450   2HG1  ILE  66          2HG1      ILE  66 -13.543  -4.139 -11.077
  451   1HG2  ILE  66          1HG2      ILE  66 -11.360  -3.762 -14.233
  452   2HG2  ILE  66          2HG2      ILE  66 -10.239  -4.115 -12.878
  453   3HG2  ILE  66          3HG2      ILE  66 -10.379  -2.429 -13.523
  454   1HD1  ILE  66          1HD1      ILE  66 -12.928  -5.317 -13.862
  455   2HD1  ILE  66          2HD1      ILE  66 -14.324  -4.244 -13.470
  456   3HD1  ILE  66          3HD1      ILE  66 -14.177  -5.866 -12.693
  457    H    GLU  67           H        GLU  67 -13.297  -0.501 -11.657
  458    HA   GLU  67           HA       GLU  67 -14.364  -0.343  -8.952
  459   1HB   GLU  67          1HB       GLU  67 -14.793   1.210 -11.544
  460   2HB   GLU  67          2HB       GLU  67 -15.635   1.616 -10.008
  461   1HG   GLU  67          1HG       GLU  67 -13.614   2.326  -8.910
  462   2HG   GLU  67          2HG       GLU  67 -12.564   1.440 -10.067
  463    HE2  GLU  67           HE2      GLU  67 -11.991   4.227 -11.797
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  -3.965 -18.160   1.051
    2   2H    GLY   1          2H        GLY   1  -5.484 -18.155   1.810
    3   3H    GLY   1          3H        GLY   1  -4.250 -19.161   2.390
    4   1HA   GLY   1          1HA       GLY   1  -4.557 -17.289   3.798
    5   2HA   GLY   1          2HA       GLY   1  -2.942 -17.264   2.983
    6    H    ASP   2           H        ASP   2  -5.674 -15.474   3.760
    7    HA   ASP   2           HA       ASP   2  -4.806 -13.135   2.219
    8   1HB   ASP   2          1HB       ASP   2  -7.563 -14.554   1.909
    9   2HB   ASP   2          2HB       ASP   2  -7.317 -12.834   1.460
   10    HD2  ASP   2           HD2      ASP   2  -6.760 -15.319  -1.301
   11    H    ASP   3           H        ASP   3  -4.748 -13.962   4.914
   12    HA   ASP   3           HA       ASP   3  -6.381 -12.116   6.390
   13   1HB   ASP   3          1HB       ASP   3  -7.491 -13.946   7.729
   14   2HB   ASP   3          2HB       ASP   3  -8.098 -13.812   6.057
   15    HD2  ASP   3           HD2      ASP   3  -7.128 -17.299   7.100
   16    H    VAL   4           H        VAL   4  -4.010 -11.637   6.516
   17    HA   VAL   4           HA       VAL   4  -3.076 -12.667   9.017
   18    HB   VAL   4           HB       VAL   4  -2.053 -14.154   7.396
   19   1HG1  VAL   4          1HG1      VAL   4  -1.924 -12.735   5.381
   20   2HG1  VAL   4          2HG1      VAL   4  -0.271 -13.276   5.823
   21   3HG1  VAL   4          3HG1      VAL   4  -0.789 -11.597   6.187
   22   1HG2  VAL   4          1HG2      VAL   4   0.278 -13.937   8.199
   23   2HG2  VAL   4          2HG2      VAL   4  -0.877 -13.609   9.535
   24   3HG2  VAL   4          3HG2      VAL   4  -0.003 -12.254   8.728
   25    H    LYS   5           H        LYS   5  -1.999 -11.109  10.183
   26    HA   LYS   5           HA       LYS   5  -2.599  -8.456   9.395
   27   1HB   LYS   5          1HB       LYS   5  -2.897  -9.479  11.661
   28   2HB   LYS   5          2HB       LYS   5  -1.112  -9.523  11.849
   29   1HG   LYS   5          1HG       LYS   5  -0.937  -7.165  11.927
   30   2HG   LYS   5          2HG       LYS   5  -2.634  -6.900  11.363
   31   1HD   LYS   5          1HD       LYS   5  -1.942  -8.353  13.989
   32   2HD   LYS   5          2HD       LYS   5  -2.165  -6.571  13.899
   33   1HE   LYS   5          1HE       LYS   5  -4.501  -6.830  13.111
   34   2HE   LYS   5          2HE       LYS   5  -4.327  -8.629  13.085
   35   1HZ   LYS   5          1HZ       LYS   5  -4.072  -6.897  15.482
   36   2HZ   LYS   5          2HZ       LYS   5  -3.942  -8.587  15.441
   37   3HZ   LYS   5          3HZ       LYS   5  -5.419  -7.843  15.055
   38    H    SER   6           H        SER   6  -0.143 -10.291   8.504
   39    HA   SER   6           HA       SER   6   2.154  -8.634   8.343
   40   1HB   SER   6          1HB       SER   6   1.066 -10.613   6.251
   41   2HB   SER   6          2HB       SER   6   2.731  -9.959   6.259
   42    HG   SER   6           HG       SER   6   2.821 -11.873   7.105
   43    H    ALA   7           H        ALA   7   2.943  -7.742   6.116
   44    HA   ALA   7           HA       ALA   7   1.135  -5.812   5.146
   45   1HB   ALA   7          1HB       ALA   7   3.478  -5.355   5.100
   46   2HB   ALA   7          2HB       ALA   7   2.965  -5.605   3.375
   47   3HB   ALA   7          3HB       ALA   7   3.808  -6.908   4.254
   48    H    CYS   8           H        CYS   8  -0.235  -5.664   3.581
   49    HA   CYS   8           HA       CYS   8  -0.282  -7.681   1.438
   50   1HB   CYS   8          1HB       CYS   8  -2.580  -7.347   1.132
   51   2HB   CYS   8          2HB       CYS   8  -2.422  -7.496   2.901
   52    H    CYS   9           H        CYS   9  -0.388  -6.817  -0.757
   53    HA   CYS   9           HA       CYS   9  -0.555  -3.907  -1.010
   54   1HB   CYS   9          1HB       CYS   9   1.910  -4.931  -0.652
   55   2HB   CYS   9          2HB       CYS   9   1.745  -5.465  -2.328
   56    H    ASP  10           H        ASP  10  -1.958  -3.508  -2.906
   57    HA   ASP  10           HA       ASP  10  -1.890  -5.647  -4.961
   58   1HB   ASP  10          1HB       ASP  10  -3.887  -3.487  -4.300
   59   2HB   ASP  10          2HB       ASP  10  -3.672  -3.916  -6.010
   60    HD2  ASP  10           HD2      ASP  10  -5.766  -4.552  -5.833
   61    H    THR  11           H        THR  11  -2.078  -2.056  -5.578
   62    HA   THR  11           HA       THR  11   0.008  -2.408  -7.478
   63    HB   THR  11           HB       THR  11  -1.066   0.258  -6.492
   64    HG1  THR  11           HG1      THR  11  -2.553   0.105  -7.950
   65   1HG2  THR  11          1HG2      THR  11   1.018   0.316  -7.951
   66   2HG2  THR  11          2HG2      THR  11  -0.412   0.885  -8.875
   67   3HG2  THR  11          3HG2      THR  11   0.228  -0.786  -9.130
   68    H    CYS  12           H        CYS  12   1.972  -2.793  -6.834
   69    HA   CYS  12           HA       CYS  12   3.279  -1.330  -4.708
   70   1HB   CYS  12          1HB       CYS  12   4.268  -3.259  -6.892
   71   2HB   CYS  12          2HB       CYS  12   5.294  -2.648  -5.520
   72    H    LEU  13           H        LEU  13   4.980   0.190  -4.961
   73    HA   LEU  13           HA       LEU  13   5.973   0.707  -7.654
   74   1HB   LEU  13          1HB       LEU  13   3.998   2.167  -7.314
   75   2HB   LEU  13          2HB       LEU  13   4.717   2.761  -5.787
   76    HG   LEU  13           HG       LEU  13   6.351   3.079  -8.320
   77   1HD1  LEU  13          1HD1      LEU  13   3.828   4.783  -7.810
   78   2HD1  LEU  13          2HD1      LEU  13   4.048   3.579  -9.127
   79   3HD1  LEU  13          3HD1      LEU  13   5.075   5.062  -9.073
   80   1HD2  LEU  13          1HD2      LEU  13   7.191   4.050  -6.201
   81   2HD2  LEU  13          2HD2      LEU  13   5.652   4.968  -5.966
   82   3HD2  LEU  13          3HD2      LEU  13   6.759   5.376  -7.331
   83    H    CYS  14           H        CYS  14   8.032   1.326  -7.614
   84    HA   CYS  14           HA       CYS  14   9.424   1.645  -5.060
   85   1HB   CYS  14          1HB       CYS  14   9.862  -0.438  -7.263
   86   2HB   CYS  14          2HB       CYS  14  11.073  -0.087  -6.015
   87    H    THR  15           H        THR  15  11.283   2.718  -5.131
   88    HA   THR  15           HA       THR  15  11.784   4.211  -7.597
   89    HB   THR  15           HB       THR  15  13.310   5.591  -6.311
   90    HG1  THR  15           HG1      THR  15  12.941   5.342  -3.963
   91   1HG2  THR  15          1HG2      THR  15  11.502   6.734  -5.106
   92   2HG2  THR  15          2HG2      THR  15  10.571   5.204  -4.948
   93   3HG2  THR  15          3HG2      THR  15  10.793   5.964  -6.565
   94    H    ARG  16           H        ARG  16  13.773   4.481  -8.559
   95    HA   ARG  16           HA       ARG  16  15.662   2.277  -8.353
   96   1HB   ARG  16          1HB       ARG  16  15.798   4.829 -10.064
   97   2HB   ARG  16          2HB       ARG  16  16.862   3.381 -10.189
   98   1HG   ARG  16          1HG       ARG  16  14.756   2.008 -10.713
   99   2HG   ARG  16          2HG       ARG  16  13.895   3.575 -10.896
  100   1HD   ARG  16          1HD       ARG  16  14.589   2.886 -13.116
  101   2HD   ARG  16          2HD       ARG  16  15.677   4.249 -12.654
  102    HE   ARG  16           HE       ARG  16  16.357   1.281 -12.513
  103   1HH1  ARG  16          1HH1      ARG  16  17.471   4.661 -12.922
  104   2HH1  ARG  16          2HH1      ARG  16  19.139   4.209 -13.081
  105   1HH2  ARG  16          1HH2      ARG  16  18.570   0.732 -12.704
  106   2HH2  ARG  16          2HH2      ARG  16  19.771   1.959 -12.954
  107    H    SER  17           H        SER  17  15.258   4.353  -6.177
  108    HA   SER  17           HA       SER  17  17.524   6.038  -6.044
  109   1HB   SER  17          1HB       SER  17  15.382   6.413  -4.784
  110   2HB   SER  17          2HB       SER  17  15.897   5.147  -3.623
  111    HG   SER  17           HG       SER  17  16.295   7.351  -3.056
  112    H    GLN  18           H        GLN  18  18.524   5.809  -3.566
  113    HA   GLN  18           HA       GLN  18  20.078   3.332  -3.292
  114   1HB   GLN  18          1HB       GLN  18  21.144   6.040  -4.166
  115   2HB   GLN  18          2HB       GLN  18  22.207   4.942  -3.230
  116   1HG   GLN  18          1HG       GLN  18  20.943   4.258  -5.973
  117   2HG   GLN  18          2HG       GLN  18  22.636   4.780  -5.692
  118   1HE2  GLN  18          1HE2      GLN  18  23.778   3.360  -3.855
  119   2HE2  GLN  18          2HE2      GLN  18  23.626   1.642  -4.179
  120    HA   PRO  19           HA       PRO  19  19.695   2.137  -1.611
  121   1HB   PRO  19          1HB       PRO  19  18.085   1.497   0.556
  122   2HB   PRO  19          2HB       PRO  19  19.891   1.764   0.706
  123   1HG   PRO  19          1HG       PRO  19  17.649   3.798   1.233
  124   2HG   PRO  19          2HG       PRO  19  19.026   3.351   2.319
  125   1HD   PRO  19          1HD       PRO  19  19.137   5.548   0.626
  126   2HD   PRO  19          2HD       PRO  19  20.607   4.533   0.940
  127    HA   PRO  20           HA       PRO  20  15.741   3.043  -3.588
  128   1HB   PRO  20          1HB       PRO  20  15.101   0.612  -4.709
  129   2HB   PRO  20          2HB       PRO  20  16.482   1.602  -5.316
  130   1HG   PRO  20          1HG       PRO  20  16.569  -0.704  -3.305
  131   2HG   PRO  20          2HG       PRO  20  17.558  -0.502  -4.809
  132   1HD   PRO  20          1HD       PRO  20  18.516   0.251  -2.323
  133   2HD   PRO  20          2HD       PRO  20  18.856   1.276  -3.802
  134    H    THR  21           H        THR  21  13.418   2.603  -3.427
  135    HA   THR  21           HA       THR  21  12.579   0.984  -1.163
  136    HB   THR  21           HB       THR  21  13.708   2.776   0.030
  137    HG1  THR  21           HG1      THR  21  12.176   2.911   1.448
  138   1HG2  THR  21          1HG2      THR  21  13.500   4.613  -1.627
  139   2HG2  THR  21          2HG2      THR  21  12.821   5.103  -0.056
  140   3HG2  THR  21          3HG2      THR  21  11.711   4.639  -1.402
  141    H    CYS  22           H        CYS  22  10.295   1.598  -0.494
  142    HA   CYS  22           HA       CYS  22   8.725   1.745  -2.990
  143   1HB   CYS  22          1HB       CYS  22   9.060  -0.730  -1.252
  144   2HB   CYS  22          2HB       CYS  22   7.903  -0.653  -2.583
  145    H    ARG  23           H        ARG  23   6.475   1.011  -2.683
  146    HA   ARG  23           HA       ARG  23   5.301   0.775  -0.193
  147   1HB   ARG  23          1HB       ARG  23   4.089   2.812   0.192
  148   2HB   ARG  23          2HB       ARG  23   5.752   3.351  -0.135
  149   1HG   ARG  23          1HG       ARG  23   3.923   3.343  -2.560
  150   2HG   ARG  23          2HG       ARG  23   3.482   4.416  -1.203
  151   1HD   ARG  23          1HD       ARG  23   4.820   5.704  -2.714
  152   2HD   ARG  23          2HD       ARG  23   5.820   5.372  -1.218
  153    HE   ARG  23           HE       ARG  23   6.199   3.332  -3.253
  154   1HH1  ARG  23          1HH1      ARG  23   7.097   6.701  -2.454
  155   2HH1  ARG  23          2HH1      ARG  23   8.631   6.603  -3.253
  156   1HH2  ARG  23          1HH2      ARG  23   8.148   3.254  -4.317
  157   2HH2  ARG  23          2HH2      ARG  23   9.283   4.582  -4.291
  158    H    CYS  24           H        CYS  24   2.896   0.871  -0.345
  159    HA   CYS  24           HA       CYS  24   1.989  -0.189  -2.919
  160   1HB   CYS  24          1HB       CYS  24   0.466   0.134  -0.247
  161   2HB   CYS  24          2HB       CYS  24  -0.105  -0.779  -1.685
  162    H    VAL  25           H        VAL  25   1.701   1.550  -4.298
  163    HA   VAL  25           HA       VAL  25   0.584   4.028  -3.475
  164    HB   VAL  25           HB       VAL  25   0.565   4.719  -5.774
  165   1HG1  VAL  25          1HG1      VAL  25   3.121   3.315  -4.724
  166   2HG1  VAL  25          2HG1      VAL  25   2.533   4.928  -4.218
  167   3HG1  VAL  25          3HG1      VAL  25   3.072   4.675  -5.907
  168   1HG2  VAL  25          1HG2      VAL  25   1.562   3.214  -7.504
  169   2HG2  VAL  25          2HG2      VAL  25   0.031   2.522  -6.870
  170   3HG2  VAL  25          3HG2      VAL  25   1.619   1.849  -6.333
  171    H    ASP  26           H        ASP  26  -0.702   1.177  -3.969
  172    HA   ASP  26           HA       ASP  26  -3.296   1.476  -4.894
  173   1HB   ASP  26          1HB       ASP  26  -1.926  -0.649  -4.174
  174   2HB   ASP  26          2HB       ASP  26  -2.483  -0.293  -2.495
  175    HD2  ASP  26           HD2      ASP  26  -5.105  -1.335  -5.374
  176    H    VAL  27           H        VAL  27  -5.253   2.291  -4.120
  177    HA   VAL  27           HA       VAL  27  -5.198   3.373  -1.379
  178    HB   VAL  27           HB       VAL  27  -6.764   4.519  -3.670
  179   1HG1  VAL  27          1HG1      VAL  27  -7.145   5.211  -1.224
  180   2HG1  VAL  27          2HG1      VAL  27  -6.404   6.550  -2.198
  181   3HG1  VAL  27          3HG1      VAL  27  -5.375   5.581  -1.099
  182   1HG2  VAL  27          1HG2      VAL  27  -4.793   6.183  -3.806
  183   2HG2  VAL  27          2HG2      VAL  27  -4.599   4.587  -4.644
  184   3HG2  VAL  27          3HG2      VAL  27  -3.793   4.875  -3.067
  185    H    ARG  28           H        ARG  28  -6.663   2.738  -0.022
  186    HA   ARG  28           HA       ARG  28  -9.031   1.293  -1.028
  187   1HB   ARG  28          1HB       ARG  28  -6.832   0.493   0.947
  188   2HB   ARG  28          2HB       ARG  28  -8.383  -0.404   0.846
  189   1HG   ARG  28          1HG       ARG  28  -6.230  -0.139  -1.331
  190   2HG   ARG  28          2HG       ARG  28  -6.661  -1.591  -0.367
  191   1HD   ARG  28          1HD       ARG  28  -9.107  -1.257  -1.472
  192   2HD   ARG  28          2HD       ARG  28  -8.241  -0.155  -2.589
  193    HE   ARG  28           HE       ARG  28  -7.271  -1.984  -3.648
  194   1HH1  ARG  28          1HH1      ARG  28  -8.609  -3.165  -0.497
  195   2HH1  ARG  28          2HH1      ARG  28  -8.385  -4.818  -0.936
  196   1HH2  ARG  28          1HH2      ARG  28  -7.086  -4.210  -4.154
  197   2HH2  ARG  28          2HH2      ARG  28  -7.521  -5.421  -2.990
  198    H    GLU  29           H        GLU  29 -10.369   0.517   0.937
  199    HA   GLU  29           HA       GLU  29 -11.468   2.695   2.292
  200   1HB   GLU  29          1HB       GLU  29 -11.500  -0.319   2.635
  201   2HB   GLU  29          2HB       GLU  29 -12.547   0.722   3.641
  202   1HG   GLU  29          1HG       GLU  29 -12.639   0.634   0.529
  203   2HG   GLU  29          2HG       GLU  29 -13.761  -0.230   1.630
  204    HE2  GLU  29           HE2      GLU  29 -13.546   2.348  -0.213
  205    H    SER  30           H        SER  30  -8.787   0.793   3.041
  206    HA   SER  30           HA       SER  30  -8.122   2.280   5.452
  207   1HB   SER  30          1HB       SER  30  -8.642  -0.780   5.471
  208   2HB   SER  30          2HB       SER  30  -7.641   0.012   6.734
  209    HG   SER  30           HG       SER  30  -9.335   0.906   7.604
  210    H    CYS  31           H        CYS  31  -5.892   1.411   6.288
  211    HA   CYS  31           HA       CYS  31  -4.259   0.493   3.992
  212   1HB   CYS  31          1HB       CYS  31  -3.620   1.818   6.641
  213   2HB   CYS  31          2HB       CYS  31  -2.326   1.259   5.501
  214    H    HIS  32           H        HIS  32  -2.726  -0.283   7.042
  215    HA   HIS  32           HA       HIS  32  -3.973  -2.784   7.335
  216   1HB   HIS  32          1HB       HIS  32  -2.620  -2.985   5.106
  217   2HB   HIS  32          2HB       HIS  32  -1.196  -3.175   6.112
  218    HD1  HIS  32           HD1      HIS  32  -4.337  -4.465   4.823
  219    HD2  HIS  32           HD2      HIS  32  -1.606  -5.983   7.613
  220    HE1  HIS  32           HE1      HIS  32  -4.866  -6.878   5.105
  221    HE2  HIS  32           HE2      HIS  32  -3.177  -7.804   6.791
  222    H    SER  33           H        SER  33  -0.813  -3.665   8.157
  223    HA   SER  33           HA       SER  33  -1.326  -2.620  10.829
  224   1HB   SER  33          1HB       SER  33  -0.941  -5.104  10.290
  225   2HB   SER  33          2HB       SER  33   0.768  -4.696   9.972
  226    HG   SER  33           HG       SER  33  -0.775  -4.365  12.358
  227    H    ALA  34           H        ALA  34   1.826  -3.102   9.029
  228    HA   ALA  34           HA       ALA  34   2.951  -1.154  10.779
  229   1HB   ALA  34          1HB       ALA  34   4.019  -3.368  10.257
  230   2HB   ALA  34          2HB       ALA  34   5.091  -1.997   9.817
  231   3HB   ALA  34          3HB       ALA  34   4.184  -2.864   8.533
  232    H    CYS  35           H        CYS  35   1.205  -0.145   8.706
  233    HA   CYS  35           HA       CYS  35   2.956   1.375   6.917
  234   1HB   CYS  35          1HB       CYS  35   0.811   0.510   6.094
  235   2HB   CYS  35          2HB       CYS  35  -0.066   1.528   7.311
  236    H    ASP  36           H        ASP  36   4.128   3.087   7.742
  237    HA   ASP  36           HA       ASP  36   3.474   4.333  10.140
  238   1HB   ASP  36          1HB       ASP  36   5.364   5.887   9.572
  239   2HB   ASP  36          2HB       ASP  36   5.771   4.148   9.468
  240    HD2  ASP  36           HD2      ASP  36   7.324   5.760   6.710
  241    H    LYS  37           H        LYS  37   3.212   5.628   6.848
  242    HA   LYS  37           HA       LYS  37   1.324   7.672   7.836
  243   1HB   LYS  37          1HB       LYS  37   3.488   8.569   6.957
  244   2HB   LYS  37          2HB       LYS  37   3.125   7.808   5.389
  245   1HG   LYS  37          1HG       LYS  37   1.140   9.171   5.071
  246   2HG   LYS  37          2HG       LYS  37   1.223   9.819   6.734
  247   1HD   LYS  37          1HD       LYS  37   3.230  11.099   6.247
  248   2HD   LYS  37          2HD       LYS  37   3.512  10.212   4.712
  249   1HE   LYS  37          1HE       LYS  37   1.444  11.231   3.710
  250   2HE   LYS  37          2HE       LYS  37   1.152  12.141   5.242
  251   1HZ   LYS  37          1HZ       LYS  37   3.200  13.268   4.949
  252   2HZ   LYS  37          2HZ       LYS  37   2.304  13.400   3.513
  253   3HZ   LYS  37          3HZ       LYS  37   3.618  12.324   3.600
  254    H    CYS  38           H        CYS  38  -0.364   6.104   7.740
  255    HA   CYS  38           HA       CYS  38  -1.466   5.716   5.070
  256   1HB   CYS  38          1HB       CYS  38  -1.701   3.960   6.887
  257   2HB   CYS  38          2HB       CYS  38  -2.443   5.206   7.946
  258    H    VAL  39           H        VAL  39  -2.057   7.810   4.203
  259    HA   VAL  39           HA       VAL  39  -3.468   9.577   6.044
  260    HB   VAL  39           HB       VAL  39  -3.551  11.189   4.361
  261   1HG1  VAL  39          1HG1      VAL  39  -1.166  11.507   3.954
  262   2HG1  VAL  39          2HG1      VAL  39  -0.836   9.757   4.208
  263   3HG1  VAL  39          3HG1      VAL  39  -1.354  10.785   5.614
  264   1HG2  VAL  39          1HG2      VAL  39  -4.062   9.946   2.376
  265   2HG2  VAL  39          2HG2      VAL  39  -2.493   9.028   2.510
  266   3HG2  VAL  39          3HG2      VAL  39  -2.516  10.830   2.181
  267    H    CYS  40           H        CYS  40  -5.612   8.950   6.537
  268    HA   CYS  40           HA       CYS  40  -6.937   7.305   4.547
  269   1HB   CYS  40          1HB       CYS  40  -6.572   6.918   7.114
  270   2HB   CYS  40          2HB       CYS  40  -8.117   7.789   7.252
  271    H    ALA  41           H        ALA  41  -7.627   8.528   2.947
  272    HA   ALA  41           HA       ALA  41  -8.427  11.185   3.413
  273   1HB   ALA  41          1HB       ALA  41  -8.909   9.661   0.827
  274   2HB   ALA  41          2HB       ALA  41  -7.370  10.419   1.304
  275   3HB   ALA  41          3HB       ALA  41  -8.822  11.443   1.070
  276    H    TYR  42           H        TYR  42 -10.224  12.265   3.083
  277    HA   TYR  42           HA       TYR  42 -12.344  11.349   4.629
  278   1HB   TYR  42          1HB       TYR  42 -12.873  13.921   4.345
  279   2HB   TYR  42          2HB       TYR  42 -11.218  13.515   4.930
  280    HD1  TYR  42           HD1      TYR  42 -13.152  14.521   1.882
  281    HD2  TYR  42           HD2      TYR  42  -9.212  14.030   3.576
  282    HE1  TYR  42           HE1      TYR  42 -12.163  15.526  -0.109
  283    HE2  TYR  42           HE2      TYR  42  -8.235  14.919   1.496
  284    HH   TYR  42           HH       TYR  42 -10.236  15.777  -1.329
  285    H    SER  43           H        SER  43 -11.807  11.265   1.500
  286    HA   SER  43           HA       SER  43 -13.899  12.201   0.047
  287   1HB   SER  43          1HB       SER  43 -12.061   9.810  -0.562
  288   2HB   SER  43          2HB       SER  43 -13.022  10.788  -1.779
  289    HG   SER  43           HG       SER  43 -10.634  11.356  -1.211
  290    H    ASN  44           H        ASN  44 -15.216  11.052  -1.446
  291    HA   ASN  44           HA       ASN  44 -16.942   9.163  -0.075
  292   1HB   ASN  44          1HB       ASN  44 -17.699  11.355  -1.172
  293   2HB   ASN  44          2HB       ASN  44 -17.455  10.573  -2.746
  294   1HD2  ASN  44          1HD2      ASN  44 -19.552  10.630   0.187
  295   2HD2  ASN  44          2HD2      ASN  44 -20.588   9.365  -0.315
  296    HA   PRO  45           HA       PRO  45 -16.507   7.296   0.641
  297   1HB   PRO  45          1HB       PRO  45 -15.588   4.509  -0.187
  298   2HB   PRO  45          2HB       PRO  45 -16.844   4.918   0.990
  299   1HG   PRO  45          1HG       PRO  45 -17.623   4.054  -1.461
  300   2HG   PRO  45          2HG       PRO  45 -18.406   5.540  -0.814
  301   1HD   PRO  45          1HD       PRO  45 -15.945   5.435  -2.689
  302   2HD   PRO  45          2HD       PRO  45 -17.526   6.314  -2.949
  303    HA   PRO  46           HA       PRO  46 -12.488   7.863   1.818
  304   1HB   PRO  46          1HB       PRO  46 -12.414   5.286   3.483
  305   2HB   PRO  46          2HB       PRO  46 -11.773   6.914   3.952
  306   1HG   PRO  46          1HG       PRO  46 -14.245   6.290   4.823
  307   2HG   PRO  46          2HG       PRO  46 -14.020   7.871   3.939
  308   1HD   PRO  46          1HD       PRO  46 -15.077   5.211   2.791
  309   2HD   PRO  46          2HD       PRO  46 -15.751   6.952   2.642
  310    H    GLN  47           H        GLN  47 -10.344   7.761   1.551
  311    HA   GLN  47           HA       GLN  47  -9.361   5.539  -0.150
  312   1HB   GLN  47          1HB       GLN  47  -9.415   8.506  -0.856
  313   2HB   GLN  47          2HB       GLN  47  -8.336   7.362  -1.692
  314   1HG   GLN  47          1HG       GLN  47 -11.419   7.240  -1.541
  315   2HG   GLN  47          2HG       GLN  47 -10.459   7.749  -2.979
  316   1HE2  GLN  47          1HE2      GLN  47  -8.626   5.830  -3.432
  317   2HE2  GLN  47          2HE2      GLN  47  -9.321   4.239  -3.485
  318    H    CYS  48           H        CYS  48  -8.204   4.775   1.435
  319    HA   CYS  48           HA       CYS  48  -6.299   6.387   2.849
  320   1HB   CYS  48          1HB       CYS  48  -7.097   3.534   3.358
  321   2HB   CYS  48          2HB       CYS  48  -6.162   4.636   4.451
  322    H    GLN  49           H        GLN  49  -4.291   6.660   2.501
  323    HA   GLN  49           HA       GLN  49  -2.999   4.815   0.627
  324   1HB   GLN  49          1HB       GLN  49  -3.836   7.424   0.292
  325   2HB   GLN  49          2HB       GLN  49  -2.098   7.677   0.669
  326   1HG   GLN  49          1HG       GLN  49  -3.328   5.912  -1.491
  327   2HG   GLN  49          2HG       GLN  49  -2.551   7.514  -1.787
  328   1HE2  GLN  49          1HE2      GLN  49  -2.073   4.112  -1.254
  329   2HE2  GLN  49          2HE2      GLN  49  -0.338   4.061  -1.316
  330    H    CYS  50           H        CYS  50  -1.291   3.793   1.328
  331    HA   CYS  50           HA       CYS  50   0.419   4.825   3.436
  332   1HB   CYS  50          1HB       CYS  50   0.622   2.435   1.509
  333   2HB   CYS  50          2HB       CYS  50   1.918   2.821   2.660
  334    H    TYR  51           H        TYR  51   0.848   6.784   2.675
  335    HA   TYR  51           HA       TYR  51   1.672   7.665   0.241
  336   1HB   TYR  51          1HB       TYR  51   1.163   8.777   2.776
  337   2HB   TYR  51          2HB       TYR  51   2.860   9.186   2.598
  338    HD1  TYR  51           HD1      TYR  51  -0.512   9.581   1.349
  339    HD2  TYR  51           HD2      TYR  51   3.565  10.758   0.648
  340    HE1  TYR  51           HE1      TYR  51  -1.284  11.530   0.096
  341    HE2  TYR  51           HE2      TYR  51   2.800  12.664  -0.627
  342    HH   TYR  51           HH       TYR  51  -0.635  13.647  -0.522
  343    H    ASP  52           H        ASP  52   3.610   6.708   2.791
  344    HA   ASP  52           HA       ASP  52   5.974   8.167   1.993
  345   1HB   ASP  52          1HB       ASP  52   5.121   8.194   4.315
  346   2HB   ASP  52          2HB       ASP  52   5.235   6.396   4.410
  347    HD2  ASP  52           HD2      ASP  52   7.003   9.304   4.263
  348    H    THR  53           H        THR  53   8.197   7.391   1.930
  349    HA   THR  53           HA       THR  53   8.532   4.854   0.595
  350    HB   THR  53           HB       THR  53  11.009   5.289   0.920
  351    HG1  THR  53           HG1      THR  53  11.056   6.729   2.578
  352   1HG2  THR  53          1HG2      THR  53   9.739   5.827  -1.154
  353   2HG2  THR  53          2HG2      THR  53  10.989   7.078  -0.836
  354   3HG2  THR  53          3HG2      THR  53   9.255   7.428  -0.479
  355    H    HIS  54           H        HIS  54   8.229   3.020   1.676
  356    HA   HIS  54           HA       HIS  54   9.742   2.617   4.112
  357   1HB   HIS  54          1HB       HIS  54   7.922   1.991   5.634
  358   2HB   HIS  54          2HB       HIS  54   7.831   3.709   5.080
  359    HD1  HIS  54           HD1      HIS  54   6.185   4.040   2.985
  360    HD2  HIS  54           HD2      HIS  54   5.265   1.131   5.834
  361    HE1  HIS  54           HE1      HIS  54   3.727   3.748   2.921
  362    HE2  HIS  54           HE2      HIS  54   3.161   1.972   4.677
  363    H    LYS  55           H        LYS  55   7.774   0.937   1.681
  364    HA   LYS  55           HA       LYS  55   8.173  -1.539   3.175
  365   1HB   LYS  55          1HB       LYS  55   6.308  -0.101   3.832
  366   2HB   LYS  55          2HB       LYS  55   5.748   0.060   2.154
  367   1HG   LYS  55          1HG       LYS  55   5.863  -2.696   3.495
  368   2HG   LYS  55          2HG       LYS  55   4.590  -1.517   3.956
  369   1HD   LYS  55          1HD       LYS  55   3.882  -1.317   1.522
  370   2HD   LYS  55          2HD       LYS  55   5.120  -2.538   1.100
  371   1HE   LYS  55          1HE       LYS  55   3.002  -3.738   1.290
  372   2HE   LYS  55          2HE       LYS  55   4.061  -4.141   2.699
  373   1HZ   LYS  55          1HZ       LYS  55   1.819  -2.181   2.681
  374   2HZ   LYS  55          2HZ       LYS  55   2.827  -2.526   4.004
  375   3HZ   LYS  55          3HZ       LYS  55   1.804  -3.728   3.379
  376    H    PHE  56           H        PHE  56   8.690  -3.306   1.837
  377    HA   PHE  56           HA       PHE  56   8.808  -2.761  -0.965
  378   1HB   PHE  56          1HB       PHE  56   9.950  -4.873  -1.300
  379   2HB   PHE  56          2HB       PHE  56  10.670  -3.892  -0.009
  380    HD1  PHE  56           HD1      PHE  56   8.180  -6.752  -0.491
  381    HD2  PHE  56           HD2      PHE  56  11.189  -4.946   2.005
  382    HE1  PHE  56           HE1      PHE  56   8.165  -8.726   0.952
  383    HE2  PHE  56           HE2      PHE  56  11.204  -6.949   3.421
  384    HZ   PHE  56           HZ       PHE  56   9.687  -8.855   2.909
  385    H    CYS  57           H        CYS  57   8.262  -4.659  -2.620
  386    HA   CYS  57           HA       CYS  57   5.412  -4.644  -2.629
  387   1HB   CYS  57          1HB       CYS  57   6.836  -4.340  -4.657
  388   2HB   CYS  57          2HB       CYS  57   7.296  -6.064  -4.563
  389    H    TYR  58           H        TYR  58   4.719  -5.726  -0.965
  390    HA   TYR  58           HA       TYR  58   4.972  -8.603  -0.650
  391   1HB   TYR  58          1HB       TYR  58   3.197  -6.426   0.584
  392   2HB   TYR  58          2HB       TYR  58   2.761  -8.134   0.784
  393    HD1  TYR  58           HD1      TYR  58   5.470  -5.614   1.565
  394    HD2  TYR  58           HD2      TYR  58   4.095  -9.671   2.075
  395    HE1  TYR  58           HE1      TYR  58   6.990  -5.900   3.436
  396    HE2  TYR  58           HE2      TYR  58   5.606  -9.958   3.922
  397    HH   TYR  58           HH       TYR  58   7.329  -9.072   5.109
  398    H    LYS  59           H        LYS  59   3.225 -10.028  -0.756
  399    HA   LYS  59           HA       LYS  59   1.771 -10.225  -3.097
  400   1HB   LYS  59          1HB       LYS  59   1.320 -11.680  -0.474
  401   2HB   LYS  59          2HB       LYS  59   0.740 -12.171  -2.113
  402   1HG   LYS  59          1HG       LYS  59   3.292 -12.072  -2.800
  403   2HG   LYS  59          2HG       LYS  59   3.631 -12.072  -1.034
  404   1HD   LYS  59          1HD       LYS  59   2.199 -14.219  -0.886
  405   2HD   LYS  59          2HD       LYS  59   2.320 -14.286  -2.680
  406   1HE   LYS  59          1HE       LYS  59   4.649 -14.235  -0.637
  407   2HE   LYS  59          2HE       LYS  59   4.141 -15.644  -1.655
  408   1HZ   LYS  59          1HZ       LYS  59   4.772 -14.409  -3.601
  409   2HZ   LYS  59          2HZ       LYS  59   6.071 -14.523  -2.510
  410   3HZ   LYS  59          3HZ       LYS  59   5.214 -13.064  -2.658
  411    H    ALA  60           H        ALA  60  -0.548 -10.548  -3.332
  412    HA   ALA  60           HA       ALA  60  -1.834  -8.230  -3.311
  413   1HB   ALA  60          1HB       ALA  60  -2.345 -10.221  -4.683
  414   2HB   ALA  60          2HB       ALA  60  -3.855  -9.573  -3.940
  415   3HB   ALA  60          3HB       ALA  60  -3.050 -11.037  -3.247
  416    H    CYS  61           H        CYS  61  -3.798  -7.370  -2.619
  417    HA   CYS  61           HA       CYS  61  -4.515  -7.941   0.173
  418   1HB   CYS  61          1HB       CYS  61  -3.347  -5.629  -0.552
  419   2HB   CYS  61          2HB       CYS  61  -4.986  -5.196  -1.095
  420    H    HIS  62           H        HIS  62  -5.695  -9.535  -1.382
  421    HA   HIS  62           HA       HIS  62  -8.419  -8.478  -1.906
  422   1HB   HIS  62          1HB       HIS  62  -6.949 -11.003  -2.749
  423   2HB   HIS  62          2HB       HIS  62  -8.726 -10.864  -2.835
  424    HD1  HIS  62           HD1      HIS  62  -6.408  -7.992  -3.713
  425    HD2  HIS  62           HD2      HIS  62  -9.035 -10.683  -5.552
  426    HE1  HIS  62           HE1      HIS  62  -6.677  -7.241  -6.093
  427    HE2  HIS  62           HE2      HIS  62  -8.255  -8.887  -7.197
  428    H    ASN  63           H        ASN  63  -9.464  -8.389   0.074
  429    HA   ASN  63           HA       ASN  63  -8.712 -10.027   2.219
  430   1HB   ASN  63          1HB       ASN  63 -11.242  -8.317   2.030
  431   2HB   ASN  63          2HB       ASN  63 -10.474  -8.929   3.522
  432   1HD2  ASN  63          1HD2      ASN  63  -8.067  -8.067   3.840
  433   2HD2  ASN  63          2HD2      ASN  63  -7.936  -6.382   3.436
  434    H    SER  64           H        SER  64 -11.873  -9.908   0.614
  435    HA   SER  64           HA       SER  64 -12.277 -12.797   1.218
  436   1HB   SER  64          1HB       SER  64 -13.350 -11.442   3.032
  437   2HB   SER  64          2HB       SER  64 -14.284 -10.536   1.797
  438    HG   SER  64           HG       SER  64 -15.600 -12.187   1.598
  439    H    GLU  65           H        GLU  65 -11.574 -12.737  -1.135
  440    HA   GLU  65           HA       GLU  65 -13.228 -11.734  -3.125
  441   1HB   GLU  65          1HB       GLU  65 -12.143 -13.185  -4.706
  442   2HB   GLU  65          2HB       GLU  65 -10.962 -12.415  -3.629
  443   1HG   GLU  65          1HG       GLU  65 -11.975 -15.334  -3.266
  444   2HG   GLU  65          2HG       GLU  65 -10.517 -14.892  -4.202
  445    HE2  GLU  65           HE2      GLU  65  -9.020 -13.644  -3.147
  446    H    ILE  66           H        ILE  66 -13.696 -14.527  -1.203
  447    HA   ILE  66           HA       ILE  66 -16.283 -15.046  -2.330
  448    HB   ILE  66           HB       ILE  66 -14.444 -16.202  -3.715
  449   1HG1  ILE  66          1HG1      ILE  66 -16.707 -17.892  -2.530
  450   2HG1  ILE  66          2HG1      ILE  66 -16.856 -16.631  -3.796
  451   1HG2  ILE  66          1HG2      ILE  66 -14.381 -18.145  -1.302
  452   2HG2  ILE  66          2HG2      ILE  66 -13.084 -16.956  -1.692
  453   3HG2  ILE  66          3HG2      ILE  66 -13.470 -18.277  -2.847
  454   1HD1  ILE  66          1HD1      ILE  66 -15.297 -17.914  -5.301
  455   2HD1  ILE  66          2HD1      ILE  66 -16.752 -18.872  -4.865
  456   3HD1  ILE  66          3HD1      ILE  66 -15.178 -19.224  -4.074
  457    H    GLU  67           H        GLU  67 -17.432 -16.835  -0.948
  458    HA   GLU  67           HA       GLU  67 -16.207 -17.624   1.426
  459   1HB   GLU  67          1HB       GLU  67 -18.269 -16.877   2.802
  460   2HB   GLU  67          2HB       GLU  67 -17.006 -15.649   2.480
  461   1HG   GLU  67          1HG       GLU  67 -19.230 -14.627   2.261
  462   2HG   GLU  67          2HG       GLU  67 -18.360 -14.588   0.694
  463    HE2  GLU  67           HE2      GLU  67 -21.375 -17.236   1.002
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  -4.213 -17.674   5.795
    2   2H    GLY   1          2H        GLY   1  -4.290 -18.720   7.134
    3   3H    GLY   1          3H        GLY   1  -2.825 -18.517   6.296
    4   1HA   GLY   1          1HA       GLY   1  -2.709 -16.242   6.933
    5   2HA   GLY   1          2HA       GLY   1  -4.262 -16.470   7.847
    6    H    ASP   2           H        ASP   2  -0.916 -16.382   8.155
    7    HA   ASP   2           HA       ASP   2  -0.985 -17.424  10.863
    8   1HB   ASP   2          1HB       ASP   2   0.861 -18.619   8.647
    9   2HB   ASP   2          2HB       ASP   2   1.057 -18.921  10.407
   10    HD2  ASP   2           HD2      ASP   2  -1.529 -21.025   8.264
   11    H    ASP   3           H        ASP   3  -0.846 -14.900   9.839
   12    HA   ASP   3           HA       ASP   3   1.560 -13.947  10.943
   13   1HB   ASP   3          1HB       ASP   3   2.259 -14.588   8.523
   14   2HB   ASP   3          2HB       ASP   3   1.074 -13.389   7.928
   15    HD2  ASP   3           HD2      ASP   3   3.846 -13.911   9.803
   16    H    VAL   4           H        VAL   4   0.474 -12.625  12.244
   17    HA   VAL   4           HA       VAL   4  -2.108 -11.643  11.512
   18    HB   VAL   4           HB       VAL   4  -2.310 -10.661  13.662
   19   1HG1  VAL   4          1HG1      VAL   4  -2.156 -12.740  15.013
   20   2HG1  VAL   4          2HG1      VAL   4  -1.045 -13.484  13.821
   21   3HG1  VAL   4          3HG1      VAL   4  -2.746 -13.115  13.353
   22   1HG2  VAL   4          1HG2      VAL   4  -0.584 -10.732  15.385
   23   2HG2  VAL   4          2HG2      VAL   4   0.026  -9.793  13.996
   24   3HG2  VAL   4          3HG2      VAL   4   0.597 -11.479  14.271
   25    H    LYS   5           H        LYS   5   1.066 -10.284  11.340
   26    HA   LYS   5           HA       LYS   5  -0.013  -7.662  10.669
   27   1HB   LYS   5          1HB       LYS   5   2.823  -8.699  11.116
   28   2HB   LYS   5          2HB       LYS   5   2.481  -7.011  10.644
   29   1HG   LYS   5          1HG       LYS   5   1.369  -8.357  13.178
   30   2HG   LYS   5          2HG       LYS   5   2.887  -7.419  13.154
   31   1HD   LYS   5          1HD       LYS   5   1.848  -5.366  12.889
   32   2HD   LYS   5          2HD       LYS   5   0.398  -6.015  12.068
   33   1HE   LYS   5          1HE       LYS   5   0.982  -6.508  15.049
   34   2HE   LYS   5          2HE       LYS   5  -0.024  -5.143  14.428
   35   1HZ   LYS   5          1HZ       LYS   5  -1.488  -6.737  13.417
   36   2HZ   LYS   5          2HZ       LYS   5  -1.349  -7.016  15.084
   37   3HZ   LYS   5          3HZ       LYS   5  -0.549  -8.036  13.985
   38    H    SER   6           H        SER   6  -0.572  -9.837   9.041
   39    HA   SER   6           HA       SER   6   0.684  -9.733   6.532
   40   1HB   SER   6          1HB       SER   6  -1.607 -10.462   5.640
   41   2HB   SER   6          2HB       SER   6  -0.946 -11.471   6.983
   42    HG   SER   6           HG       SER   6  -3.212 -10.828   7.268
   43    H    ALA   7           H        ALA   7   0.552  -8.377   4.751
   44    HA   ALA   7           HA       ALA   7  -1.259  -6.057   4.944
   45   1HB   ALA   7          1HB       ALA   7   1.554  -6.340   3.706
   46   2HB   ALA   7          2HB       ALA   7   1.166  -5.463   5.233
   47   3HB   ALA   7          3HB       ALA   7   0.546  -4.834   3.664
   48    H    CYS   8           H        CYS   8  -2.170  -5.312   3.016
   49    HA   CYS   8           HA       CYS   8  -1.836  -7.078   0.653
   50   1HB   CYS   8          1HB       CYS   8  -4.272  -5.382   1.304
   51   2HB   CYS   8          2HB       CYS   8  -4.047  -6.457  -0.115
   52    H    CYS   9           H        CYS   9  -0.849  -6.225  -1.054
   53    HA   CYS   9           HA       CYS   9  -0.950  -3.309  -1.516
   54   1HB   CYS   9          1HB       CYS   9   1.282  -4.169  -0.709
   55   2HB   CYS   9          2HB       CYS   9   1.239  -5.425  -1.971
   56    H    ASP  10           H        ASP  10  -1.307  -2.746  -3.767
   57    HA   ASP  10           HA       ASP  10  -1.647  -5.037  -5.613
   58   1HB   ASP  10          1HB       ASP  10  -3.368  -2.547  -5.156
   59   2HB   ASP  10          2HB       ASP  10  -3.260  -3.273  -6.778
   60    HD2  ASP  10           HD2      ASP  10  -5.420  -4.982  -4.020
   61    H    THR  11           H        THR  11  -1.589  -1.499  -6.332
   62    HA   THR  11           HA       THR  11   0.529  -2.003  -8.203
   63    HB   THR  11           HB       THR  11  -0.642   0.724  -7.469
   64    HG1  THR  11           HG1      THR  11  -2.214  -0.723  -8.440
   65   1HG2  THR  11          1HG2      THR  11   1.628   0.755  -8.619
   66   2HG2  THR  11          2HG2      THR  11   0.325   1.297  -9.715
   67   3HG2  THR  11          3HG2      THR  11   0.992  -0.373  -9.870
   68    H    CYS  12           H        CYS  12   2.409  -2.305  -7.515
   69    HA   CYS  12           HA       CYS  12   3.599  -0.979  -5.226
   70   1HB   CYS  12          1HB       CYS  12   3.914  -3.437  -5.845
   71   2HB   CYS  12          2HB       CYS  12   4.853  -2.871  -7.297
   72    H    LEU  13           H        LEU  13   5.434   0.442  -5.340
   73    HA   LEU  13           HA       LEU  13   6.564   1.016  -7.954
   74   1HB   LEU  13          1HB       LEU  13   4.602   2.528  -7.613
   75   2HB   LEU  13          2HB       LEU  13   5.321   3.106  -6.086
   76    HG   LEU  13           HG       LEU  13   5.459   4.692  -8.005
   77   1HD1  LEU  13          1HD1      LEU  13   7.104   4.784  -6.131
   78   2HD1  LEU  13          2HD1      LEU  13   7.731   5.459  -7.685
   79   3HD1  LEU  13          3HD1      LEU  13   8.280   3.841  -7.128
   80   1HD2  LEU  13          1HD2      LEU  13   5.765   3.029  -9.859
   81   2HD2  LEU  13          2HD2      LEU  13   7.454   2.724  -9.288
   82   3HD2  LEU  13          3HD2      LEU  13   6.992   4.352  -9.894
   83    H    CYS  14           H        CYS  14   8.466   0.247  -7.403
   84    HA   CYS  14           HA       CYS  14   9.847   1.329  -5.072
   85   1HB   CYS  14          1HB       CYS  14  10.701  -0.889  -6.981
   86   2HB   CYS  14          2HB       CYS  14  11.707  -0.235  -5.684
   87    H    THR  15           H        THR  15  11.596   2.673  -5.157
   88    HA   THR  15           HA       THR  15  11.881   4.078  -7.666
   89    HB   THR  15           HB       THR  15  13.589   5.434  -6.638
   90    HG1  THR  15           HG1      THR  15  13.994   5.210  -4.469
   91   1HG2  THR  15          1HG2      THR  15  12.032   6.511  -5.011
   92   2HG2  THR  15          2HG2      THR  15  11.062   5.005  -4.888
   93   3HG2  THR  15          3HG2      THR  15  11.112   5.909  -6.443
   94    H    ARG  16           H        ARG  16  13.548   4.219  -9.060
   95    HA   ARG  16           HA       ARG  16  15.674   2.242  -8.950
   96   1HB   ARG  16          1HB       ARG  16  14.899   4.381 -10.983
   97   2HB   ARG  16          2HB       ARG  16  16.417   3.451 -11.113
   98   1HG   ARG  16          1HG       ARG  16  13.656   2.130 -10.981
   99   2HG   ARG  16          2HG       ARG  16  14.466   2.593 -12.508
  100   1HD   ARG  16          1HD       ARG  16  16.326   1.052 -12.116
  101   2HD   ARG  16          2HD       ARG  16  15.696   0.617 -10.469
  102    HE   ARG  16           HE       ARG  16  13.529  -0.036 -11.867
  103   1HH1  ARG  16          1HH1      ARG  16  16.928  -0.642 -12.831
  104   2HH1  ARG  16          2HH1      ARG  16  16.558  -2.172 -13.562
  105   1HH2  ARG  16          1HH2      ARG  16  13.098  -2.071 -12.827
  106   2HH2  ARG  16          2HH2      ARG  16  14.373  -2.993 -13.559
  107    H    SER  17           H        SER  17  17.368   2.699  -7.619
  108    HA   SER  17           HA       SER  17  18.634   5.201  -7.372
  109   1HB   SER  17          1HB       SER  17  16.316   5.680  -6.225
  110   2HB   SER  17          2HB       SER  17  16.818   4.515  -4.969
  111    HG   SER  17           HG       SER  17  17.235   6.784  -4.562
  112    H    GLN  18           H        GLN  18  19.453   5.040  -4.789
  113    HA   GLN  18           HA       GLN  18  20.691   2.413  -4.344
  114   1HB   GLN  18          1HB       GLN  18  22.189   4.952  -5.175
  115   2HB   GLN  18          2HB       GLN  18  22.999   3.533  -4.413
  116   1HG   GLN  18          1HG       GLN  18  22.271   2.126  -6.419
  117   2HG   GLN  18          2HG       GLN  18  21.594   3.609  -7.180
  118   1HE2  GLN  18          1HE2      GLN  18  23.313   5.557  -7.159
  119   2HE2  GLN  18          2HE2      GLN  18  24.899   5.079  -7.715
  120    HA   PRO  19           HA       PRO  19  19.951   1.458  -2.683
  121   1HB   PRO  19          1HB       PRO  19  18.460   1.125  -0.370
  122   2HB   PRO  19          2HB       PRO  19  20.285   1.055  -0.395
  123   1HG   PRO  19          1HG       PRO  19  18.507   3.468   0.296
  124   2HG   PRO  19          2HG       PRO  19  19.853   2.764   1.278
  125   1HD   PRO  19          1HD       PRO  19  20.278   4.893  -0.441
  126   2HD   PRO  19          2HD       PRO  19  21.522   3.573  -0.248
  127    HA   PRO  20           HA       PRO  20  15.844   2.627  -4.151
  128   1HB   PRO  20          1HB       PRO  20  14.664   0.184  -4.559
  129   2HB   PRO  20          2HB       PRO  20  16.084   0.695  -5.547
  130   1HG   PRO  20          1HG       PRO  20  16.103  -1.055  -3.022
  131   2HG   PRO  20          2HG       PRO  20  16.858  -1.427  -4.625
  132   1HD   PRO  20          1HD       PRO  20  18.277  -0.289  -2.523
  133   2HD   PRO  20          2HD       PRO  20  18.620   0.173  -4.257
  134    H    THR  21           H        THR  21  13.634   2.613  -3.467
  135    HA   THR  21           HA       THR  21  13.029   1.877  -0.686
  136    HB   THR  21           HB       THR  21  13.377   4.739  -1.787
  137    HG1  THR  21           HG1      THR  21  15.323   3.778  -1.055
  138   1HG2  THR  21          1HG2      THR  21  11.434   4.615  -0.195
  139   2HG2  THR  21          2HG2      THR  21  12.805   5.467   0.559
  140   3HG2  THR  21          3HG2      THR  21  12.474   3.766   1.028
  141    H    CYS  22           H        CYS  22  10.683   1.943  -0.369
  142    HA   CYS  22           HA       CYS  22   9.332   2.158  -2.983
  143   1HB   CYS  22          1HB       CYS  22  10.786   0.021  -2.689
  144   2HB   CYS  22          2HB       CYS  22   9.679  -0.454  -1.379
  145    H    ARG  23           H        ARG  23   7.193   1.250  -2.931
  146    HA   ARG  23           HA       ARG  23   5.656   1.387  -0.516
  147   1HB   ARG  23          1HB       ARG  23   4.457   3.563  -1.254
  148   2HB   ARG  23          2HB       ARG  23   6.141   3.841  -0.730
  149   1HG   ARG  23          1HG       ARG  23   6.947   4.203  -2.893
  150   2HG   ARG  23          2HG       ARG  23   5.609   3.344  -3.699
  151   1HD   ARG  23          1HD       ARG  23   5.513   5.807  -4.074
  152   2HD   ARG  23          2HD       ARG  23   4.032   5.169  -3.272
  153    HE   ARG  23           HE       ARG  23   6.251   6.797  -2.057
  154   1HH1  ARG  23          1HH1      ARG  23   2.975   5.359  -1.616
  155   2HH1  ARG  23          2HH1      ARG  23   2.677   6.249  -0.174
  156   1HH2  ARG  23          1HH2      ARG  23   5.858   7.849  -0.181
  157   2HH2  ARG  23          2HH2      ARG  23   4.376   7.663   0.721
  158    H    CYS  24           H        CYS  24   3.353   1.464  -1.002
  159    HA   CYS  24           HA       CYS  24   2.686   0.297  -3.633
  160   1HB   CYS  24          1HB       CYS  24   1.271   0.033  -0.913
  161   2HB   CYS  24          2HB       CYS  24   0.663  -0.650  -2.456
  162    H    VAL  25           H        VAL  25   2.093   1.935  -4.904
  163    HA   VAL  25           HA       VAL  25   0.994   4.353  -3.937
  164    HB   VAL  25           HB       VAL  25   0.767   5.019  -6.296
  165   1HG1  VAL  25          1HG1      VAL  25   2.813   5.469  -4.970
  166   2HG1  VAL  25          2HG1      VAL  25   3.256   5.060  -6.665
  167   3HG1  VAL  25          3HG1      VAL  25   3.465   3.835  -5.356
  168   1HG2  VAL  25          1HG2      VAL  25   2.001   2.227  -6.878
  169   2HG2  VAL  25          2HG2      VAL  25   1.777   3.565  -8.041
  170   3HG2  VAL  25          3HG2      VAL  25   0.336   2.771  -7.331
  171    H    ASP  26           H        ASP  26  -0.480   1.383  -4.764
  172    HA   ASP  26           HA       ASP  26  -2.993   2.646  -5.440
  173   1HB   ASP  26          1HB       ASP  26  -2.345   0.335  -6.298
  174   2HB   ASP  26          2HB       ASP  26  -2.737  -0.294  -4.639
  175    HD2  ASP  26           HD2      ASP  26  -6.024  -0.512  -5.566
  176    H    VAL  27           H        VAL  27  -4.820   2.913  -4.294
  177    HA   VAL  27           HA       VAL  27  -4.433   3.239  -1.470
  178    HB   VAL  27           HB       VAL  27  -6.358   4.535  -1.446
  179   1HG1  VAL  27          1HG1      VAL  27  -4.315   5.453  -2.682
  180   2HG1  VAL  27          2HG1      VAL  27  -5.881   6.220  -3.139
  181   3HG1  VAL  27          3HG1      VAL  27  -5.116   5.020  -4.233
  182   1HG2  VAL  27          1HG2      VAL  27  -7.879   4.712  -3.481
  183   2HG2  VAL  27          2HG2      VAL  27  -8.012   3.170  -2.574
  184   3HG2  VAL  27          3HG2      VAL  27  -7.108   3.225  -4.139
  185    H    ARG  28           H        ARG  28  -5.639   2.481   0.203
  186    HA   ARG  28           HA       ARG  28  -7.365   0.140  -0.350
  187   1HB   ARG  28          1HB       ARG  28  -5.606   0.888   2.026
  188   2HB   ARG  28          2HB       ARG  28  -6.772  -0.483   2.065
  189   1HG   ARG  28          1HG       ARG  28  -4.459  -0.218   0.041
  190   2HG   ARG  28          2HG       ARG  28  -4.329  -1.089   1.615
  191   1HD   ARG  28          1HD       ARG  28  -6.438  -1.867  -0.509
  192   2HD   ARG  28          2HD       ARG  28  -4.762  -2.574  -0.407
  193    HE   ARG  28           HE       ARG  28  -5.789  -2.682   2.203
  194   1HH1  ARG  28          1HH1      ARG  28  -6.780  -4.026  -0.962
  195   2HH1  ARG  28          2HH1      ARG  28  -7.556  -5.403  -0.250
  196   1HH2  ARG  28          1HH2      ARG  28  -6.792  -4.389   3.076
  197   2HH2  ARG  28          2HH2      ARG  28  -7.595  -5.634   2.128
  198    H    GLU  29           H        GLU  29  -9.110  -0.173   1.125
  199    HA   GLU  29           HA       GLU  29 -10.856   1.920   1.633
  200   1HB   GLU  29          1HB       GLU  29 -10.548  -0.949   2.625
  201   2HB   GLU  29          2HB       GLU  29 -11.967   0.058   3.070
  202   1HG   GLU  29          1HG       GLU  29 -12.345   0.448   0.519
  203   2HG   GLU  29          2HG       GLU  29 -11.194  -0.905   0.223
  204    HE2  GLU  29           HE2      GLU  29 -13.454  -3.239   1.681
  205    H    SER  30           H        SER  30  -8.265   0.730   3.457
  206    HA   SER  30           HA       SER  30  -8.754   2.328   5.825
  207   1HB   SER  30          1HB       SER  30  -8.588  -0.798   5.864
  208   2HB   SER  30          2HB       SER  30  -8.556   0.211   7.344
  209    HG   SER  30           HG       SER  30 -10.551  -0.637   7.049
  210    H    CYS  31           H        CYS  31  -6.798   1.298   7.476
  211    HA   CYS  31           HA       CYS  31  -4.546   0.584   5.716
  212   1HB   CYS  31          1HB       CYS  31  -4.749   3.073   6.485
  213   2HB   CYS  31          2HB       CYS  31  -4.258   2.468   8.119
  214    H    HIS  32           H        HIS  32  -2.734   0.553   8.002
  215    HA   HIS  32           HA       HIS  32  -3.528  -1.442   9.860
  216   1HB   HIS  32          1HB       HIS  32  -3.423  -2.775   7.744
  217   2HB   HIS  32          2HB       HIS  32  -1.755  -2.124   7.453
  218    HD1  HIS  32           HD1      HIS  32  -3.378  -4.985   8.186
  219    HD2  HIS  32           HD2      HIS  32   0.025  -3.216   9.835
  220    HE1  HIS  32           HE1      HIS  32  -2.006  -6.833   9.121
  221    HE2  HIS  32           HE2      HIS  32   0.112  -5.742  10.083
  222    H    SER  33           H        SER  33  -1.705  -1.747  11.334
  223    HA   SER  33           HA       SER  33  -0.070   0.607  11.441
  224   1HB   SER  33          1HB       SER  33   0.028  -1.916  13.211
  225   2HB   SER  33          2HB       SER  33   0.844  -0.365  13.596
  226    HG   SER  33           HG       SER  33  -1.229  -0.774  14.587
  227    H    ALA  34           H        ALA  34   0.573  -1.212   9.170
  228    HA   ALA  34           HA       ALA  34   3.268  -2.145   9.776
  229   1HB   ALA  34          1HB       ALA  34   1.467  -2.374   7.269
  230   2HB   ALA  34          2HB       ALA  34   1.698  -3.656   8.519
  231   3HB   ALA  34          3HB       ALA  34   3.068  -3.177   7.486
  232    H    CYS  35           H        CYS  35   1.816   0.771   8.956
  233    HA   CYS  35           HA       CYS  35   4.312   1.761   7.963
  234   1HB   CYS  35          1HB       CYS  35   2.825   0.959   6.004
  235   2HB   CYS  35          2HB       CYS  35   1.668   2.264   6.480
  236    H    ASP  36           H        ASP  36   4.505   4.079   8.243
  237    HA   ASP  36           HA       ASP  36   3.273   4.708  10.711
  238   1HB   ASP  36          1HB       ASP  36   5.284   6.410   9.074
  239   2HB   ASP  36          2HB       ASP  36   4.948   6.460  10.851
  240    HD2  ASP  36           HD2      ASP  36   7.197   3.561   9.204
  241    H    LYS  37           H        LYS  37   3.636   7.059   7.950
  242    HA   LYS  37           HA       LYS  37   1.391   8.462   9.022
  243   1HB   LYS  37          1HB       LYS  37   3.595   9.493   8.158
  244   2HB   LYS  37          2HB       LYS  37   3.051   9.106   6.520
  245   1HG   LYS  37          1HG       LYS  37   2.467  11.381   6.847
  246   2HG   LYS  37          2HG       LYS  37   0.912  10.513   7.037
  247   1HD   LYS  37          1HD       LYS  37   1.225  10.579   9.553
  248   2HD   LYS  37          2HD       LYS  37   2.782  11.437   9.328
  249   1HE   LYS  37          1HE       LYS  37   1.549  13.364   8.263
  250   2HE   LYS  37          2HE       LYS  37  -0.022  12.498   8.537
  251   1HZ   LYS  37          1HZ       LYS  37   1.936  13.285  10.630
  252   2HZ   LYS  37          2HZ       LYS  37   0.467  12.476  10.884
  253   3HZ   LYS  37          3HZ       LYS  37   0.470  14.062  10.281
  254    H    CYS  38           H        CYS  38  -0.080   6.566   8.516
  255    HA   CYS  38           HA       CYS  38  -1.075   6.607   5.797
  256   1HB   CYS  38          1HB       CYS  38  -0.817   4.650   7.626
  257   2HB   CYS  38          2HB       CYS  38  -2.499   5.141   8.017
  258    H    VAL  39           H        VAL  39  -2.251   8.289   5.107
  259    HA   VAL  39           HA       VAL  39  -4.159   9.486   6.995
  260    HB   VAL  39           HB       VAL  39  -3.999  11.473   5.791
  261   1HG1  VAL  39          1HG1      VAL  39  -1.914  10.921   7.156
  262   2HG1  VAL  39          2HG1      VAL  39  -1.642  12.031   5.751
  263   3HG1  VAL  39          3HG1      VAL  39  -1.159  10.300   5.624
  264   1HG2  VAL  39          1HG2      VAL  39  -4.212  10.746   3.519
  265   2HG2  VAL  39          2HG2      VAL  39  -2.624   9.843   3.631
  266   3HG2  VAL  39          3HG2      VAL  39  -2.675  11.673   3.712
  267    H    CYS  40           H        CYS  40  -6.363   9.967   5.945
  268    HA   CYS  40           HA       CYS  40  -6.899   8.247   3.623
  269   1HB   CYS  40          1HB       CYS  40  -8.298   8.265   6.321
  270   2HB   CYS  40          2HB       CYS  40  -8.962   7.477   4.889
  271    H    ALA  41           H        ALA  41  -8.175   9.095   2.264
  272    HA   ALA  41           HA       ALA  41  -9.557  11.594   2.746
  273   1HB   ALA  41          1HB       ALA  41 -10.291  11.514   0.469
  274   2HB   ALA  41          2HB       ALA  41  -9.610   9.850   0.254
  275   3HB   ALA  41          3HB       ALA  41  -8.513  11.255   0.553
  276    H    TYR  42           H        TYR  42 -11.539  11.828   3.326
  277    HA   TYR  42           HA       TYR  42 -13.067   9.654   4.295
  278   1HB   TYR  42          1HB       TYR  42 -14.510  11.771   5.052
  279   2HB   TYR  42          2HB       TYR  42 -12.829  11.538   5.678
  280    HD1  TYR  42           HD1      TYR  42 -14.662  13.191   2.790
  281    HD2  TYR  42           HD2      TYR  42 -11.187  13.273   5.344
  282    HE1  TYR  42           HE1      TYR  42 -13.863  15.211   1.658
  283    HE2  TYR  42           HE2      TYR  42 -10.423  15.309   4.222
  284    HH   TYR  42           HH       TYR  42 -12.060  16.547   1.315
  285    H    SER  43           H        SER  43 -12.782   9.942   1.472
  286    HA   SER  43           HA       SER  43 -15.024  10.766   0.052
  287   1HB   SER  43          1HB       SER  43 -13.061   8.534  -0.705
  288   2HB   SER  43          2HB       SER  43 -14.046   9.571  -1.839
  289    HG   SER  43           HG       SER  43 -12.017  10.350  -1.793
  290    H    ASN  44           H        ASN  44 -15.713   8.745  -1.658
  291    HA   ASN  44           HA       ASN  44 -16.886   6.561  -0.171
  292   1HB   ASN  44          1HB       ASN  44 -18.457   8.525  -0.275
  293   2HB   ASN  44          2HB       ASN  44 -18.359   8.518  -2.046
  294   1HD2  ASN  44          1HD2      ASN  44 -19.145   6.283  -3.103
  295   2HD2  ASN  44          2HD2      ASN  44 -20.464   5.519  -2.307
  296    HA   PRO  45           HA       PRO  45 -16.237   4.654  -0.309
  297   1HB   PRO  45          1HB       PRO  45 -14.428   2.700  -0.969
  298   2HB   PRO  45          2HB       PRO  45 -16.071   2.648  -1.617
  299   1HG   PRO  45          1HG       PRO  45 -13.580   3.812  -2.996
  300   2HG   PRO  45          2HG       PRO  45 -14.729   2.612  -3.681
  301   1HD   PRO  45          1HD       PRO  45 -14.909   5.373  -4.123
  302   2HD   PRO  45          2HD       PRO  45 -16.388   4.312  -4.071
  303    HA   PRO  46           HA       PRO  46 -12.831   6.935   1.153
  304   1HB   PRO  46          1HB       PRO  46 -11.785   5.515   3.295
  305   2HB   PRO  46          2HB       PRO  46 -13.426   6.263   3.315
  306   1HG   PRO  46          1HG       PRO  46 -12.741   3.354   2.633
  307   2HG   PRO  46          2HG       PRO  46 -13.963   4.004   3.825
  308   1HD   PRO  46          1HD       PRO  46 -14.640   3.231   1.254
  309   2HD   PRO  46          2HD       PRO  46 -15.417   4.739   2.062
  310    H    GLN  47           H        GLN  47 -10.444   7.150   1.339
  311    HA   GLN  47           HA       GLN  47  -9.004   5.038  -0.130
  312   1HB   GLN  47          1HB       GLN  47  -8.578   8.053  -0.547
  313   2HB   GLN  47          2HB       GLN  47  -7.892   6.699  -1.509
  314   1HG   GLN  47          1HG       GLN  47 -10.902   7.447  -1.495
  315   2HG   GLN  47          2HG       GLN  47  -9.686   8.200  -2.583
  316   1HE2  GLN  47          1HE2      GLN  47 -10.847   4.914  -1.600
  317   2HE2  GLN  47          2HE2      GLN  47 -10.687   4.204  -3.169
  318    H    CYS  48           H        CYS  48  -6.855   4.839   0.578
  319    HA   CYS  48           HA       CYS  48  -5.892   6.632   2.682
  320   1HB   CYS  48          1HB       CYS  48  -6.396   3.598   2.904
  321   2HB   CYS  48          2HB       CYS  48  -5.397   4.538   4.075
  322    H    GLN  49           H        GLN  49  -3.769   6.763   2.714
  323    HA   GLN  49           HA       GLN  49  -2.111   4.930   1.193
  324   1HB   GLN  49          1HB       GLN  49  -2.573   7.935   0.778
  325   2HB   GLN  49          2HB       GLN  49  -0.965   7.211   0.369
  326   1HG   GLN  49          1HG       GLN  49  -2.171   5.558  -1.167
  327   2HG   GLN  49          2HG       GLN  49  -3.666   6.542  -0.954
  328   1HE2  GLN  49          1HE2      GLN  49  -3.268   9.026  -1.393
  329   2HE2  GLN  49          2HE2      GLN  49  -2.314   9.349  -2.812
  330    H    CYS  50           H        CYS  50  -0.114   4.743   2.014
  331    HA   CYS  50           HA       CYS  50   0.507   6.319   4.424
  332   1HB   CYS  50          1HB       CYS  50   0.767   3.760   4.417
  333   2HB   CYS  50          2HB       CYS  50   2.103   3.992   3.251
  334    H    TYR  51           H        TYR  51   1.271   8.201   4.008
  335    HA   TYR  51           HA       TYR  51   2.899   8.926   1.845
  336   1HB   TYR  51          1HB       TYR  51   1.951  10.309   4.368
  337   2HB   TYR  51          2HB       TYR  51   3.334  11.040   3.492
  338    HD1  TYR  51           HD1      TYR  51   3.091  11.764   1.066
  339    HD2  TYR  51           HD2      TYR  51  -0.288  10.013   3.154
  340    HE1  TYR  51           HE1      TYR  51   1.681  12.257  -0.791
  341    HE2  TYR  51           HE2      TYR  51  -1.667  10.470   1.219
  342    HH   TYR  51           HH       TYR  51  -1.824  11.264  -0.822
  343    H    ASP  52           H        ASP  52   3.793   7.212   4.552
  344    HA   ASP  52           HA       ASP  52   6.660   7.872   4.141
  345   1HB   ASP  52          1HB       ASP  52   5.241   6.262   6.350
  346   2HB   ASP  52          2HB       ASP  52   7.003   6.197   6.111
  347    HD2  ASP  52           HD2      ASP  52   7.474   8.879   8.015
  348    H    THR  53           H        THR  53   8.187   6.461   3.448
  349    HA   THR  53           HA       THR  53   7.298   4.127   1.996
  350    HB   THR  53           HB       THR  53   9.808   3.885   1.529
  351    HG1  THR  53           HG1      THR  53  10.604   5.173   3.222
  352   1HG2  THR  53          1HG2      THR  53   8.284   6.496   0.800
  353   2HG2  THR  53          2HG2      THR  53   8.201   4.923  -0.072
  354   3HG2  THR  53          3HG2      THR  53   9.732   5.865  -0.053
  355    H    HIS  54           H        HIS  54   7.721   1.971   2.549
  356    HA   HIS  54           HA       HIS  54   9.477   1.441   4.691
  357   1HB   HIS  54          1HB       HIS  54   7.398   1.919   6.076
  358   2HB   HIS  54          2HB       HIS  54   6.585   0.529   5.308
  359    HD1  HIS  54           HD1      HIS  54   6.418  -0.104   7.827
  360    HD2  HIS  54           HD2      HIS  54  10.325  -0.340   6.305
  361    HE1  HIS  54           HE1      HIS  54   7.764  -1.374   9.476
  362    HE2  HIS  54           HE2      HIS  54  10.145  -1.502   8.544
  363    H    LYS  55           H        LYS  55   6.683  -0.449   3.306
  364    HA   LYS  55           HA       LYS  55   8.425  -2.567   2.869
  365   1HB   LYS  55          1HB       LYS  55   6.383  -3.786   2.347
  366   2HB   LYS  55          2HB       LYS  55   6.168  -2.800   3.791
  367   1HG   LYS  55          1HG       LYS  55   5.257  -1.691   1.091
  368   2HG   LYS  55          2HG       LYS  55   4.316  -3.001   1.851
  369   1HD   LYS  55          1HD       LYS  55   4.894  -0.379   3.377
  370   2HD   LYS  55          2HD       LYS  55   3.542  -0.586   2.229
  371   1HE   LYS  55          1HE       LYS  55   2.665  -0.936   4.446
  372   2HE   LYS  55          2HE       LYS  55   2.640  -2.511   3.561
  373   1HZ   LYS  55          1HZ       LYS  55   3.384  -2.802   5.793
  374   2HZ   LYS  55          2HZ       LYS  55   4.610  -1.646   5.627
  375   3HZ   LYS  55          3HZ       LYS  55   4.687  -3.098   4.752
  376    H    PHE  56           H        PHE  56   8.243  -3.923   0.913
  377    HA   PHE  56           HA       PHE  56   8.486  -2.361  -1.539
  378   1HB   PHE  56          1HB       PHE  56   9.773  -4.407  -2.382
  379   2HB   PHE  56          2HB       PHE  56  10.519  -3.544  -1.026
  380    HD1  PHE  56           HD1      PHE  56   9.005  -6.748  -2.061
  381    HD2  PHE  56           HD2      PHE  56  10.403  -4.458   1.315
  382    HE1  PHE  56           HE1      PHE  56   9.018  -8.768  -0.688
  383    HE2  PHE  56           HE2      PHE  56  10.422  -6.490   2.672
  384    HZ   PHE  56           HZ       PHE  56   9.677  -8.659   1.700
  385    H    CYS  57           H        CYS  57   7.980  -4.639  -3.351
  386    HA   CYS  57           HA       CYS  57   5.182  -4.483  -3.385
  387   1HB   CYS  57          1HB       CYS  57   7.051  -6.395  -4.874
  388   2HB   CYS  57          2HB       CYS  57   5.398  -5.912  -5.378
  389    H    TYR  58           H        TYR  58   3.663  -5.765  -2.529
  390    HA   TYR  58           HA       TYR  58   4.533  -8.295  -1.250
  391   1HB   TYR  58          1HB       TYR  58   3.891  -5.980   0.032
  392   2HB   TYR  58          2HB       TYR  58   2.222  -6.564  -0.268
  393    HD1  TYR  58           HD1      TYR  58   5.584  -7.850   0.979
  394    HD2  TYR  58           HD2      TYR  58   1.293  -7.919   1.422
  395    HE1  TYR  58           HE1      TYR  58   5.797  -9.422   2.807
  396    HE2  TYR  58           HE2      TYR  58   1.504  -9.553   3.197
  397    HH   TYR  58           HH       TYR  58   4.669 -10.773   4.339
  398    H    LYS  59           H        LYS  59   2.555  -9.424  -0.498
  399    HA   LYS  59           HA       LYS  59   0.958 -10.549  -2.504
  400   1HB   LYS  59          1HB       LYS  59   0.467 -10.319   0.510
  401   2HB   LYS  59          2HB       LYS  59  -0.407 -11.434  -0.599
  402   1HG   LYS  59          1HG       LYS  59   1.728 -12.700  -1.000
  403   2HG   LYS  59          2HG       LYS  59   2.635 -11.546   0.029
  404   1HD   LYS  59          1HD       LYS  59   0.952 -12.092   1.922
  405   2HD   LYS  59          2HD       LYS  59   0.485 -13.523   0.939
  406   1HE   LYS  59          1HE       LYS  59   3.324 -12.802   1.976
  407   2HE   LYS  59          2HE       LYS  59   2.240 -14.094   2.647
  408   1HZ   LYS  59          1HZ       LYS  59   3.337 -13.987  -0.112
  409   2HZ   LYS  59          2HZ       LYS  59   2.360 -15.216   0.533
  410   3HZ   LYS  59          3HZ       LYS  59   3.921 -14.951   1.155
  411    H    ALA  60           H        ALA  60  -1.270 -10.336  -2.982
  412    HA   ALA  60           HA       ALA  60  -2.511  -7.786  -2.207
  413   1HB   ALA  60          1HB       ALA  60  -2.078  -8.129  -4.616
  414   2HB   ALA  60          2HB       ALA  60  -3.856  -8.182  -4.311
  415   3HB   ALA  60          3HB       ALA  60  -2.914  -9.717  -4.554
  416    H    CYS  61           H        CYS  61  -4.847  -7.846  -1.982
  417    HA   CYS  61           HA       CYS  61  -6.024 -10.391  -1.673
  418   1HB   CYS  61          1HB       CYS  61  -7.089 -10.157   0.444
  419   2HB   CYS  61          2HB       CYS  61  -5.300 -10.082   0.589
  420    H    HIS  62           H        HIS  62  -7.189 -10.153  -3.394
  421    HA   HIS  62           HA       HIS  62  -9.100  -7.950  -3.674
  422   1HB   HIS  62          1HB       HIS  62  -8.682 -10.527  -5.296
  423   2HB   HIS  62          2HB       HIS  62  -9.809  -9.210  -5.726
  424    HD1  HIS  62           HD1      HIS  62  -8.673  -6.805  -6.079
  425    HD2  HIS  62           HD2      HIS  62  -6.053 -10.069  -6.129
  426    HE1  HIS  62           HE1      HIS  62  -6.548  -6.007  -7.134
  427    HE2  HIS  62           HE2      HIS  62  -4.949  -7.988  -7.139
  428    H    ASN  63           H        ASN  63  -8.882 -11.063  -2.168
  429    HA   ASN  63           HA       ASN  63 -11.285 -11.184  -1.020
  430   1HB   ASN  63          1HB       ASN  63 -12.224 -13.227  -2.251
  431   2HB   ASN  63          2HB       ASN  63 -12.358 -11.639  -3.055
  432   1HD2  ASN  63          1HD2      ASN  63 -12.193 -12.176  -5.332
  433   2HD2  ASN  63          2HD2      ASN  63 -10.779 -12.927  -5.966
  434    H    SER  64           H        SER  64 -10.915 -14.258  -1.107
  435    HA   SER  64           HA       SER  64  -9.204 -14.088   1.127
  436   1HB   SER  64          1HB       SER  64 -11.416 -15.514   0.645
  437   2HB   SER  64          2HB       SER  64 -10.268 -16.788   0.164
  438    HG   SER  64           HG       SER  64 -10.581 -15.385   2.632
  439    H    GLU  65           H        GLU  65  -7.354 -13.540  -0.632
  440    HA   GLU  65           HA       GLU  65  -5.726 -15.694  -1.483
  441   1HB   GLU  65          1HB       GLU  65  -5.096 -12.766  -0.907
  442   2HB   GLU  65          2HB       GLU  65  -3.822 -13.968  -1.321
  443   1HG   GLU  65          1HG       GLU  65  -4.466 -12.738  -3.314
  444   2HG   GLU  65          2HG       GLU  65  -4.859 -14.482  -3.479
  445    HE2  GLU  65           HE2      GLU  65  -8.213 -13.963  -3.899
  446    H    ILE  66           H        ILE  66  -4.716 -13.614   1.239
  447    HA   ILE  66           HA       ILE  66  -3.357 -15.828   2.406
  448    HB   ILE  66           HB       ILE  66  -2.270 -13.749   2.182
  449   1HG1  ILE  66          1HG1      ILE  66  -2.724 -14.241   5.173
  450   2HG1  ILE  66          2HG1      ILE  66  -1.914 -15.451   4.115
  451   1HG2  ILE  66          1HG2      ILE  66  -2.815 -11.751   3.491
  452   2HG2  ILE  66          2HG2      ILE  66  -4.221 -12.552   4.251
  453   3HG2  ILE  66          3HG2      ILE  66  -4.231 -12.162   2.478
  454   1HD1  ILE  66          1HD1      ILE  66  -0.255 -13.975   5.308
  455   2HD1  ILE  66          2HD1      ILE  66  -0.935 -12.534   4.470
  456   3HD1  ILE  66          3HD1      ILE  66  -0.135 -13.838   3.520
  457    H    GLU  67           H        GLU  67  -6.217 -13.892   3.188
  458    HA   GLU  67           HA       GLU  67  -7.336 -15.736   4.910
  459   1HB   GLU  67          1HB       GLU  67  -7.613 -14.146   6.802
  460   2HB   GLU  67          2HB       GLU  67  -5.853 -14.359   6.498
  461   1HG   GLU  67          1HG       GLU  67  -6.207 -12.182   4.913
  462   2HG   GLU  67          2HG       GLU  67  -7.658 -11.927   5.925
  463    HE2  GLU  67           HE2      GLU  67  -5.779 -10.519   8.408
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  -7.374 -17.437   9.664
    2   2H    GLY   1          2H        GLY   1  -8.155 -18.603  10.620
    3   3H    GLY   1          3H        GLY   1  -7.831 -17.064  11.261
    4   1HA   GLY   1          1HA       GLY   1  -9.642 -17.703   9.035
    5   2HA   GLY   1          2HA       GLY   1 -10.110 -17.229  10.720
    6    H    ASP   2           H        ASP   2  -9.296 -15.096  11.434
    7    HA   ASP   2           HA       ASP   2  -8.432 -13.148   9.460
    8   1HB   ASP   2          1HB       ASP   2 -11.032 -13.235   9.284
    9   2HB   ASP   2          2HB       ASP   2 -11.088 -12.732  11.009
   10    HD2  ASP   2           HD2      ASP   2  -9.347  -9.674   9.603
   11    H    ASP   3           H        ASP   3  -6.662 -13.550  10.862
   12    HA   ASP   3           HA       ASP   3  -6.461 -11.768  13.060
   13   1HB   ASP   3          1HB       ASP   3  -5.778 -13.715  14.716
   14   2HB   ASP   3          2HB       ASP   3  -7.506 -13.340  14.474
   15    HD2  ASP   3           HD2      ASP   3  -8.704 -14.868  13.995
   16    H    VAL   4           H        VAL   4  -5.133 -11.621  10.815
   17    HA   VAL   4           HA       VAL   4  -2.431 -12.592  11.462
   18    HB   VAL   4           HB       VAL   4  -3.448 -12.067   8.648
   19   1HG1  VAL   4          1HG1      VAL   4  -1.099 -13.748   9.812
   20   2HG1  VAL   4          2HG1      VAL   4  -0.924 -12.127   9.045
   21   3HG1  VAL   4          3HG1      VAL   4  -1.473 -13.522   8.069
   22   1HG2  VAL   4          1HG2      VAL   4  -4.895 -13.892   9.443
   23   2HG2  VAL   4          2HG2      VAL   4  -3.486 -14.734  10.209
   24   3HG2  VAL   4          3HG2      VAL   4  -3.615 -14.602   8.415
   25    H    LYS   5           H        LYS   5  -0.863 -11.020  11.370
   26    HA   LYS   5           HA       LYS   5  -1.794  -8.282  11.212
   27   1HB   LYS   5          1HB       LYS   5   0.049  -7.765  12.650
   28   2HB   LYS   5          2HB       LYS   5  -0.660  -9.299  13.210
   29   1HG   LYS   5          1HG       LYS   5   1.295 -10.387  11.649
   30   2HG   LYS   5          2HG       LYS   5   2.049  -8.793  11.908
   31   1HD   LYS   5          1HD       LYS   5   1.913  -9.104  14.382
   32   2HD   LYS   5          2HD       LYS   5   0.954 -10.606  14.145
   33   1HE   LYS   5          1HE       LYS   5   2.933 -11.640  12.921
   34   2HE   LYS   5          2HE       LYS   5   3.923 -10.189  13.381
   35   1HZ   LYS   5          1HZ       LYS   5   2.484 -11.963  15.275
   36   2HZ   LYS   5          2HZ       LYS   5   3.535 -10.688  15.668
   37   3HZ   LYS   5          3HZ       LYS   5   4.135 -12.076  14.893
   38    H    SER   6           H        SER   6  -1.031 -10.055   8.898
   39    HA   SER   6           HA       SER   6   1.227  -9.142   7.555
   40   1HB   SER   6          1HB       SER   6  -1.424 -10.064   6.331
   41   2HB   SER   6          2HB       SER   6   0.114  -9.843   5.405
   42    HG   SER   6           HG       SER   6  -0.074 -11.961   5.984
   43    H    ALA   7           H        ALA   7   1.707  -7.628   5.949
   44    HA   ALA   7           HA       ALA   7  -0.299  -5.574   5.359
   45   1HB   ALA   7          1HB       ALA   7   2.659  -5.870   4.560
   46   2HB   ALA   7          2HB       ALA   7   2.077  -4.833   5.894
   47   3HB   ALA   7          3HB       ALA   7   1.624  -4.446   4.184
   48    H    CYS   8           H        CYS   8  -1.031  -5.221   3.267
   49    HA   CYS   8           HA       CYS   8  -0.326  -7.138   1.184
   50   1HB   CYS   8          1HB       CYS   8  -2.621  -7.564   0.578
   51   2HB   CYS   8          2HB       CYS   8  -2.322  -8.111   2.247
   52    H    CYS   9           H        CYS   9  -0.879  -6.317  -0.983
   53    HA   CYS   9           HA       CYS   9  -1.618  -3.529  -1.175
   54   1HB   CYS   9          1HB       CYS   9   0.805  -3.483  -0.404
   55   2HB   CYS   9          2HB       CYS   9   1.241  -4.444  -1.840
   56    H    ASP  10           H        ASP  10  -2.574  -3.228  -3.244
   57    HA   ASP  10           HA       ASP  10  -2.254  -5.422  -5.176
   58   1HB   ASP  10          1HB       ASP  10  -4.289  -3.207  -4.697
   59   2HB   ASP  10          2HB       ASP  10  -4.399  -4.313  -6.069
   60    HD2  ASP  10           HD2      ASP  10  -5.738  -3.956  -3.276
   61    H    THR  11           H        THR  11  -1.071  -2.240  -4.781
   62    HA   THR  11           HA       THR  11  -0.355  -2.009  -7.605
   63    HB   THR  11           HB       THR  11  -1.986   0.219  -6.260
   64    HG1  THR  11           HG1      THR  11  -2.837  -1.702  -8.175
   65   1HG2  THR  11          1HG2      THR  11  -0.432   1.013  -8.006
   66   2HG2  THR  11          2HG2      THR  11  -2.104   1.079  -8.632
   67   3HG2  THR  11          3HG2      THR  11  -0.998  -0.247  -9.156
   68    H    CYS  12           H        CYS  12   1.659  -1.237  -7.638
   69    HA   CYS  12           HA       CYS  12   2.769   0.016  -5.246
   70   1HB   CYS  12          1HB       CYS  12   2.187  -2.494  -4.943
   71   2HB   CYS  12          2HB       CYS  12   3.426  -2.822  -6.228
   72    H    LEU  13           H        LEU  13   5.021   0.379  -5.360
   73    HA   LEU  13           HA       LEU  13   6.289   0.470  -7.996
   74   1HB   LEU  13          1HB       LEU  13   4.846   2.448  -7.932
   75   2HB   LEU  13          2HB       LEU  13   5.215   2.726  -6.203
   76    HG   LEU  13           HG       LEU  13   7.661   3.270  -6.977
   77   1HD1  LEU  13          1HD1      LEU  13   7.900   3.892  -9.405
   78   2HD1  LEU  13          2HD1      LEU  13   6.248   3.227  -9.717
   79   3HD1  LEU  13          3HD1      LEU  13   7.574   2.136  -9.180
   80   1HD2  LEU  13          1HD2      LEU  13   5.375   5.058  -8.007
   81   2HD2  LEU  13          2HD2      LEU  13   7.089   5.552  -7.738
   82   3HD2  LEU  13          3HD2      LEU  13   6.071   5.046  -6.340
   83    H    CYS  14           H        CYS  14   8.127  -0.520  -7.454
   84    HA   CYS  14           HA       CYS  14   9.685   0.512  -5.206
   85   1HB   CYS  14          1HB       CYS  14  10.301  -1.755  -7.107
   86   2HB   CYS  14          2HB       CYS  14  11.401  -1.171  -5.844
   87    H    THR  15           H        THR  15  11.604   1.628  -5.291
   88    HA   THR  15           HA       THR  15  11.763   3.246  -7.682
   89    HB   THR  15           HB       THR  15  13.358   4.634  -6.516
   90    HG1  THR  15           HG1      THR  15  13.334   4.018  -4.109
   91   1HG2  THR  15          1HG2      THR  15  11.787   5.451  -4.769
   92   2HG2  THR  15          2HG2      THR  15  10.919   3.873  -4.758
   93   3HG2  THR  15          3HG2      THR  15  10.877   4.916  -6.231
   94    H    ARG  16           H        ARG  16  13.636   3.775  -8.843
   95    HA   ARG  16           HA       ARG  16  15.994   2.094  -8.518
   96   1HB   ARG  16          1HB       ARG  16  15.352   4.434 -10.383
   97   2HB   ARG  16          2HB       ARG  16  17.019   3.816 -10.171
   98   1HG   ARG  16          1HG       ARG  16  14.668   2.204 -11.279
   99   2HG   ARG  16          2HG       ARG  16  16.010   2.949 -12.206
  100   1HD   ARG  16          1HD       ARG  16  17.674   1.522 -10.894
  101   2HD   ARG  16          2HD       ARG  16  16.286   0.623 -10.168
  102    HE   ARG  16           HE       ARG  16  17.369   0.379 -12.878
  103   1HH1  ARG  16          1HH1      ARG  16  14.384   0.009 -10.937
  104   2HH1  ARG  16          2HH1      ARG  16  13.731  -1.231 -11.954
  105   1HH2  ARG  16          1HH2      ARG  16  16.497  -1.329 -14.169
  106   2HH2  ARG  16          2HH2      ARG  16  14.928  -1.978 -13.828
  107    H    SER  17           H        SER  17  17.407   2.624  -6.929
  108    HA   SER  17           HA       SER  17  18.329   5.166  -6.382
  109   1HB   SER  17          1HB       SER  17  15.973   5.397  -5.241
  110   2HB   SER  17          2HB       SER  17  16.581   4.209  -4.052
  111    HG   SER  17           HG       SER  17  17.147   6.099  -3.169
  112    H    GLN  18           H        GLN  18  19.456   5.042  -4.124
  113    HA   GLN  18           HA       GLN  18  20.500   2.410  -3.424
  114   1HB   GLN  18          1HB       GLN  18  22.103   4.582  -4.840
  115   2HB   GLN  18          2HB       GLN  18  22.914   3.334  -3.824
  116   1HG   GLN  18          1HG       GLN  18  21.933   1.508  -5.301
  117   2HG   GLN  18          2HG       GLN  18  21.219   2.760  -6.358
  118   1HE2  GLN  18          1HE2      GLN  18  24.138   1.078  -5.514
  119   2HE2  GLN  18          2HE2      GLN  18  25.194   1.903  -6.658
  120    HA   PRO  19           HA       PRO  19  20.247   1.715  -1.386
  121   1HB   PRO  19          1HB       PRO  19  18.749   1.922   0.947
  122   2HB   PRO  19          2HB       PRO  19  20.579   1.989   0.949
  123   1HG   PRO  19          1HG       PRO  19  18.627   4.367   0.900
  124   2HG   PRO  19          2HG       PRO  19  19.983   4.067   2.065
  125   1HD   PRO  19          1HD       PRO  19  20.308   5.648  -0.181
  126   2HD   PRO  19          2HD       PRO  19  21.646   4.548   0.379
  127    HA   PRO  20           HA       PRO  20  16.375   2.181  -3.453
  128   1HB   PRO  20          1HB       PRO  20  15.222  -0.306  -3.260
  129   2HB   PRO  20          2HB       PRO  20  16.819  -0.082  -4.079
  130   1HG   PRO  20          1HG       PRO  20  16.328  -0.892  -1.152
  131   2HG   PRO  20          2HG       PRO  20  17.315  -1.778  -2.393
  132   1HD   PRO  20          1HD       PRO  20  18.453   0.012  -0.608
  133   2HD   PRO  20          2HD       PRO  20  19.039  -0.089  -2.348
  134    H    THR  21           H        THR  21  13.905   1.885  -3.231
  135    HA   THR  21           HA       THR  21  12.858   1.795  -0.524
  136    HB   THR  21           HB       THR  21  11.608   4.113  -1.333
  137    HG1  THR  21           HG1      THR  21  14.318   4.568  -1.898
  138   1HG2  THR  21          1HG2      THR  21  14.285   3.999   0.215
  139   2HG2  THR  21          2HG2      THR  21  12.661   3.622   0.901
  140   3HG2  THR  21          3HG2      THR  21  13.043   5.284   0.331
  141    H    CYS  22           H        CYS  22  10.551   1.514  -0.544
  142    HA   CYS  22           HA       CYS  22   9.330   1.449  -3.199
  143   1HB   CYS  22          1HB       CYS  22  10.629  -0.711  -2.882
  144   2HB   CYS  22          2HB       CYS  22   9.608  -1.050  -1.482
  145    H    ARG  23           H        ARG  23   7.049   0.750  -3.036
  146    HA   ARG  23           HA       ARG  23   5.670   2.067  -0.825
  147   1HB   ARG  23          1HB       ARG  23   6.756   3.324  -3.387
  148   2HB   ARG  23          2HB       ARG  23   5.112   3.837  -2.906
  149   1HG   ARG  23          1HG       ARG  23   7.561   4.147  -1.138
  150   2HG   ARG  23          2HG       ARG  23   6.872   5.422  -2.197
  151   1HD   ARG  23          1HD       ARG  23   5.386   4.088   0.167
  152   2HD   ARG  23          2HD       ARG  23   6.113   5.739   0.179
  153    HE   ARG  23           HE       ARG  23   3.580   4.888  -0.992
  154   1HH1  ARG  23          1HH1      ARG  23   6.165   7.337  -1.391
  155   2HH1  ARG  23          2HH1      ARG  23   5.123   8.494  -2.130
  156   1HH2  ARG  23          1HH2      ARG  23   2.264   6.340  -1.995
  157   2HH2  ARG  23          2HH2      ARG  23   2.798   7.914  -2.495
  158    H    CYS  24           H        CYS  24   3.574   2.006  -1.023
  159    HA   CYS  24           HA       CYS  24   2.308   0.760  -3.403
  160   1HB   CYS  24          1HB       CYS  24   1.196   1.410  -0.626
  161   2HB   CYS  24          2HB       CYS  24   0.211   0.735  -1.963
  162    H    VAL  25           H        VAL  25   0.330   1.915  -4.087
  163    HA   VAL  25           HA       VAL  25   0.290   4.813  -4.120
  164    HB   VAL  25           HB       VAL  25   0.742   4.648  -6.658
  165   1HG1  VAL  25          1HG1      VAL  25   2.493   5.609  -5.026
  166   2HG1  VAL  25          2HG1      VAL  25   3.145   4.899  -6.559
  167   3HG1  VAL  25          3HG1      VAL  25   3.275   3.975  -5.041
  168   1HG2  VAL  25          1HG2      VAL  25   2.174   2.047  -5.818
  169   2HG2  VAL  25          2HG2      VAL  25   2.074   2.747  -7.478
  170   3HG2  VAL  25          3HG2      VAL  25   0.598   2.072  -6.684
  171    H    ASP  26           H        ASP  26  -1.556   3.200  -3.239
  172    HA   ASP  26           HA       ASP  26  -3.656   3.482  -5.215
  173   1HB   ASP  26          1HB       ASP  26  -4.847   1.557  -3.893
  174   2HB   ASP  26          2HB       ASP  26  -3.615   1.095  -5.103
  175    HD2  ASP  26           HD2      ASP  26  -2.042   0.007  -4.469
  176    H    VAL  27           H        VAL  27  -5.627   4.333  -4.336
  177    HA   VAL  27           HA       VAL  27  -5.460   5.263  -1.561
  178    HB   VAL  27           HB       VAL  27  -6.806   6.595  -3.919
  179   1HG1  VAL  27          1HG1      VAL  27  -7.927   7.102  -1.736
  180   2HG1  VAL  27          2HG1      VAL  27  -6.904   8.509  -2.183
  181   3HG1  VAL  27          3HG1      VAL  27  -6.318   7.343  -0.940
  182   1HG2  VAL  27          1HG2      VAL  27  -4.367   6.827  -4.163
  183   2HG2  VAL  27          2HG2      VAL  27  -4.209   7.116  -2.381
  184   3HG2  VAL  27          3HG2      VAL  27  -4.982   8.366  -3.439
  185    H    ARG  28           H        ARG  28  -6.332   3.441  -0.889
  186    HA   ARG  28           HA       ARG  28  -9.203   3.113  -0.958
  187   1HB   ARG  28          1HB       ARG  28  -7.263   1.318  -2.421
  188   2HB   ARG  28          2HB       ARG  28  -8.576   0.494  -1.503
  189   1HG   ARG  28          1HG       ARG  28 -10.308   1.715  -2.702
  190   2HG   ARG  28          2HG       ARG  28  -9.054   2.563  -3.695
  191   1HD   ARG  28          1HD       ARG  28  -8.279   0.439  -4.646
  192   2HD   ARG  28          2HD       ARG  28  -9.353  -0.512  -3.552
  193    HE   ARG  28           HE       ARG  28 -10.183   1.200  -5.897
  194   1HH1  ARG  28          1HH1      ARG  28 -11.224  -0.932  -3.217
  195   2HH1  ARG  28          2HH1      ARG  28 -12.867  -1.017  -3.768
  196   1HH2  ARG  28          1HH2      ARG  28 -12.391   1.115  -6.559
  197   2HH2  ARG  28          2HH2      ARG  28 -13.535   0.172  -5.662
  198    H    GLU  29           H        GLU  29  -6.583   0.907  -0.613
  199    HA   GLU  29           HA       GLU  29  -7.349  -0.415   1.439
  200   1HB   GLU  29          1HB       GLU  29  -4.680   0.020   0.190
  201   2HB   GLU  29          2HB       GLU  29  -4.854  -1.152   1.541
  202   1HG   GLU  29          1HG       GLU  29  -6.484  -2.511   0.295
  203   2HG   GLU  29          2HG       GLU  29  -6.518  -1.342  -1.078
  204    HE2  GLU  29           HE2      GLU  29  -3.278  -1.910  -1.963
  205    H    SER  30           H        SER  30  -7.737  -0.124   3.252
  206    HA   SER  30           HA       SER  30  -6.578   1.580   5.190
  207   1HB   SER  30          1HB       SER  30  -7.565   0.024   6.945
  208   2HB   SER  30          2HB       SER  30  -8.754   0.616   5.730
  209    HG   SER  30           HG       SER  30  -9.051  -1.569   6.016
  210    H    CYS  31           H        CYS  31  -5.300   1.109   7.058
  211    HA   CYS  31           HA       CYS  31  -2.860   0.056   5.943
  212   1HB   CYS  31          1HB       CYS  31  -3.594   1.495   8.516
  213   2HB   CYS  31          2HB       CYS  31  -1.874   1.074   8.121
  214    H    HIS  32           H        HIS  32  -1.210  -1.049   7.355
  215    HA   HIS  32           HA       HIS  32  -2.315  -2.776   9.400
  216   1HB   HIS  32          1HB       HIS  32  -0.585  -3.860   7.112
  217   2HB   HIS  32          2HB       HIS  32  -1.150  -4.822   8.550
  218    HD1  HIS  32           HD1      HIS  32  -2.257  -3.437   5.299
  219    HD2  HIS  32           HD2      HIS  32  -3.715  -5.889   8.367
  220    HE1  HIS  32           HE1      HIS  32  -4.275  -4.576   4.397
  221    HE2  HIS  32           HE2      HIS  32  -5.145  -6.106   6.259
  222    H    SER  33           H        SER  33   0.629  -4.011   9.458
  223    HA   SER  33           HA       SER  33   1.396  -2.049  11.327
  224   1HB   SER  33          1HB       SER  33   2.637  -4.695  10.395
  225   2HB   SER  33          2HB       SER  33   3.132  -3.807  11.878
  226    HG   SER  33           HG       SER  33   1.705  -5.414  12.350
  227    H    ALA  34           H        ALA  34   2.907  -3.196   8.233
  228    HA   ALA  34           HA       ALA  34   5.197  -1.702   8.452
  229   1HB   ALA  34          1HB       ALA  34   4.897  -3.621   6.860
  230   2HB   ALA  34          2HB       ALA  34   5.455  -2.153   6.012
  231   3HB   ALA  34          3HB       ALA  34   3.716  -2.645   5.919
  232    H    CYS  35           H        CYS  35   2.179  -0.461   8.070
  233    HA   CYS  35           HA       CYS  35   3.111   1.972   6.649
  234   1HB   CYS  35          1HB       CYS  35   1.296   0.668   5.537
  235   2HB   CYS  35          2HB       CYS  35   0.265   0.940   7.007
  236    H    ASP  36           H        ASP  36   3.720   3.529   8.116
  237    HA   ASP  36           HA       ASP  36   2.201   3.849  10.581
  238   1HB   ASP  36          1HB       ASP  36   4.014   5.431  11.189
  239   2HB   ASP  36          2HB       ASP  36   4.668   3.845  10.683
  240    HD2  ASP  36           HD2      ASP  36   5.156   6.962  10.438
  241    H    LYS  37           H        LYS  37   3.156   6.032   7.827
  242    HA   LYS  37           HA       LYS  37   1.157   7.910   8.668
  243   1HB   LYS  37          1HB       LYS  37   3.445   8.608   7.831
  244   2HB   LYS  37          2HB       LYS  37   2.958   8.066   6.214
  245   1HG   LYS  37          1HG       LYS  37   2.707  10.465   6.365
  246   2HG   LYS  37          2HG       LYS  37   1.087   9.729   6.172
  247   1HD   LYS  37          1HD       LYS  37   0.568  10.067   8.554
  248   2HD   LYS  37          2HD       LYS  37   2.257  10.591   8.898
  249   1HE   LYS  37          1HE       LYS  37   1.982  12.634   7.546
  250   2HE   LYS  37          2HE       LYS  37   0.345  12.103   6.996
  251   1HZ   LYS  37          1HZ       LYS  37   1.126  12.677   9.807
  252   2HZ   LYS  37          2HZ       LYS  37  -0.412  12.209   9.260
  253   3HZ   LYS  37          3HZ       LYS  37   0.244  13.693   8.769
  254    H    CYS  38           H        CYS  38  -0.631   6.611   8.476
  255    HA   CYS  38           HA       CYS  38  -1.899   6.175   5.912
  256   1HB   CYS  38          1HB       CYS  38  -2.658   6.081   8.893
  257   2HB   CYS  38          2HB       CYS  38  -3.748   5.451   7.586
  258    H    VAL  39           H        VAL  39  -2.750   8.061   4.857
  259    HA   VAL  39           HA       VAL  39  -4.317   9.764   6.674
  260    HB   VAL  39           HB       VAL  39  -3.624  11.647   5.783
  261   1HG1  VAL  39          1HG1      VAL  39  -1.249   9.930   4.902
  262   2HG1  VAL  39          2HG1      VAL  39  -1.541  10.548   6.594
  263   3HG1  VAL  39          3HG1      VAL  39  -1.269  11.704   5.224
  264   1HG2  VAL  39          1HG2      VAL  39  -2.709  11.870   3.461
  265   2HG2  VAL  39          2HG2      VAL  39  -4.432  11.314   3.510
  266   3HG2  VAL  39          3HG2      VAL  39  -3.088  10.101   3.220
  267    H    CYS  40           H        CYS  40  -6.419  10.418   5.661
  268    HA   CYS  40           HA       CYS  40  -7.236   8.619   3.476
  269   1HB   CYS  40          1HB       CYS  40  -8.440   8.847   6.235
  270   2HB   CYS  40          2HB       CYS  40  -9.220   8.008   4.892
  271    H    ALA  41           H        ALA  41  -8.477   9.439   2.142
  272    HA   ALA  41           HA       ALA  41  -9.604  12.070   2.259
  273   1HB   ALA  41          1HB       ALA  41  -8.603  11.194   0.152
  274   2HB   ALA  41          2HB       ALA  41 -10.341  11.638  -0.022
  275   3HB   ALA  41          3HB       ALA  41  -9.855   9.894   0.127
  276    H    TYR  42           H        TYR  42 -11.695  12.690   2.315
  277    HA   TYR  42           HA       TYR  42 -13.776  10.797   2.889
  278   1HB   TYR  42          1HB       TYR  42 -15.267  12.800   3.001
  279   2HB   TYR  42          2HB       TYR  42 -13.869  12.769   4.103
  280    HD1  TYR  42           HD1      TYR  42 -15.271  14.416   1.111
  281    HD2  TYR  42           HD2      TYR  42 -11.995  14.355   3.873
  282    HE1  TYR  42           HE1      TYR  42 -14.348  16.479   0.050
  283    HE2  TYR  42           HE2      TYR  42 -11.138  16.451   2.904
  284    HH   TYR  42           HH       TYR  42 -12.616  17.883  -0.027
  285    H    SER  43           H        SER  43 -13.346   9.669   0.785
  286    HA   SER  43           HA       SER  43 -14.853  10.715  -1.417
  287   1HB   SER  43          1HB       SER  43 -13.023   8.891  -1.535
  288   2HB   SER  43          2HB       SER  43 -14.349   7.771  -0.950
  289    HG   SER  43           HG       SER  43 -14.034   7.824  -3.259
  290    H    ASN  44           H        ASN  44 -16.291   8.201  -1.851
  291    HA   ASN  44           HA       ASN  44 -18.153   7.707   0.269
  292   1HB   ASN  44          1HB       ASN  44 -19.256   9.446  -1.163
  293   2HB   ASN  44          2HB       ASN  44 -19.026   8.413  -2.595
  294   1HD2  ASN  44          1HD2      ASN  44 -20.086   6.023  -2.180
  295   2HD2  ASN  44          2HD2      ASN  44 -21.629   6.045  -1.384
  296    HA   PRO  45           HA       PRO  45 -17.659   6.075   1.394
  297   1HB   PRO  45          1HB       PRO  45 -16.620   3.642   2.147
  298   2HB   PRO  45          2HB       PRO  45 -18.275   3.737   1.515
  299   1HG   PRO  45          1HG       PRO  45 -15.746   3.079  -0.115
  300   2HG   PRO  45          2HG       PRO  45 -17.232   2.085   0.013
  301   1HD   PRO  45          1HD       PRO  45 -16.866   3.916  -2.042
  302   2HD   PRO  45          2HD       PRO  45 -18.507   3.669  -1.286
  303    HA   PRO  46           HA       PRO  46 -13.703   7.676   1.454
  304   1HB   PRO  46          1HB       PRO  46 -12.652   7.388   4.047
  305   2HB   PRO  46          2HB       PRO  46 -14.081   8.415   3.642
  306   1HG   PRO  46          1HG       PRO  46 -14.134   5.514   4.609
  307   2HG   PRO  46          2HG       PRO  46 -14.996   6.971   5.302
  308   1HD   PRO  46          1HD       PRO  46 -16.263   5.279   3.570
  309   2HD   PRO  46          2HD       PRO  46 -16.449   7.138   3.366
  310    H    GLN  47           H        GLN  47 -11.211   7.533   1.777
  311    HA   GLN  47           HA       GLN  47 -10.282   4.853   1.041
  312   1HB   GLN  47          1HB       GLN  47 -10.405   7.325  -0.778
  313   2HB   GLN  47          2HB       GLN  47  -9.417   5.869  -1.129
  314   1HG   GLN  47          1HG       GLN  47 -11.469   4.439  -1.259
  315   2HG   GLN  47          2HG       GLN  47 -12.494   5.844  -0.801
  316   1HE2  GLN  47          1HE2      GLN  47  -9.915   5.335  -3.354
  317   2HE2  GLN  47          2HE2      GLN  47 -10.928   6.007  -4.599
  318    H    CYS  48           H        CYS  48  -7.760   4.992   0.688
  319    HA   CYS  48           HA       CYS  48  -6.619   6.852   2.636
  320   1HB   CYS  48          1HB       CYS  48  -7.150   3.854   3.023
  321   2HB   CYS  48          2HB       CYS  48  -5.984   4.786   4.032
  322    H    GLN  49           H        GLN  49  -4.454   6.832   2.757
  323    HA   GLN  49           HA       GLN  49  -3.084   5.177   0.786
  324   1HB   GLN  49          1HB       GLN  49  -3.941   7.554   0.095
  325   2HB   GLN  49          2HB       GLN  49  -2.664   8.185   1.164
  326   1HG   GLN  49          1HG       GLN  49  -0.940   6.791  -0.210
  327   2HG   GLN  49          2HG       GLN  49  -2.284   6.390  -1.349
  328   1HE2  GLN  49          1HE2      GLN  49  -3.526   9.080  -1.375
  329   2HE2  GLN  49          2HE2      GLN  49  -2.375  10.099  -2.182
  330    H    CYS  50           H        CYS  50  -1.168   4.458   1.323
  331    HA   CYS  50           HA       CYS  50   0.116   5.259   3.846
  332   1HB   CYS  50          1HB       CYS  50   0.659   3.028   1.777
  333   2HB   CYS  50          2HB       CYS  50   1.771   3.358   3.127
  334    H    TYR  51           H        TYR  51   0.756   7.265   3.422
  335    HA   TYR  51           HA       TYR  51   2.210   8.170   1.217
  336   1HB   TYR  51          1HB       TYR  51   1.466   9.237   3.939
  337   2HB   TYR  51          2HB       TYR  51   2.903   9.976   3.202
  338    HD1  TYR  51           HD1      TYR  51   2.727  11.380   1.132
  339    HD2  TYR  51           HD2      TYR  51  -0.759   9.246   2.606
  340    HE1  TYR  51           HE1      TYR  51   1.367  12.528  -0.436
  341    HE2  TYR  51           HE2      TYR  51  -2.093  10.383   0.925
  342    HH   TYR  51           HH       TYR  51  -0.816  12.859  -1.285
  343    H    ASP  52           H        ASP  52   3.438   6.617   4.040
  344    HA   ASP  52           HA       ASP  52   6.142   7.594   3.472
  345   1HB   ASP  52          1HB       ASP  52   5.307   7.434   5.886
  346   2HB   ASP  52          2HB       ASP  52   5.435   5.639   5.730
  347    HD2  ASP  52           HD2      ASP  52   8.788   5.932   6.477
  348    H    THR  53           H        THR  53   7.819   6.615   2.668
  349    HA   THR  53           HA       THR  53   7.652   3.843   1.802
  350    HB   THR  53           HB       THR  53   8.630   5.444   0.235
  351    HG1  THR  53           HG1      THR  53   9.175   3.179   0.190
  352   1HG2  THR  53          1HG2      THR  53  10.933   6.171   0.490
  353   2HG2  THR  53          2HG2      THR  53  11.060   5.456   2.137
  354   3HG2  THR  53          3HG2      THR  53   9.973   6.870   1.838
  355    H    HIS  54           H        HIS  54   8.525   2.180   2.689
  356    HA   HIS  54           HA       HIS  54  10.771   2.317   4.360
  357   1HB   HIS  54          1HB       HIS  54   9.056   2.763   6.191
  358   2HB   HIS  54          2HB       HIS  54   8.226   1.237   5.782
  359    HD1  HIS  54           HD1      HIS  54   8.746   1.009   8.379
  360    HD2  HIS  54           HD2      HIS  54  12.049   0.565   5.839
  361    HE1  HIS  54           HE1      HIS  54  10.504  -0.148   9.700
  362    HE2  HIS  54           HE2      HIS  54  12.530  -0.406   8.161
  363    H    LYS  55           H        LYS  55   7.994   0.135   3.874
  364    HA   LYS  55           HA       LYS  55   9.501  -2.112   3.550
  365   1HB   LYS  55          1HB       LYS  55   7.274  -3.088   3.650
  366   2HB   LYS  55          2HB       LYS  55   7.345  -1.738   4.749
  367   1HG   LYS  55          1HG       LYS  55   6.097  -1.431   1.937
  368   2HG   LYS  55          2HG       LYS  55   5.210  -1.990   3.387
  369   1HD   LYS  55          1HD       LYS  55   5.961   0.135   4.591
  370   2HD   LYS  55          2HD       LYS  55   6.423   0.782   2.964
  371   1HE   LYS  55          1HE       LYS  55   4.074   0.543   2.174
  372   2HE   LYS  55          2HE       LYS  55   3.606  -0.214   3.756
  373   1HZ   LYS  55          1HZ       LYS  55   4.677   2.542   3.382
  374   2HZ   LYS  55          2HZ       LYS  55   4.272   1.812   4.859
  375   3HZ   LYS  55          3HZ       LYS  55   3.065   2.115   3.702
  376    H    PHE  56           H        PHE  56   7.994  -3.641   1.797
  377    HA   PHE  56           HA       PHE  56   8.818  -2.721  -0.850
  378   1HB   PHE  56          1HB       PHE  56   9.482  -5.109  -1.320
  379   2HB   PHE  56          2HB       PHE  56  10.459  -4.337  -0.041
  380    HD1  PHE  56           HD1      PHE  56   9.948  -4.834   2.416
  381    HD2  PHE  56           HD2      PHE  56   8.171  -7.076  -0.811
  382    HE1  PHE  56           HE1      PHE  56   9.330  -6.622   3.984
  383    HE2  PHE  56           HE2      PHE  56   7.598  -8.870   0.772
  384    HZ   PHE  56           HZ       PHE  56   8.153  -8.639   3.174
  385    H    CYS  57           H        CYS  57   7.703  -4.646  -2.502
  386    HA   CYS  57           HA       CYS  57   4.896  -4.014  -2.165
  387   1HB   CYS  57          1HB       CYS  57   6.392  -5.584  -4.311
  388   2HB   CYS  57          2HB       CYS  57   4.630  -5.257  -4.338
  389    H    TYR  58           H        TYR  58   3.577  -5.127  -1.039
  390    HA   TYR  58           HA       TYR  58   4.136  -7.916  -0.324
  391   1HB   TYR  58          1HB       TYR  58   2.002  -5.882   0.516
  392   2HB   TYR  58          2HB       TYR  58   1.888  -7.595   0.988
  393    HD1  TYR  58           HD1      TYR  58   3.773  -4.445   1.519
  394    HD2  TYR  58           HD2      TYR  58   3.640  -8.672   2.432
  395    HE1  TYR  58           HE1      TYR  58   5.395  -4.143   3.266
  396    HE2  TYR  58           HE2      TYR  58   5.237  -8.337   4.204
  397    HH   TYR  58           HH       TYR  58   6.457  -6.721   5.458
  398    H    LYS  59           H        LYS  59   2.377  -9.444  -0.326
  399    HA   LYS  59           HA       LYS  59   1.331 -10.182  -2.755
  400   1HB   LYS  59          1HB       LYS  59   0.420 -10.748   0.094
  401   2HB   LYS  59          2HB       LYS  59  -0.168 -11.657  -1.347
  402   1HG   LYS  59          1HG       LYS  59   1.882 -12.780  -1.658
  403   2HG   LYS  59          2HG       LYS  59   2.859 -11.509  -0.896
  404   1HD   LYS  59          1HD       LYS  59   1.825 -12.108   1.356
  405   2HD   LYS  59          2HD       LYS  59   1.087 -13.546   0.566
  406   1HE   LYS  59          1HE       LYS  59   3.350 -14.416  -0.026
  407   2HE   LYS  59          2HE       LYS  59   4.118 -12.886   0.562
  408   1HZ   LYS  59          1HZ       LYS  59   2.604 -14.835   2.215
  409   2HZ   LYS  59          2HZ       LYS  59   3.299 -13.386   2.768
  410   3HZ   LYS  59          3HZ       LYS  59   4.291 -14.624   2.171
  411    H    ALA  60           H        ALA  60  -0.674 -10.109  -3.742
  412    HA   ALA  60           HA       ALA  60  -2.166  -7.740  -3.337
  413   1HB   ALA  60          1HB       ALA  60  -3.551  -8.634  -5.224
  414   2HB   ALA  60          2HB       ALA  60  -2.698 -10.222  -5.043
  415   3HB   ALA  60          3HB       ALA  60  -1.790  -8.764  -5.564
  416    H    CYS  61           H        CYS  61  -4.171  -7.370  -2.646
  417    HA   CYS  61           HA       CYS  61  -4.849  -9.092  -0.409
  418   1HB   CYS  61          1HB       CYS  61  -4.317  -6.426  -0.479
  419   2HB   CYS  61          2HB       CYS  61  -6.076  -6.328  -0.659
  420    H    HIS  62           H        HIS  62  -6.305 -10.618  -0.984
  421    HA   HIS  62           HA       HIS  62  -8.894  -9.608  -2.069
  422   1HB   HIS  62          1HB       HIS  62  -7.375 -12.148  -2.746
  423   2HB   HIS  62          2HB       HIS  62  -9.094 -11.897  -3.177
  424    HD1  HIS  62           HD1      HIS  62  -9.656  -9.888  -4.705
  425    HD2  HIS  62           HD2      HIS  62  -5.528 -10.366  -4.160
  426    HE1  HIS  62           HE1      HIS  62  -8.538  -8.296  -6.271
  427    HE2  HIS  62           HE2      HIS  62  -6.025  -8.551  -5.887
  428    H    ASN  63           H        ASN  63 -10.703 -10.071  -0.940
  429    HA   ASN  63           HA       ASN  63 -11.111 -12.142   0.789
  430   1HB   ASN  63          1HB       ASN  63 -11.149 -10.641   2.922
  431   2HB   ASN  63          2HB       ASN  63  -9.603 -11.384   2.438
  432   1HD2  ASN  63          1HD2      ASN  63  -7.787  -9.840   1.785
  433   2HD2  ASN  63          2HD2      ASN  63  -8.047  -8.157   1.962
  434    H    SER  64           H        SER  64 -11.785  -8.710   1.197
  435    HA   SER  64           HA       SER  64 -14.645  -9.129   0.695
  436   1HB   SER  64          1HB       SER  64 -13.738  -7.602   2.495
  437   2HB   SER  64          2HB       SER  64 -13.217  -6.470   1.205
  438    HG   SER  64           HG       SER  64 -15.367  -6.101   2.175
  439    H    GLU  65           H        GLU  65 -14.379  -9.913  -1.460
  440    HA   GLU  65           HA       GLU  65 -13.656  -8.318  -3.698
  441   1HB   GLU  65          1HB       GLU  65 -15.741 -10.567  -3.648
  442   2HB   GLU  65          2HB       GLU  65 -14.853  -9.936  -5.066
  443   1HG   GLU  65          1HG       GLU  65 -13.731 -11.697  -2.766
  444   2HG   GLU  65          2HG       GLU  65 -14.038 -12.149  -4.455
  445    HE2  GLU  65           HE2      GLU  65 -11.918 -12.781  -3.611
  446    H    ILE  66           H        ILE  66 -16.568  -8.844  -1.890
  447    HA   ILE  66           HA       ILE  66 -17.796  -6.400  -2.586
  448    HB   ILE  66           HB       ILE  66 -20.008  -7.454  -3.126
  449   1HG1  ILE  66          1HG1      ILE  66 -18.419 -10.021  -3.757
  450   2HG1  ILE  66          2HG1      ILE  66 -19.417  -9.805  -2.284
  451   1HG2  ILE  66          1HG2      ILE  66 -17.878  -8.117  -5.236
  452   2HG2  ILE  66          2HG2      ILE  66 -18.468  -6.448  -4.881
  453   3HG2  ILE  66          3HG2      ILE  66 -19.597  -7.701  -5.519
  454   1HD1  ILE  66          1HD1      ILE  66 -20.458  -9.731  -5.198
  455   2HD1  ILE  66          2HD1      ILE  66 -21.450  -9.363  -3.743
  456   3HD1  ILE  66          3HD1      ILE  66 -20.749 -11.008  -3.965
  457    H    GLU  67           H        GLU  67 -19.798  -6.215  -1.133
  458    HA   GLU  67           HA       GLU  67 -19.516  -7.901   1.255
  459   1HB   GLU  67          1HB       GLU  67 -20.380  -5.986   2.552
  460   2HB   GLU  67          2HB       GLU  67 -18.753  -5.680   1.868
  461   1HG   GLU  67          1HG       GLU  67 -21.370  -4.606   0.591
  462   2HG   GLU  67          2HG       GLU  67 -20.413  -3.704   1.815
  463    HE2  GLU  67           HE2      GLU  67 -17.929  -2.796  -0.370
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  -7.994 -15.436  10.019
    2   2H    GLY   1          2H        GLY   1  -6.465 -16.022  10.486
    3   3H    GLY   1          3H        GLY   1  -6.584 -14.730   9.386
    4   1HA   GLY   1          1HA       GLY   1  -7.593 -14.641  12.135
    5   2HA   GLY   1          2HA       GLY   1  -5.952 -14.070  11.627
    6    H    ASP   2           H        ASP   2  -7.350 -12.236  12.896
    7    HA   ASP   2           HA       ASP   2  -7.927 -10.223  10.842
    8   1HB   ASP   2          1HB       ASP   2  -9.918 -11.008  13.110
    9   2HB   ASP   2          2HB       ASP   2 -10.130  -9.631  11.976
   10    HD2  ASP   2           HD2      ASP   2 -10.828 -11.777   9.267
   11    H    ASP   3           H        ASP   3  -5.933 -10.913  12.748
   12    HA   ASP   3           HA       ASP   3  -5.590  -8.536  14.316
   13   1HB   ASP   3          1HB       ASP   3  -5.094  -9.805  16.403
   14   2HB   ASP   3          2HB       ASP   3  -6.825  -9.900  15.942
   15    HD2  ASP   3           HD2      ASP   3  -6.712 -13.328  15.172
   16    H    VAL   4           H        VAL   4  -4.400  -8.742  12.180
   17    HA   VAL   4           HA       VAL   4  -1.746  -9.792  12.733
   18    HB   VAL   4           HB       VAL   4  -3.025 -11.397  11.354
   19   1HG1  VAL   4          1HG1      VAL   4  -3.398 -10.900   8.933
   20   2HG1  VAL   4          2HG1      VAL   4  -2.890  -9.195   9.166
   21   3HG1  VAL   4          3HG1      VAL   4  -4.388  -9.810   9.959
   22   1HG2  VAL   4          1HG2      VAL   4  -0.551 -11.356  11.373
   23   2HG2  VAL   4          2HG2      VAL   4  -0.517 -10.133  10.052
   24   3HG2  VAL   4          3HG2      VAL   4  -1.165 -11.776   9.739
   25    H    LYS   5           H        LYS   5  -0.111  -8.495  12.083
   26    HA   LYS   5           HA       LYS   5  -0.907  -5.765  11.663
   27   1HB   LYS   5          1HB       LYS   5   1.782  -7.129  12.192
   28   2HB   LYS   5          2HB       LYS   5   1.579  -5.361  12.189
   29   1HG   LYS   5          1HG       LYS   5   0.025  -7.262  14.083
   30   2HG   LYS   5          2HG       LYS   5   1.585  -6.516  14.505
   31   1HD   LYS   5          1HD       LYS   5  -0.809  -4.778  13.667
   32   2HD   LYS   5          2HD       LYS   5  -0.675  -5.456  15.312
   33   1HE   LYS   5          1HE       LYS   5   1.471  -4.337  15.734
   34   2HE   LYS   5          2HE       LYS   5   1.509  -3.683  14.045
   35   1HZ   LYS   5          1HZ       LYS   5   0.686  -2.087  15.634
   36   2HZ   LYS   5          2HZ       LYS   5  -0.582  -3.122  16.084
   37   3HZ   LYS   5          3HZ       LYS   5  -0.520  -2.498  14.510
   38    H    SER   6           H        SER   6  -0.340  -8.152   9.623
   39    HA   SER   6           HA       SER   6   1.411  -7.360   7.674
   40   1HB   SER   6          1HB       SER   6  -1.177  -8.999   7.355
   41   2HB   SER   6          2HB       SER   6   0.063  -8.845   6.055
   42    HG   SER   6           HG       SER   6   0.443 -10.696   7.275
   43    H    ALA   7           H        ALA   7   1.348  -6.464   5.643
   44    HA   ALA   7           HA       ALA   7  -0.735  -4.493   5.122
   45   1HB   ALA   7          1HB       ALA   7   0.876  -3.849   3.243
   46   2HB   ALA   7          2HB       ALA   7   1.895  -5.260   3.692
   47   3HB   ALA   7          3HB       ALA   7   1.723  -3.908   4.840
   48    H    CYS   8           H        CYS   8  -1.859  -4.434   3.073
   49    HA   CYS   8           HA       CYS   8  -1.391  -6.775   1.327
   50   1HB   CYS   8          1HB       CYS   8  -3.704  -6.925   1.982
   51   2HB   CYS   8          2HB       CYS   8  -3.972  -5.183   1.718
   52    H    CYS   9           H        CYS   9  -0.361  -6.228  -0.592
   53    HA   CYS   9           HA       CYS   9  -0.732  -3.464  -1.553
   54   1HB   CYS   9          1HB       CYS   9   1.489  -3.964  -0.237
   55   2HB   CYS   9          2HB       CYS   9   1.938  -4.997  -1.610
   56    H    ASP  10           H        ASP  10  -1.843  -3.839  -3.557
   57    HA   ASP  10           HA       ASP  10  -1.047  -6.247  -5.067
   58   1HB   ASP  10          1HB       ASP  10  -3.418  -4.327  -5.169
   59   2HB   ASP  10          2HB       ASP  10  -2.998  -5.217  -6.610
   60    HD2  ASP  10           HD2      ASP  10  -3.543  -5.720  -3.263
   61    H    THR  11           H        THR  11  -0.513  -2.773  -5.217
   62    HA   THR  11           HA       THR  11   0.720  -2.940  -7.863
   63    HB   THR  11           HB       THR  11  -1.629  -1.063  -7.142
   64    HG1  THR  11           HG1      THR  11  -2.867  -2.245  -8.525
   65   1HG2  THR  11          1HG2      THR  11  -1.575  -0.475  -9.555
   66   2HG2  THR  11          2HG2      THR  11  -0.279  -1.691  -9.866
   67   3HG2  THR  11          3HG2      THR  11   0.068  -0.221  -8.896
   68    H    CYS  12           H        CYS  12   2.474  -1.611  -7.811
   69    HA   CYS  12           HA       CYS  12   2.708   0.405  -5.738
   70   1HB   CYS  12          1HB       CYS  12   4.556  -0.938  -4.705
   71   2HB   CYS  12          2HB       CYS  12   2.904  -1.711  -4.636
   72    H    LEU  13           H        LEU  13   4.161   1.854  -5.878
   73    HA   LEU  13           HA       LEU  13   5.820   1.994  -8.277
   74   1HB   LEU  13          1HB       LEU  13   4.395   3.871  -7.758
   75   2HB   LEU  13          2HB       LEU  13   5.100   4.057  -6.123
   76    HG   LEU  13           HG       LEU  13   6.782   4.245  -8.703
   77   1HD1  LEU  13          1HD1      LEU  13   5.225   6.531  -7.330
   78   2HD1  LEU  13          2HD1      LEU  13   4.790   5.749  -8.890
   79   3HD1  LEU  13          3HD1      LEU  13   6.325   6.680  -8.752
   80   1HD2  LEU  13          1HD2      LEU  13   8.163   5.868  -7.339
   81   2HD2  LEU  13          2HD2      LEU  13   8.158   4.224  -6.622
   82   3HD2  LEU  13          3HD2      LEU  13   7.126   5.514  -5.904
   83    H    CYS  14           H        CYS  14   7.565   0.813  -8.035
   84    HA   CYS  14           HA       CYS  14   9.170   1.183  -5.617
   85   1HB   CYS  14          1HB       CYS  14   9.561  -0.829  -7.856
   86   2HB   CYS  14          2HB       CYS  14  10.683  -0.565  -6.517
   87    H    THR  15           H        THR  15  10.781   2.473  -5.556
   88    HA   THR  15           HA       THR  15  11.402   4.120  -7.851
   89    HB   THR  15           HB       THR  15  13.118   5.188  -6.368
   90    HG1  THR  15           HG1      THR  15  11.840   3.751  -4.307
   91   1HG2  THR  15          1HG2      THR  15  10.234   4.926  -5.218
   92   2HG2  THR  15          2HG2      THR  15  10.734   5.998  -6.560
   93   3HG2  THR  15          3HG2      THR  15  11.397   6.268  -4.910
   94    H    ARG  16           H        ARG  16  13.376   4.429  -8.889
   95    HA   ARG  16           HA       ARG  16  15.406   2.377  -8.701
   96   1HB   ARG  16          1HB       ARG  16  15.315   4.917 -10.413
   97   2HB   ARG  16          2HB       ARG  16  16.582   3.639 -10.467
   98   1HG   ARG  16          1HG       ARG  16  14.906   1.961 -11.133
   99   2HG   ARG  16          2HG       ARG  16  13.605   3.210 -11.099
  100   1HD   ARG  16          1HD       ARG  16  14.723   4.463 -12.960
  101   2HD   ARG  16          2HD       ARG  16  16.040   3.206 -13.008
  102    HE   ARG  16           HE       ARG  16  13.414   1.962 -13.125
  103   1HH1  ARG  16          1HH1      ARG  16  15.680   3.862 -15.141
  104   2HH1  ARG  16          2HH1      ARG  16  15.141   3.151 -16.626
  105   1HH2  ARG  16          1HH2      ARG  16  12.744   1.016 -15.117
  106   2HH2  ARG  16          2HH2      ARG  16  13.446   1.530 -16.617
  107    H    SER  17           H        SER  17  16.982   2.600  -7.132
  108    HA   SER  17           HA       SER  17  18.188   5.007  -6.369
  109   1HB   SER  17          1HB       SER  17  15.804   5.396  -5.346
  110   2HB   SER  17          2HB       SER  17  16.191   4.068  -4.217
  111    HG   SER  17           HG       SER  17  16.679   6.322  -3.526
  112    H    GLN  18           H        GLN  18  18.711   4.425  -3.703
  113    HA   GLN  18           HA       GLN  18  19.899   1.762  -3.546
  114   1HB   GLN  18          1HB       GLN  18  21.496   4.370  -3.747
  115   2HB   GLN  18          2HB       GLN  18  22.174   2.840  -3.077
  116   1HG   GLN  18          1HG       GLN  18  21.589   1.719  -5.352
  117   2HG   GLN  18          2HG       GLN  18  21.249   3.358  -5.988
  118   1HE2  GLN  18          1HE2      GLN  18  23.793   1.605  -4.111
  119   2HE2  GLN  18          2HE2      GLN  18  25.145   2.340  -4.935
  120    HA   PRO  19           HA       PRO  19  19.017   0.494  -2.133
  121   1HB   PRO  19          1HB       PRO  19  17.129  -0.110  -0.189
  122   2HB   PRO  19          2HB       PRO  19  18.925  -0.198   0.142
  123   1HG   PRO  19          1HG       PRO  19  17.035   2.153   0.747
  124   2HG   PRO  19          2HG       PRO  19  18.152   1.296   1.893
  125   1HD   PRO  19          1HD       PRO  19  18.898   3.610   0.579
  126   2HD   PRO  19          2HD       PRO  19  20.099   2.261   0.840
  127    HA   PRO  20           HA       PRO  20  15.218   2.058  -4.045
  128   1HB   PRO  20          1HB       PRO  20  13.940  -0.218  -4.880
  129   2HB   PRO  20          2HB       PRO  20  15.520   0.264  -5.607
  130   1HG   PRO  20          1HG       PRO  20  15.050  -1.712  -3.302
  131   2HG   PRO  20          2HG       PRO  20  15.989  -1.999  -4.825
  132   1HD   PRO  20          1HD       PRO  20  17.181  -1.198  -2.437
  133   2HD   PRO  20          2HD       PRO  20  17.810  -0.618  -4.059
  134    H    THR  21           H        THR  21  12.899   1.953  -3.734
  135    HA   THR  21           HA       THR  21  12.102   1.414  -0.930
  136    HB   THR  21           HB       THR  21  12.349   4.225  -2.204
  137    HG1  THR  21           HG1      THR  21  14.440   3.454  -1.611
  138   1HG2  THR  21          1HG2      THR  21  11.820   5.038   0.048
  139   2HG2  THR  21          2HG2      THR  21  11.970   3.384   0.737
  140   3HG2  THR  21          3HG2      THR  21  10.586   3.776  -0.317
  141    H    CYS  22           H        CYS  22   9.839   1.159  -0.879
  142    HA   CYS  22           HA       CYS  22   8.417   1.852  -3.382
  143   1HB   CYS  22          1HB       CYS  22   9.744  -0.379  -3.499
  144   2HB   CYS  22          2HB       CYS  22   8.645  -1.011  -2.251
  145    H    ARG  23           H        ARG  23   6.189   1.454  -3.381
  146    HA   ARG  23           HA       ARG  23   4.730   0.930  -0.988
  147   1HB   ARG  23          1HB       ARG  23   5.808   3.111  -0.404
  148   2HB   ARG  23          2HB       ARG  23   5.019   3.893  -1.795
  149   1HG   ARG  23          1HG       ARG  23   3.382   2.537   0.443
  150   2HG   ARG  23          2HG       ARG  23   4.127   4.093   0.710
  151   1HD   ARG  23          1HD       ARG  23   2.397   3.777  -1.795
  152   2HD   ARG  23          2HD       ARG  23   1.664   4.158  -0.164
  153    HE   ARG  23           HE       ARG  23   3.734   5.895  -0.247
  154   1HH1  ARG  23          1HH1      ARG  23   1.219   5.352  -2.798
  155   2HH1  ARG  23          2HH1      ARG  23   1.243   7.005  -3.262
  156   1HH2  ARG  23          1HH2      ARG  23   3.708   7.878  -0.813
  157   2HH2  ARG  23          2HH2      ARG  23   2.712   8.568  -2.078
  158    H    CYS  24           H        CYS  24   2.519   0.993  -1.283
  159    HA   CYS  24           HA       CYS  24   1.740   0.281  -3.864
  160   1HB   CYS  24          1HB       CYS  24  -0.148   0.749  -1.499
  161   2HB   CYS  24          2HB       CYS  24  -0.307  -0.471  -2.800
  162    H    VAL  25           H        VAL  25   0.990   1.636  -5.492
  163    HA   VAL  25           HA       VAL  25  -0.022   4.232  -4.971
  164    HB   VAL  25           HB       VAL  25  -0.590   4.338  -7.331
  165   1HG1  VAL  25          1HG1      VAL  25   2.220   3.192  -6.736
  166   2HG1  VAL  25          2HG1      VAL  25   1.697   4.891  -6.433
  167   3HG1  VAL  25          3HG1      VAL  25   1.763   4.253  -8.117
  168   1HG2  VAL  25          1HG2      VAL  25  -1.245   1.943  -7.752
  169   2HG2  VAL  25          2HG2      VAL  25   0.466   1.428  -7.474
  170   3HG2  VAL  25          3HG2      VAL  25   0.051   2.483  -8.862
  171    H    ASP  26           H        ASP  26  -1.262   1.107  -4.892
  172    HA   ASP  26           HA       ASP  26  -3.950   1.633  -5.523
  173   1HB   ASP  26          1HB       ASP  26  -2.559  -0.678  -5.266
  174   2HB   ASP  26          2HB       ASP  26  -3.303  -0.684  -3.631
  175    HD2  ASP  26           HD2      ASP  26  -5.783  -0.109  -3.829
  176    H    VAL  27           H        VAL  27  -5.404   2.696  -4.476
  177    HA   VAL  27           HA       VAL  27  -5.365   3.372  -1.719
  178    HB   VAL  27           HB       VAL  27  -6.521   4.914  -2.790
  179   1HG1  VAL  27          1HG1      VAL  27  -6.560   4.146  -5.042
  180   2HG1  VAL  27          2HG1      VAL  27  -8.246   4.495  -4.581
  181   3HG1  VAL  27          3HG1      VAL  27  -7.718   2.779  -4.647
  182   1HG2  VAL  27          1HG2      VAL  27  -8.146   4.046  -1.010
  183   2HG2  VAL  27          2HG2      VAL  27  -8.872   2.961  -2.260
  184   3HG2  VAL  27          3HG2      VAL  27  -8.972   4.731  -2.459
  185    H    ARG  28           H        ARG  28  -6.396   2.665   0.057
  186    HA   ARG  28           HA       ARG  28  -7.534  -0.041  -0.089
  187   1HB   ARG  28          1HB       ARG  28  -5.784   1.372   1.961
  188   2HB   ARG  28          2HB       ARG  28  -6.698  -0.119   2.372
  189   1HG   ARG  28          1HG       ARG  28  -4.792  -0.023  -0.013
  190   2HG   ARG  28          2HG       ARG  28  -4.218  -0.409   1.655
  191   1HD   ARG  28          1HD       ARG  28  -5.574  -2.401   1.809
  192   2HD   ARG  28          2HD       ARG  28  -6.572  -1.925   0.385
  193    HE   ARG  28           HE       ARG  28  -3.698  -2.901   0.332
  194   1HH1  ARG  28          1HH1      ARG  28  -6.694  -2.068  -1.440
  195   2HH1  ARG  28          2HH1      ARG  28  -6.131  -2.714  -2.948
  196   1HH2  ARG  28          1HH2      ARG  28  -2.978  -3.728  -1.700
  197   2HH2  ARG  28          2HH2      ARG  28  -4.018  -3.637  -3.101
  198    H    GLU  29           H        GLU  29  -9.031  -0.544   1.638
  199    HA   GLU  29           HA       GLU  29 -11.128   1.252   2.088
  200   1HB   GLU  29          1HB       GLU  29 -10.241  -1.352   3.383
  201   2HB   GLU  29          2HB       GLU  29 -11.781  -0.518   3.776
  202   1HG   GLU  29          1HG       GLU  29 -12.156  -0.650   1.082
  203   2HG   GLU  29          2HG       GLU  29 -10.936  -1.963   1.181
  204    HE2  GLU  29           HE2      GLU  29 -13.910  -0.788   2.369
  205    H    SER  30           H        SER  30  -8.290   0.382   3.950
  206    HA   SER  30           HA       SER  30  -8.715   2.615   5.757
  207   1HB   SER  30          1HB       SER  30  -8.280  -0.285   6.776
  208   2HB   SER  30          2HB       SER  30  -8.454   1.173   7.824
  209    HG   SER  30           HG       SER  30 -10.395   0.408   7.879
  210    H    CYS  31           H        CYS  31  -6.671   1.875   7.646
  211    HA   CYS  31           HA       CYS  31  -4.284   1.868   5.958
  212   1HB   CYS  31          1HB       CYS  31  -4.968   2.537   8.871
  213   2HB   CYS  31          2HB       CYS  31  -3.241   2.410   8.328
  214    H    HIS  32           H        HIS  32  -2.372   0.625   6.981
  215    HA   HIS  32           HA       HIS  32  -3.208  -1.815   8.328
  216   1HB   HIS  32          1HB       HIS  32  -1.655  -3.198   7.038
  217   2HB   HIS  32          2HB       HIS  32  -2.938  -2.483   5.956
  218    HD1  HIS  32           HD1      HIS  32   0.676  -2.005   6.930
  219    HD2  HIS  32           HD2      HIS  32  -1.870  -1.253   3.691
  220    HE1  HIS  32           HE1      HIS  32   2.128  -1.234   5.051
  221    HE2  HIS  32           HE2      HIS  32   0.574  -0.795   3.068
  222    H    SER  33           H        SER  33  -1.729  -2.519   9.843
  223    HA   SER  33           HA       SER  33  -0.261  -0.484  10.966
  224   1HB   SER  33          1HB       SER  33  -0.146  -3.516  11.507
  225   2HB   SER  33          2HB       SER  33   0.496  -2.256  12.631
  226    HG   SER  33           HG       SER  33  -1.560  -1.412  12.812
  227    H    ALA  34           H        ALA  34   1.065  -3.034   8.861
  228    HA   ALA  34           HA       ALA  34   3.650  -2.882   9.631
  229   1HB   ALA  34          1HB       ALA  34   2.620  -3.209   6.750
  230   2HB   ALA  34          2HB       ALA  34   2.728  -4.516   7.996
  231   3HB   ALA  34          3HB       ALA  34   4.219  -3.749   7.365
  232    H    CYS  35           H        CYS  35   1.985  -0.336   7.928
  233    HA   CYS  35           HA       CYS  35   4.501   1.059   7.385
  234   1HB   CYS  35          1HB       CYS  35   3.342   2.476   5.939
  235   2HB   CYS  35          2HB       CYS  35   2.723   0.816   5.630
  236    H    ASP  36           H        ASP  36   4.607   3.420   8.062
  237    HA   ASP  36           HA       ASP  36   3.657   3.493  10.864
  238   1HB   ASP  36          1HB       ASP  36   5.998   5.052   9.623
  239   2HB   ASP  36          2HB       ASP  36   5.637   4.777  11.361
  240    HD2  ASP  36           HD2      ASP  36   7.625   3.876   9.110
  241    H    LYS  37           H        LYS  37   3.665   5.586   7.915
  242    HA   LYS  37           HA       LYS  37   1.839   7.342   9.390
  243   1HB   LYS  37          1HB       LYS  37   4.049   8.424   8.704
  244   2HB   LYS  37          2HB       LYS  37   3.657   8.030   7.020
  245   1HG   LYS  37          1HG       LYS  37   3.049  10.328   7.330
  246   2HG   LYS  37          2HG       LYS  37   1.510   9.424   7.248
  247   1HD   LYS  37          1HD       LYS  37   1.504   9.434   9.864
  248   2HD   LYS  37          2HD       LYS  37   2.974  10.448   9.770
  249   1HE   LYS  37          1HE       LYS  37   1.097  11.916  10.117
  250   2HE   LYS  37          2HE       LYS  37   1.621  12.160   8.405
  251   1HZ   LYS  37          1HZ       LYS  37  -0.149  10.586   7.778
  252   2HZ   LYS  37          2HZ       LYS  37  -0.727  11.995   8.535
  253   3HZ   LYS  37          3HZ       LYS  37  -0.667  10.534   9.395
  254    H    CYS  38           H        CYS  38  -0.231   7.003   8.748
  255    HA   CYS  38           HA       CYS  38  -0.805   6.743   5.894
  256   1HB   CYS  38          1HB       CYS  38  -0.484   4.527   7.143
  257   2HB   CYS  38          2HB       CYS  38  -1.709   5.084   8.332
  258    H    VAL  39           H        VAL  39  -2.686   7.691   5.273
  259    HA   VAL  39           HA       VAL  39  -4.162   9.213   7.316
  260    HB   VAL  39           HB       VAL  39  -3.235   9.747   4.449
  261   1HG1  VAL  39          1HG1      VAL  39  -5.001  11.433   6.331
  262   2HG1  VAL  39          2HG1      VAL  39  -5.482  10.714   4.725
  263   3HG1  VAL  39          3HG1      VAL  39  -4.240  12.014   4.792
  264   1HG2  VAL  39          1HG2      VAL  39  -2.590  11.093   7.155
  265   2HG2  VAL  39          2HG2      VAL  39  -2.032  11.686   5.547
  266   3HG2  VAL  39          3HG2      VAL  39  -1.439  10.099   6.179
  267    H    CYS  40           H        CYS  40  -6.451   8.931   7.074
  268    HA   CYS  40           HA       CYS  40  -7.427   7.496   4.722
  269   1HB   CYS  40          1HB       CYS  40  -6.637   5.964   6.510
  270   2HB   CYS  40          2HB       CYS  40  -7.755   6.745   7.673
  271    H    ALA  41           H        ALA  41  -9.578   7.776   4.329
  272    HA   ALA  41           HA       ALA  41 -11.195   9.595   5.929
  273   1HB   ALA  41          1HB       ALA  41  -9.436  11.076   4.832
  274   2HB   ALA  41          2HB       ALA  41 -11.062  11.378   4.112
  275   3HB   ALA  41          3HB       ALA  41  -9.847  10.335   3.246
  276    H    TYR  42           H        TYR  42 -13.132  10.116   5.064
  277    HA   TYR  42           HA       TYR  42 -14.390   7.827   4.073
  278   1HB   TYR  42          1HB       TYR  42 -16.471   9.124   4.858
  279   2HB   TYR  42          2HB       TYR  42 -15.127   9.033   6.054
  280    HD1  TYR  42           HD1      TYR  42 -16.696  11.346   3.484
  281    HD2  TYR  42           HD2      TYR  42 -14.043  11.022   6.866
  282    HE1  TYR  42           HE1      TYR  42 -16.503  13.794   3.578
  283    HE2  TYR  42           HE2      TYR  42 -13.815  13.436   6.907
  284    HH   TYR  42           HH       TYR  42 -14.378  15.374   6.006
  285    H    SER  43           H        SER  43 -13.018   9.792   2.294
  286    HA   SER  43           HA       SER  43 -14.549  11.509   0.909
  287   1HB   SER  43          1HB       SER  43 -12.059  10.068  -0.157
  288   2HB   SER  43          2HB       SER  43 -12.617  11.757  -0.568
  289    HG   SER  43           HG       SER  43 -11.018  11.877   0.934
  290    H    ASN  44           H        ASN  44 -14.203  11.473  -1.709
  291    HA   ASN  44           HA       ASN  44 -15.421   9.073  -2.831
  292   1HB   ASN  44          1HB       ASN  44 -17.192  10.623  -1.944
  293   2HB   ASN  44          2HB       ASN  44 -16.519  11.939  -2.919
  294   1HD2  ASN  44          1HD2      ASN  44 -17.988   8.577  -3.284
  295   2HD2  ASN  44          2HD2      ASN  44 -18.685   8.941  -4.810
  296    HA   PRO  45           HA       PRO  45 -14.362   7.825  -4.075
  297   1HB   PRO  45          1HB       PRO  45 -11.925   6.802  -4.858
  298   2HB   PRO  45          2HB       PRO  45 -13.103   7.383  -6.046
  299   1HG   PRO  45          1HG       PRO  45 -10.779   8.997  -4.842
  300   2HG   PRO  45          2HG       PRO  45 -11.136   8.751  -6.596
  301   1HD   PRO  45          1HD       PRO  45 -12.014  10.991  -5.206
  302   2HD   PRO  45          2HD       PRO  45 -13.063  10.216  -6.483
  303    HA   PRO  46           HA       PRO  46 -12.704   7.973  -0.003
  304   1HB   PRO  46          1HB       PRO  46 -12.841   5.351   0.876
  305   2HB   PRO  46          2HB       PRO  46 -14.303   6.377   0.586
  306   1HG   PRO  46          1HG       PRO  46 -13.055   4.366  -1.362
  307   2HG   PRO  46          2HG       PRO  46 -14.792   4.523  -0.822
  308   1HD   PRO  46          1HD       PRO  46 -13.831   5.614  -3.182
  309   2HD   PRO  46          2HD       PRO  46 -15.099   6.518  -2.124
  310    H    GLN  47           H        GLN  47 -10.731   7.547   1.311
  311    HA   GLN  47           HA       GLN  47  -8.559   6.765  -0.510
  312   1HB   GLN  47          1HB       GLN  47  -9.597   9.496   0.056
  313   2HB   GLN  47          2HB       GLN  47  -7.846   9.364   0.403
  314   1HG   GLN  47          1HG       GLN  47  -9.182   8.556  -2.226
  315   2HG   GLN  47          2HG       GLN  47  -8.395  10.148  -1.901
  316   1HE2  GLN  47          1HE2      GLN  47  -7.877   7.752  -3.677
  317   2HE2  GLN  47          2HE2      GLN  47  -6.136   7.545  -3.593
  318    H    CYS  48           H        CYS  48  -7.163   5.576   0.640
  319    HA   CYS  48           HA       CYS  48  -6.246   6.565   3.153
  320   1HB   CYS  48          1HB       CYS  48  -7.523   3.785   2.836
  321   2HB   CYS  48          2HB       CYS  48  -6.671   4.394   4.306
  322    H    GLN  49           H        GLN  49  -4.138   6.366   3.027
  323    HA   GLN  49           HA       GLN  49  -2.955   4.069   1.819
  324   1HB   GLN  49          1HB       GLN  49  -1.568   5.268   0.186
  325   2HB   GLN  49          2HB       GLN  49  -3.307   5.569  -0.181
  326   1HG   GLN  49          1HG       GLN  49  -3.159   7.808   0.793
  327   2HG   GLN  49          2HG       GLN  49  -1.463   7.484   1.353
  328   1HE2  GLN  49          1HE2      GLN  49  -0.091   8.619   0.131
  329   2HE2  GLN  49          2HE2      GLN  49  -0.034   8.585  -1.615
  330    H    CYS  50           H        CYS  50  -0.746   3.879   2.170
  331    HA   CYS  50           HA       CYS  50   0.164   5.115   4.659
  332   1HB   CYS  50          1HB       CYS  50   1.399   2.977   2.798
  333   2HB   CYS  50          2HB       CYS  50   2.161   3.533   4.298
  334    H    TYR  51           H        TYR  51   0.859   7.147   4.282
  335    HA   TYR  51           HA       TYR  51   1.893   8.117   1.853
  336   1HB   TYR  51          1HB       TYR  51   1.392   9.216   4.624
  337   2HB   TYR  51          2HB       TYR  51   2.744  10.007   3.771
  338    HD1  TYR  51           HD1      TYR  51  -0.933   9.346   3.651
  339    HD2  TYR  51           HD2      TYR  51   2.404  11.086   1.524
  340    HE1  TYR  51           HE1      TYR  51  -2.459  10.482   2.158
  341    HE2  TYR  51           HE2      TYR  51   0.894  12.179   0.030
  342    HH   TYR  51           HH       TYR  51  -2.672  11.637   0.238
  343    H    ASP  52           H        ASP  52   3.537   7.033   4.693
  344    HA   ASP  52           HA       ASP  52   6.127   7.742   3.733
  345   1HB   ASP  52          1HB       ASP  52   7.112   6.464   5.546
  346   2HB   ASP  52          2HB       ASP  52   5.734   7.435   6.122
  347    HD2  ASP  52           HD2      ASP  52   4.352   4.942   4.619
  348    H    THR  53           H        THR  53   7.092   7.053   1.980
  349    HA   THR  53           HA       THR  53   6.641   4.383   0.967
  350    HB   THR  53           HB       THR  53   8.139   6.822  -0.125
  351    HG1  THR  53           HG1      THR  53   6.355   7.110  -1.215
  352   1HG2  THR  53          1HG2      THR  53   8.083   5.566  -2.318
  353   2HG2  THR  53          2HG2      THR  53   7.634   4.063  -1.430
  354   3HG2  THR  53          3HG2      THR  53   9.221   4.879  -1.138
  355    H    HIS  54           H        HIS  54   8.011   2.641   1.481
  356    HA   HIS  54           HA       HIS  54  10.655   3.318   2.400
  357   1HB   HIS  54          1HB       HIS  54   9.242   3.851   4.406
  358   2HB   HIS  54          2HB       HIS  54   8.744   2.137   4.496
  359    HD1  HIS  54           HD1      HIS  54   9.923   2.773   6.864
  360    HD2  HIS  54           HD2      HIS  54  12.543   2.285   3.620
  361    HE1  HIS  54           HE1      HIS  54  12.195   2.441   7.812
  362    HE2  HIS  54           HE2      HIS  54  13.782   2.153   5.840
  363    H    LYS  55           H        LYS  55   8.513   0.404   2.975
  364    HA   LYS  55           HA       LYS  55  10.885  -1.096   2.629
  365   1HB   LYS  55          1HB       LYS  55   8.000  -1.976   3.193
  366   2HB   LYS  55          2HB       LYS  55   9.505  -2.930   3.516
  367   1HG   LYS  55          1HG       LYS  55   9.331  -2.214   5.605
  368   2HG   LYS  55          2HG       LYS  55   9.990  -0.651   5.032
  369   1HD   LYS  55          1HD       LYS  55   7.509   0.066   4.610
  370   2HD   LYS  55          2HD       LYS  55   7.028  -1.464   5.401
  371   1HE   LYS  55          1HE       LYS  55   8.663   0.813   6.726
  372   2HE   LYS  55          2HE       LYS  55   6.904   0.468   6.974
  373   1HZ   LYS  55          1HZ       LYS  55   8.156  -0.480   8.739
  374   2HZ   LYS  55          2HZ       LYS  55   9.194  -1.299   7.677
  375   3HZ   LYS  55          3HZ       LYS  55   7.564  -1.747   7.775
  376    H    PHE  56           H        PHE  56   9.690  -3.531   1.691
  377    HA   PHE  56           HA       PHE  56   9.912  -3.091  -1.136
  378   1HB   PHE  56          1HB       PHE  56   9.805  -5.598  -1.305
  379   2HB   PHE  56          2HB       PHE  56  11.088  -5.011  -0.212
  380    HD1  PHE  56           HD1      PHE  56   8.028  -6.966  -0.471
  381    HD2  PHE  56           HD2      PHE  56  10.741  -5.142   2.337
  382    HE1  PHE  56           HE1      PHE  56   7.068  -8.312   1.339
  383    HE2  PHE  56           HE2      PHE  56   9.747  -6.454   4.144
  384    HZ   PHE  56           HZ       PHE  56   7.889  -8.040   3.673
  385    H    CYS  57           H        CYS  57   8.286  -4.467  -2.616
  386    HA   CYS  57           HA       CYS  57   5.613  -3.521  -2.007
  387   1HB   CYS  57          1HB       CYS  57   6.585  -3.435  -4.320
  388   2HB   CYS  57          2HB       CYS  57   6.563  -5.221  -4.370
  389    H    TYR  58           H        TYR  58   4.529  -4.558  -0.569
  390    HA   TYR  58           HA       TYR  58   5.084  -7.152   0.341
  391   1HB   TYR  58          1HB       TYR  58   3.620  -5.043   1.371
  392   2HB   TYR  58          2HB       TYR  58   2.277  -6.071   0.789
  393    HD1  TYR  58           HD1      TYR  58   5.465  -6.098   2.797
  394    HD2  TYR  58           HD2      TYR  58   1.536  -7.816   2.285
  395    HE1  TYR  58           HE1      TYR  58   5.681  -7.264   4.929
  396    HE2  TYR  58           HE2      TYR  58   1.774  -8.997   4.365
  397    HH   TYR  58           HH       TYR  58   3.157  -9.520   6.117
  398    H    LYS  59           H        LYS  59   3.424  -8.837   0.662
  399    HA   LYS  59           HA       LYS  59   2.446 -10.057  -1.625
  400   1HB   LYS  59          1HB       LYS  59   1.541 -10.310   1.277
  401   2HB   LYS  59          2HB       LYS  59   0.972 -11.390  -0.035
  402   1HG   LYS  59          1HG       LYS  59   3.961 -11.163   0.781
  403   2HG   LYS  59          2HG       LYS  59   2.769 -12.292   1.475
  404   1HD   LYS  59          1HD       LYS  59   3.749 -13.630  -0.079
  405   2HD   LYS  59          2HD       LYS  59   2.312 -13.075  -0.988
  406   1HE   LYS  59          1HE       LYS  59   3.822 -11.412  -2.232
  407   2HE   LYS  59          2HE       LYS  59   5.218 -12.004  -1.255
  408   1HZ   LYS  59          1HZ       LYS  59   4.801 -14.207  -2.173
  409   2HZ   LYS  59          2HZ       LYS  59   5.139 -13.051  -3.371
  410   3HZ   LYS  59          3HZ       LYS  59   3.541 -13.583  -3.129
  411    H    ALA  60           H        ALA  60   0.471 -10.419  -2.535
  412    HA   ALA  60           HA       ALA  60  -1.322  -8.112  -2.345
  413   1HB   ALA  60          1HB       ALA  60  -0.166  -8.460  -4.474
  414   2HB   ALA  60          2HB       ALA  60  -1.924  -8.850  -4.683
  415   3HB   ALA  60          3HB       ALA  60  -0.700 -10.177  -4.504
  416    H    CYS  61           H        CYS  61  -3.100  -8.384  -1.233
  417    HA   CYS  61           HA       CYS  61  -4.396 -10.911  -0.944
  418   1HB   CYS  61          1HB       CYS  61  -6.005  -9.757   0.403
  419   2HB   CYS  61          2HB       CYS  61  -4.363  -9.193   0.839
  420    H    HIS  62           H        HIS  62  -7.001 -10.405  -1.197
  421    HA   HIS  62           HA       HIS  62  -7.490  -9.205  -3.841
  422   1HB   HIS  62          1HB       HIS  62  -9.026 -11.616  -2.678
  423   2HB   HIS  62          2HB       HIS  62  -9.097 -10.998  -4.365
  424    HD1  HIS  62           HD1      HIS  62  -6.736 -11.363  -5.712
  425    HD2  HIS  62           HD2      HIS  62  -7.034 -13.407  -2.069
  426    HE1  HIS  62           HE1      HIS  62  -4.911 -13.078  -5.694
  427    HE2  HIS  62           HE2      HIS  62  -5.082 -14.293  -3.465
  428    H    ASN  63           H        ASN  63  -9.951  -8.400  -3.808
  429    HA   ASN  63           HA       ASN  63 -11.428  -8.424  -1.548
  430   1HB   ASN  63          1HB       ASN  63 -11.364  -5.978  -0.884
  431   2HB   ASN  63          2HB       ASN  63  -9.984  -6.939  -0.317
  432   1HD2  ASN  63          1HD2      ASN  63  -7.837  -6.597  -1.568
  433   2HD2  ASN  63          2HD2      ASN  63  -7.699  -5.260  -2.646
  434    H    SER  64           H        SER  64 -10.530  -5.993  -3.949
  435    HA   SER  64           HA       SER  64 -13.265  -6.000  -5.033
  436   1HB   SER  64          1HB       SER  64 -11.902  -3.877  -4.642
  437   2HB   SER  64          2HB       SER  64 -10.832  -4.373  -5.990
  438    HG   SER  64           HG       SER  64 -12.393  -3.925  -7.385
  439    H    GLU  65           H        GLU  65 -10.031  -6.926  -5.887
  440    HA   GLU  65           HA       GLU  65 -10.316  -8.111  -8.348
  441   1HB   GLU  65          1HB       GLU  65  -8.240  -7.564  -7.015
  442   2HB   GLU  65          2HB       GLU  65  -8.510  -9.067  -6.077
  443   1HG   GLU  65          1HG       GLU  65  -7.927 -10.394  -8.130
  444   2HG   GLU  65          2HG       GLU  65  -7.976  -8.898  -9.135
  445    HE2  GLU  65           HE2      GLU  65  -5.130  -8.883  -6.263
  446    H    ILE  66           H        ILE  66 -12.650  -8.939  -7.086
  447    HA   ILE  66           HA       ILE  66 -12.714 -11.715  -7.838
  448    HB   ILE  66           HB       ILE  66 -14.004 -12.477  -5.834
  449   1HG1  ILE  66          1HG1      ILE  66 -12.824 -10.008  -4.412
  450   2HG1  ILE  66          2HG1      ILE  66 -14.535 -10.153  -4.927
  451   1HG2  ILE  66          1HG2      ILE  66 -12.062 -13.110  -4.503
  452   2HG2  ILE  66          2HG2      ILE  66 -11.108 -11.724  -5.146
  453   3HG2  ILE  66          3HG2      ILE  66 -11.580 -13.077  -6.238
  454   1HD1  ILE  66          1HD1      ILE  66 -14.788 -12.208  -3.471
  455   2HD1  ILE  66          2HD1      ILE  66 -14.382 -10.716  -2.553
  456   3HD1  ILE  66          3HD1      ILE  66 -13.108 -11.951  -2.861
  457    H    GLU  67           H        GLU  67 -15.139 -12.529  -7.895
  458    HA   GLU  67           HA       GLU  67 -17.128 -10.734  -7.359
  459   1HB   GLU  67          1HB       GLU  67 -18.098 -10.474  -9.594
  460   2HB   GLU  67          2HB       GLU  67 -16.466  -9.740  -9.569
  461   1HG   GLU  67          1HG       GLU  67 -16.455 -10.848 -11.637
  462   2HG   GLU  67          2HG       GLU  67 -15.624 -12.050 -10.583
  463    HE2  GLU  67           HE2      GLU  67 -17.956 -14.417 -11.332
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  -3.865 -20.344  13.640
    2   2H    GLY   1          2H        GLY   1  -3.257 -19.409  14.924
    3   3H    GLY   1          3H        GLY   1  -2.491 -20.858  14.502
    4   1HA   GLY   1          1HA       GLY   1  -1.282 -18.923  13.762
    5   2HA   GLY   1          2HA       GLY   1  -1.858 -19.976  12.401
    6    H    ASP   2           H        ASP   2  -2.374 -16.966  14.178
    7    HA   ASP   2           HA       ASP   2  -3.369 -15.663  11.826
    8   1HB   ASP   2          1HB       ASP   2  -5.481 -16.856  12.694
    9   2HB   ASP   2          2HB       ASP   2  -5.297 -15.964  14.242
   10    HD2  ASP   2           HD2      ASP   2  -6.757 -13.140  12.993
   11    H    ASP   3           H        ASP   3  -1.134 -15.085  12.821
   12    HA   ASP   3           HA       ASP   3  -1.470 -12.531  14.143
   13   1HB   ASP   3          1HB       ASP   3   0.239 -13.154  15.950
   14   2HB   ASP   3          2HB       ASP   3  -1.411 -13.827  16.138
   15    HD2  ASP   3           HD2      ASP   3   1.691 -14.587  14.927
   16    H    VAL   4           H        VAL   4  -0.937 -12.594  11.747
   17    HA   VAL   4           HA       VAL   4   1.927 -12.071  11.515
   18    HB   VAL   4           HB       VAL   4   1.188 -13.983  10.154
   19   1HG1  VAL   4          1HG1      VAL   4  -0.076 -13.550   8.033
   20   2HG1  VAL   4          2HG1      VAL   4  -0.438 -11.875   8.548
   21   3HG1  VAL   4          3HG1      VAL   4  -1.112 -13.271   9.469
   22   1HG2  VAL   4          1HG2      VAL   4   2.420 -13.221   8.124
   23   2HG2  VAL   4          2HG2      VAL   4   3.195 -12.588   9.617
   24   3HG2  VAL   4          3HG2      VAL   4   2.197 -11.505   8.585
   25    H    LYS   5           H        LYS   5   2.480 -10.014  10.879
   26    HA   LYS   5           HA       LYS   5   0.281  -8.126  10.483
   27   1HB   LYS   5          1HB       LYS   5   3.232  -7.719  11.218
   28   2HB   LYS   5          2HB       LYS   5   2.010  -6.420  11.072
   29   1HG   LYS   5          1HG       LYS   5   0.705  -7.598  12.981
   30   2HG   LYS   5          2HG       LYS   5   2.135  -8.660  13.180
   31   1HD   LYS   5          1HD       LYS   5   3.558  -6.493  13.345
   32   2HD   LYS   5          2HD       LYS   5   2.012  -5.590  13.460
   33   1HE   LYS   5          1HE       LYS   5   1.442  -6.934  15.560
   34   2HE   LYS   5          2HE       LYS   5   3.052  -7.760  15.412
   35   1HZ   LYS   5          1HZ       LYS   5   3.323  -5.983  16.865
   36   2HZ   LYS   5          2HZ       LYS   5   2.490  -4.888  15.869
   37   3HZ   LYS   5          3HZ       LYS   5   4.014  -5.467  15.401
   38    H    SER   6           H        SER   6   0.662  -9.738   8.484
   39    HA   SER   6           HA       SER   6   2.488  -8.945   6.471
   40   1HB   SER   6          1HB       SER   6   0.924 -10.014   4.826
   41   2HB   SER   6          2HB       SER   6   1.415 -11.068   6.204
   42    HG   SER   6           HG       SER   6  -0.904 -11.005   5.620
   43    H    ALA   7           H        ALA   7   2.570  -7.276   5.018
   44    HA   ALA   7           HA       ALA   7   0.355  -5.391   4.949
   45   1HB   ALA   7          1HB       ALA   7   1.872  -4.131   3.356
   46   2HB   ALA   7          2HB       ALA   7   3.076  -5.473   3.512
   47   3HB   ALA   7          3HB       ALA   7   2.642  -4.477   4.940
   48    H    CYS   8           H        CYS   8  -0.715  -4.831   2.897
   49    HA   CYS   8           HA       CYS   8  -0.402  -6.889   0.761
   50   1HB   CYS   8          1HB       CYS   8  -2.733  -6.785   0.223
   51   2HB   CYS   8          2HB       CYS   8  -2.576  -7.173   1.964
   52    H    CYS   9           H        CYS   9  -0.882  -6.105  -1.474
   53    HA   CYS   9           HA       CYS   9  -1.362  -3.320  -1.850
   54   1HB   CYS   9          1HB       CYS   9   1.135  -3.291  -1.268
   55   2HB   CYS   9          2HB       CYS   9   1.396  -4.475  -2.583
   56    H    ASP  10           H        ASP  10  -2.566  -3.296  -3.825
   57    HA   ASP  10           HA       ASP  10  -2.159  -5.448  -5.708
   58   1HB   ASP  10          1HB       ASP  10  -3.994  -3.104  -5.422
   59   2HB   ASP  10          2HB       ASP  10  -3.687  -3.570  -7.062
   60    HD2  ASP  10           HD2      ASP  10  -5.083  -4.814  -7.772
   61    H    THR  11           H        THR  11  -0.868  -2.187  -5.493
   62    HA   THR  11           HA       THR  11   0.548  -2.481  -8.058
   63    HB   THR  11           HB       THR  11  -1.333  -0.098  -7.548
   64    HG1  THR  11           HG1      THR  11  -2.790  -1.489  -8.026
   65   1HG2  THR  11          1HG2      THR  11   0.108  -1.135 -10.101
   66   2HG2  THR  11          2HG2      THR  11   0.576   0.334  -9.154
   67   3HG2  THR  11          3HG2      THR  11  -0.989   0.290 -10.003
   68    H    CYS  12           H        CYS  12   2.469  -1.421  -8.041
   69    HA   CYS  12           HA       CYS  12   2.981   0.692  -6.127
   70   1HB   CYS  12          1HB       CYS  12   4.544  -0.669  -4.888
   71   2HB   CYS  12          2HB       CYS  12   3.007  -1.622  -5.027
   72    H    LEU  13           H        LEU  13   5.235   1.265  -6.039
   73    HA   LEU  13           HA       LEU  13   6.620   1.051  -8.595
   74   1HB   LEU  13          1HB       LEU  13   4.862   2.744  -8.848
   75   2HB   LEU  13          2HB       LEU  13   5.462   3.642  -7.427
   76    HG   LEU  13           HG       LEU  13   7.322   3.023  -9.804
   77   1HD1  LEU  13          1HD1      LEU  13   5.210   3.861 -10.816
   78   2HD1  LEU  13          2HD1      LEU  13   6.541   5.055 -10.986
   79   3HD1  LEU  13          3HD1      LEU  13   5.249   5.310  -9.756
   80   1HD2  LEU  13          1HD2      LEU  13   7.084   5.499  -7.960
   81   2HD2  LEU  13          2HD2      LEU  13   8.302   5.263  -9.265
   82   3HD2  LEU  13          3HD2      LEU  13   8.330   4.209  -7.812
   83    H    CYS  14           H        CYS  14   8.637   0.926  -8.253
   84    HA   CYS  14           HA       CYS  14   9.738   1.505  -5.642
   85   1HB   CYS  14          1HB       CYS  14  10.901  -0.113  -7.914
   86   2HB   CYS  14          2HB       CYS  14  11.690   0.148  -6.353
   87    H    THR  15           H        THR  15  11.694   2.508  -5.194
   88    HA   THR  15           HA       THR  15  12.281   4.746  -6.921
   89    HB   THR  15           HB       THR  15  14.132   5.213  -5.380
   90    HG1  THR  15           HG1      THR  15  13.886   3.896  -3.327
   91   1HG2  THR  15          1HG2      THR  15  11.433   4.584  -3.969
   92   2HG2  THR  15          2HG2      THR  15  11.779   6.033  -4.988
   93   3HG2  THR  15          3HG2      THR  15  12.668   5.790  -3.437
   94    H    ARG  16           H        ARG  16  14.140   5.070  -8.142
   95    HA   ARG  16           HA       ARG  16  15.973   2.816  -8.483
   96   1HB   ARG  16          1HB       ARG  16  15.988   5.618  -9.695
   97   2HB   ARG  16          2HB       ARG  16  17.282   4.384  -9.934
   98   1HG   ARG  16          1HG       ARG  16  15.662   2.796 -10.889
   99   2HG   ARG  16          2HG       ARG  16  14.333   3.981 -10.658
  100   1HD   ARG  16          1HD       ARG  16  15.555   5.578 -12.269
  101   2HD   ARG  16          2HD       ARG  16  16.787   4.278 -12.534
  102    HE   ARG  16           HE       ARG  16  15.204   3.021 -13.750
  103   1HH1  ARG  16          1HH1      ARG  16  13.544   5.744 -12.122
  104   2HH1  ARG  16          2HH1      ARG  16  12.000   5.377 -12.815
  105   1HH2  ARG  16          1HH2      ARG  16  13.128   2.548 -14.633
  106   2HH2  ARG  16          2HH2      ARG  16  11.755   3.533 -14.245
  107    H    SER  17           H        SER  17  17.587   2.565  -6.971
  108    HA   SER  17           HA       SER  17  18.926   4.686  -5.695
  109   1HB   SER  17          1HB       SER  17  16.522   4.779  -4.603
  110   2HB   SER  17          2HB       SER  17  16.971   3.229  -3.835
  111    HG   SER  17           HG       SER  17  17.395   5.118  -2.580
  112    H    GLN  18           H        GLN  18  19.931   3.669  -3.585
  113    HA   GLN  18           HA       GLN  18  20.604   0.849  -3.913
  114   1HB   GLN  18          1HB       GLN  18  21.931   2.195  -5.588
  115   2HB   GLN  18          2HB       GLN  18  22.625   3.121  -4.239
  116   1HG   GLN  18          1HG       GLN  18  23.553   0.887  -3.311
  117   2HG   GLN  18          2HG       GLN  18  22.968   0.081  -4.806
  118   1HE2  GLN  18          1HE2      GLN  18  25.701   1.252  -3.443
  119   2HE2  GLN  18          2HE2      GLN  18  26.560   1.815  -4.861
  120    HA   PRO  19           HA       PRO  19  20.026  -0.495  -2.374
  121   1HB   PRO  19          1HB       PRO  19  18.649  -1.126  -0.052
  122   2HB   PRO  19          2HB       PRO  19  20.458  -1.323  -0.189
  123   1HG   PRO  19          1HG       PRO  19  18.922   1.075   0.980
  124   2HG   PRO  19          2HG       PRO  19  20.223   0.088   1.768
  125   1HD   PRO  19          1HD       PRO  19  20.742   2.440   0.409
  126   2HD   PRO  19          2HD       PRO  19  21.920   1.048   0.341
  127    HA   PRO  20           HA       PRO  20  16.252   1.229  -3.703
  128   1HB   PRO  20          1HB       PRO  20  14.572  -0.920  -4.107
  129   2HB   PRO  20          2HB       PRO  20  16.151  -0.795  -4.969
  130   1HG   PRO  20          1HG       PRO  20  15.602  -2.299  -2.341
  131   2HG   PRO  20          2HG       PRO  20  16.297  -2.975  -3.876
  132   1HD   PRO  20          1HD       PRO  20  17.903  -2.082  -1.837
  133   2HD   PRO  20          2HD       PRO  20  18.352  -1.736  -3.580
  134    H    THR  21           H        THR  21  13.789   1.389  -3.425
  135    HA   THR  21           HA       THR  21  12.710   0.671  -0.819
  136    HB   THR  21           HB       THR  21  12.039   3.493  -1.412
  137    HG1  THR  21           HG1      THR  21  14.752   2.982  -0.882
  138   1HG2  THR  21          1HG2      THR  21  12.805   3.798   0.966
  139   2HG2  THR  21          2HG2      THR  21  13.560   2.162   0.949
  140   3HG2  THR  21          3HG2      THR  21  11.771   2.336   0.842
  141    H    CYS  22           H        CYS  22  10.298   0.774  -0.917
  142    HA   CYS  22           HA       CYS  22   9.280   1.538  -3.558
  143   1HB   CYS  22          1HB       CYS  22  10.187  -1.005  -3.334
  144   2HB   CYS  22          2HB       CYS  22   8.641  -1.252  -2.504
  145    H    ARG  23           H        ARG  23   6.905   1.143  -3.684
  146    HA   ARG  23           HA       ARG  23   5.539   1.880  -1.197
  147   1HB   ARG  23          1HB       ARG  23   7.173   3.727  -1.875
  148   2HB   ARG  23          2HB       ARG  23   6.303   3.879  -3.419
  149   1HG   ARG  23          1HG       ARG  23   4.932   4.373  -0.685
  150   2HG   ARG  23          2HG       ARG  23   5.972   5.558  -1.507
  151   1HD   ARG  23          1HD       ARG  23   4.470   5.402  -3.576
  152   2HD   ARG  23          2HD       ARG  23   3.277   4.497  -2.529
  153    HE   ARG  23           HE       ARG  23   4.499   7.024  -1.501
  154   1HH1  ARG  23          1HH1      ARG  23   1.472   5.624  -2.898
  155   2HH1  ARG  23          2HH1      ARG  23   0.508   6.880  -2.225
  156   1HH2  ARG  23          1HH2      ARG  23   3.326   8.533  -0.761
  157   2HH2  ARG  23          2HH2      ARG  23   1.592   8.680  -0.961
  158    H    CYS  24           H        CYS  24   3.439   1.869  -1.374
  159    HA   CYS  24           HA       CYS  24   2.378   0.547  -3.754
  160   1HB   CYS  24          1HB       CYS  24   2.068  -0.414  -1.349
  161   2HB   CYS  24          2HB       CYS  24   0.957   0.963  -1.049
  162    H    VAL  25           H        VAL  25   1.607   1.887  -5.279
  163    HA   VAL  25           HA       VAL  25   0.724   4.506  -4.753
  164    HB   VAL  25           HB       VAL  25   0.406   4.748  -7.092
  165   1HG1  VAL  25          1HG1      VAL  25   2.771   4.347  -7.777
  166   2HG1  VAL  25          2HG1      VAL  25   2.998   3.133  -6.476
  167   3HG1  VAL  25          3HG1      VAL  25   2.725   4.861  -6.049
  168   1HG2  VAL  25          1HG2      VAL  25   0.820   2.890  -8.680
  169   2HG2  VAL  25          2HG2      VAL  25  -0.549   2.440  -7.624
  170   3HG2  VAL  25          3HG2      VAL  25   1.098   1.744  -7.345
  171    H    ASP  26           H        ASP  26  -0.640   1.416  -4.823
  172    HA   ASP  26           HA       ASP  26  -3.294   2.185  -5.484
  173   1HB   ASP  26          1HB       ASP  26  -1.971  -0.303  -5.277
  174   2HB   ASP  26          2HB       ASP  26  -3.093  -0.334  -3.876
  175    HD2  ASP  26           HD2      ASP  26  -5.889  -0.159  -6.044
  176    H    VAL  27           H        VAL  27  -5.173   1.845  -4.105
  177    HA   VAL  27           HA       VAL  27  -4.756   3.318  -1.585
  178    HB   VAL  27           HB       VAL  27  -5.618   4.205  -3.993
  179   1HG1  VAL  27          1HG1      VAL  27  -8.223   3.461  -2.524
  180   2HG1  VAL  27          2HG1      VAL  27  -7.593   2.660  -4.027
  181   3HG1  VAL  27          3HG1      VAL  27  -8.053   4.409  -4.043
  182   1HG2  VAL  27          1HG2      VAL  27  -6.754   6.062  -2.741
  183   2HG2  VAL  27          2HG2      VAL  27  -5.110   5.637  -2.145
  184   3HG2  VAL  27          3HG2      VAL  27  -6.568   5.102  -1.212
  185    H    ARG  28           H        ARG  28  -5.847   2.644   0.205
  186    HA   ARG  28           HA       ARG  28  -7.783   0.409  -0.187
  187   1HB   ARG  28          1HB       ARG  28  -5.702   0.909   1.988
  188   2HB   ARG  28          2HB       ARG  28  -6.943  -0.394   2.085
  189   1HG   ARG  28          1HG       ARG  28  -5.944  -1.651   0.320
  190   2HG   ARG  28          2HG       ARG  28  -4.989  -0.268  -0.297
  191   1HD   ARG  28          1HD       ARG  28  -4.520  -1.584   2.435
  192   2HD   ARG  28          2HD       ARG  28  -3.612  -1.959   0.890
  193    HE   ARG  28           HE       ARG  28  -3.625   0.882   1.330
  194   1HH1  ARG  28          1HH1      ARG  28  -2.161  -2.105   2.583
  195   2HH1  ARG  28          2HH1      ARG  28  -0.719  -1.332   3.175
  196   1HH2  ARG  28          1HH2      ARG  28  -1.710   1.925   2.146
  197   2HH2  ARG  28          2HH2      ARG  28  -0.477   0.992   2.944
  198    H    GLU  29           H        GLU  29  -9.467   0.274   1.368
  199    HA   GLU  29           HA       GLU  29 -10.232   2.486   2.952
  200   1HB   GLU  29          1HB       GLU  29 -10.915  -0.487   2.938
  201   2HB   GLU  29          2HB       GLU  29 -11.593   0.691   4.135
  202   1HG   GLU  29          1HG       GLU  29 -12.425   2.066   2.115
  203   2HG   GLU  29          2HG       GLU  29 -11.934   0.713   1.053
  204    HE2  GLU  29           HE2      GLU  29 -12.894  -1.209   1.363
  205    H    SER  30           H        SER  30  -8.827  -0.614   3.861
  206    HA   SER  30           HA       SER  30  -8.126   0.262   6.477
  207   1HB   SER  30          1HB       SER  30  -7.559  -2.500   5.257
  208   2HB   SER  30          2HB       SER  30  -7.484  -2.022   6.993
  209    HG   SER  30           HG       SER  30  -9.469  -2.944   6.657
  210    H    CYS  31           H        CYS  31  -6.325   0.892   7.301
  211    HA   CYS  31           HA       CYS  31  -3.845   0.390   5.775
  212   1HB   CYS  31          1HB       CYS  31  -4.723   2.788   6.077
  213   2HB   CYS  31          2HB       CYS  31  -4.260   2.618   7.829
  214    H    HIS  32           H        HIS  32  -1.881   0.402   7.333
  215    HA   HIS  32           HA       HIS  32  -2.495  -1.818   9.196
  216   1HB   HIS  32          1HB       HIS  32  -1.509  -2.276   6.935
  217   2HB   HIS  32          2HB       HIS  32   0.023  -1.463   7.470
  218    HD1  HIS  32           HD1      HIS  32  -2.396  -4.144   8.598
  219    HD2  HIS  32           HD2      HIS  32   1.749  -3.660   8.160
  220    HE1  HIS  32           HE1      HIS  32  -1.340  -6.274   9.309
  221    HE2  HIS  32           HE2      HIS  32   1.189  -5.962   9.003
  222    H    SER  33           H        SER  33  -1.025  -2.222  10.895
  223    HA   SER  33           HA       SER  33  -0.126  -0.184  12.409
  224   1HB   SER  33          1HB       SER  33   1.058  -3.033  12.325
  225   2HB   SER  33          2HB       SER  33   1.120  -1.937  13.747
  226    HG   SER  33           HG       SER  33  -1.152  -2.040  13.849
  227    H    ALA  34           H        ALA  34   1.575  -1.623   9.794
  228    HA   ALA  34           HA       ALA  34   4.163  -0.770  10.290
  229   1HB   ALA  34          1HB       ALA  34   3.494  -2.536   8.633
  230   2HB   ALA  34          2HB       ALA  34   4.500  -1.280   7.862
  231   3HB   ALA  34          3HB       ALA  34   2.723  -1.278   7.593
  232    H    CYS  35           H        CYS  35   1.397   1.043   9.169
  233    HA   CYS  35           HA       CYS  35   3.171   3.237   8.262
  234   1HB   CYS  35          1HB       CYS  35   1.548   2.354   6.582
  235   2HB   CYS  35          2HB       CYS  35   0.203   2.867   7.697
  236    H    ASP  36           H        ASP  36   3.501   4.707   9.779
  237    HA   ASP  36           HA       ASP  36   1.706   5.263  11.922
  238   1HB   ASP  36          1HB       ASP  36   3.368   6.950  12.569
  239   2HB   ASP  36          2HB       ASP  36   4.200   5.437  12.090
  240    HD2  ASP  36           HD2      ASP  36   5.208   5.424   9.999
  241    H    LYS  37           H        LYS  37   2.589   7.034   8.959
  242    HA   LYS  37           HA       LYS  37   0.572   9.075   9.507
  243   1HB   LYS  37          1HB       LYS  37   3.108   9.452   9.103
  244   2HB   LYS  37          2HB       LYS  37   2.806   9.059   7.401
  245   1HG   LYS  37          1HG       LYS  37   1.216  11.013   7.254
  246   2HG   LYS  37          2HG       LYS  37   1.440  11.301   9.011
  247   1HD   LYS  37          1HD       LYS  37   3.956  11.554   8.607
  248   2HD   LYS  37          2HD       LYS  37   3.655  11.431   6.845
  249   1HE   LYS  37          1HE       LYS  37   2.253  13.558   6.971
  250   2HE   LYS  37          2HE       LYS  37   2.636  13.655   8.742
  251   1HZ   LYS  37          1HZ       LYS  37   4.544  13.745   6.470
  252   2HZ   LYS  37          2HZ       LYS  37   4.999  13.618   8.099
  253   3HZ   LYS  37          3HZ       LYS  37   4.154  14.990   7.560
  254    H    CYS  38           H        CYS  38  -0.923   7.045   8.881
  255    HA   CYS  38           HA       CYS  38  -1.261   6.922   6.001
  256   1HB   CYS  38          1HB       CYS  38  -1.486   5.071   7.913
  257   2HB   CYS  38          2HB       CYS  38  -3.205   5.608   7.903
  258    H    VAL  39           H        VAL  39  -2.201   8.478   4.920
  259    HA   VAL  39           HA       VAL  39  -3.967  10.263   6.303
  260    HB   VAL  39           HB       VAL  39  -1.787  10.818   5.289
  261   1HG1  VAL  39          1HG1      VAL  39  -1.632  11.298   2.917
  262   2HG1  VAL  39          2HG1      VAL  39  -3.239  10.566   2.599
  263   3HG1  VAL  39          3HG1      VAL  39  -1.867   9.524   3.175
  264   1HG2  VAL  39          1HG2      VAL  39  -2.546  12.928   4.380
  265   2HG2  VAL  39          2HG2      VAL  39  -3.514  12.500   5.853
  266   3HG2  VAL  39          3HG2      VAL  39  -4.239  12.313   4.187
  267    H    CYS  40           H        CYS  40  -6.089   9.536   6.329
  268    HA   CYS  40           HA       CYS  40  -7.191   8.241   3.983
  269   1HB   CYS  40          1HB       CYS  40  -8.392   8.649   6.701
  270   2HB   CYS  40          2HB       CYS  40  -9.094   7.734   5.369
  271    H    ALA  41           H        ALA  41  -8.256   9.205   2.504
  272    HA   ALA  41           HA       ALA  41  -9.712  11.690   2.875
  273   1HB   ALA  41          1HB       ALA  41  -8.655  11.319   0.689
  274   2HB   ALA  41          2HB       ALA  41 -10.446  11.487   0.591
  275   3HB   ALA  41          3HB       ALA  41  -9.674   9.851   0.457
  276    H    TYR  42           H        TYR  42 -11.932  11.887   2.920
  277    HA   TYR  42           HA       TYR  42 -13.186   9.817   4.388
  278   1HB   TYR  42          1HB       TYR  42 -14.931  11.521   4.805
  279   2HB   TYR  42          2HB       TYR  42 -13.268  12.175   5.024
  280    HD1  TYR  42           HD1      TYR  42 -12.525  14.071   3.684
  281    HD2  TYR  42           HD2      TYR  42 -16.165  12.030   2.601
  282    HE1  TYR  42           HE1      TYR  42 -13.112  15.891   2.178
  283    HE2  TYR  42           HE2      TYR  42 -16.704  13.820   1.035
  284    HH   TYR  42           HH       TYR  42 -14.723  16.783   0.799
  285    H    SER  43           H        SER  43 -12.891   9.885   1.298
  286    HA   SER  43           HA       SER  43 -15.196  10.251  -0.018
  287   1HB   SER  43          1HB       SER  43 -13.010   8.327  -0.915
  288   2HB   SER  43          2HB       SER  43 -14.066   9.410  -1.957
  289    HG   SER  43           HG       SER  43 -12.007  10.288  -1.688
  290    H    ASN  44           H        ASN  44 -15.321   7.965  -1.873
  291    HA   ASN  44           HA       ASN  44 -17.018   6.156  -0.348
  292   1HB   ASN  44          1HB       ASN  44 -18.135   8.332  -1.026
  293   2HB   ASN  44          2HB       ASN  44 -17.839   7.942  -2.734
  294   1HD2  ASN  44          1HD2      ASN  44 -18.803   5.550  -3.324
  295   2HD2  ASN  44          2HD2      ASN  44 -20.342   5.218  -2.633
  296    HA   PRO  45           HA       PRO  45 -16.424   4.252   0.018
  297   1HB   PRO  45          1HB       PRO  45 -14.717   2.097  -0.048
  298   2HB   PRO  45          2HB       PRO  45 -16.310   2.006  -0.791
  299   1HG   PRO  45          1HG       PRO  45 -13.662   2.663  -2.205
  300   2HG   PRO  45          2HG       PRO  45 -14.880   1.432  -2.693
  301   1HD   PRO  45          1HD       PRO  45 -14.808   4.017  -3.757
  302   2HD   PRO  45          2HD       PRO  45 -16.376   3.129  -3.530
  303    HA   PRO  46           HA       PRO  46 -13.202   6.711   1.378
  304   1HB   PRO  46          1HB       PRO  46 -12.251   5.665   3.792
  305   2HB   PRO  46          2HB       PRO  46 -13.872   6.442   3.587
  306   1HG   PRO  46          1HG       PRO  46 -13.220   3.458   3.486
  307   2HG   PRO  46          2HG       PRO  46 -14.521   4.313   4.413
  308   1HD   PRO  46          1HD       PRO  46 -15.046   3.106   2.001
  309   2HD   PRO  46          2HD       PRO  46 -15.787   4.785   2.412
  310    H    GLN  47           H        GLN  47 -10.828   7.122   1.683
  311    HA   GLN  47           HA       GLN  47  -9.363   4.990   0.238
  312   1HB   GLN  47          1HB       GLN  47  -9.361   7.989  -0.419
  313   2HB   GLN  47          2HB       GLN  47  -8.487   6.699  -1.314
  314   1HG   GLN  47          1HG       GLN  47 -11.567   6.743  -1.170
  315   2HG   GLN  47          2HG       GLN  47 -10.662   7.811  -2.285
  316   1HE2  GLN  47          1HE2      GLN  47 -11.257   4.405  -1.468
  317   2HE2  GLN  47          2HE2      GLN  47 -10.878   3.815  -3.086
  318    H    CYS  48           H        CYS  48  -7.268   4.822   0.962
  319    HA   CYS  48           HA       CYS  48  -6.174   7.006   2.555
  320   1HB   CYS  48          1HB       CYS  48  -7.736   5.294   3.865
  321   2HB   CYS  48          2HB       CYS  48  -6.392   4.163   3.660
  322    H    GLN  49           H        GLN  49  -4.118   7.158   2.535
  323    HA   GLN  49           HA       GLN  49  -2.549   5.131   1.105
  324   1HB   GLN  49          1HB       GLN  49  -2.799   8.158   0.750
  325   2HB   GLN  49          2HB       GLN  49  -1.281   7.292   0.236
  326   1HG   GLN  49          1HG       GLN  49  -2.739   5.795  -1.229
  327   2HG   GLN  49          2HG       GLN  49  -4.134   6.852  -0.765
  328   1HE2  GLN  49          1HE2      GLN  49  -4.603   8.102  -2.465
  329   2HE2  GLN  49          2HE2      GLN  49  -3.456   8.916  -3.499
  330    H    CYS  50           H        CYS  50  -0.475   4.887   1.770
  331    HA   CYS  50           HA       CYS  50   0.184   6.114   4.386
  332   1HB   CYS  50          1HB       CYS  50   0.616   3.596   3.951
  333   2HB   CYS  50          2HB       CYS  50   1.851   4.120   2.766
  334    H    TYR  51           H        TYR  51   1.223   7.897   4.505
  335    HA   TYR  51           HA       TYR  51   1.952   9.489   2.428
  336   1HB   TYR  51          1HB       TYR  51   1.515   9.874   4.993
  337   2HB   TYR  51          2HB       TYR  51   3.253   9.640   5.215
  338    HD1  TYR  51           HD1      TYR  51   0.569  11.901   4.280
  339    HD2  TYR  51           HD2      TYR  51   4.826  11.199   3.817
  340    HE1  TYR  51           HE1      TYR  51   0.889  14.192   3.674
  341    HE2  TYR  51           HE2      TYR  51   5.147  13.488   3.223
  342    HH   TYR  51           HH       TYR  51   4.242  15.500   2.944
  343    H    ASP  52           H        ASP  52   4.030   7.443   4.344
  344    HA   ASP  52           HA       ASP  52   6.412   8.065   2.767
  345   1HB   ASP  52          1HB       ASP  52   7.654   7.049   4.654
  346   2HB   ASP  52          2HB       ASP  52   6.540   8.359   5.162
  347    HD2  ASP  52           HD2      ASP  52   5.270   6.497   7.560
  348    H    THR  53           H        THR  53   8.035   6.306   2.470
  349    HA   THR  53           HA       THR  53   7.051   4.348   0.742
  350    HB   THR  53           HB       THR  53   9.431   3.287   0.999
  351    HG1  THR  53           HG1      THR  53   9.904   4.353   3.001
  352   1HG2  THR  53          1HG2      THR  53   9.031   6.224   0.101
  353   2HG2  THR  53          2HG2      THR  53   8.744   4.763  -0.904
  354   3HG2  THR  53          3HG2      THR  53  10.406   5.159  -0.348
  355    H    HIS  54           H        HIS  54   7.377   1.971   0.852
  356    HA   HIS  54           HA       HIS  54   6.302   1.114   3.493
  357   1HB   HIS  54          1HB       HIS  54   5.755  -0.090   0.733
  358   2HB   HIS  54          2HB       HIS  54   5.366  -0.907   2.308
  359    HD1  HIS  54           HD1      HIS  54   4.787   2.631   0.984
  360    HD2  HIS  54           HD2      HIS  54   2.617  -0.659   2.428
  361    HE1  HIS  54           HE1      HIS  54   2.371   3.220   0.795
  362    HE2  HIS  54           HE2      HIS  54   1.062   1.220   1.686
  363    H    LYS  55           H        LYS  55   7.701  -1.166   1.123
  364    HA   LYS  55           HA       LYS  55  10.260  -1.092   2.206
  365   1HB   LYS  55          1HB       LYS  55  10.092  -3.535   3.043
  366   2HB   LYS  55          2HB       LYS  55   9.404  -2.258   4.073
  367   1HG   LYS  55          1HG       LYS  55   7.080  -2.779   3.069
  368   2HG   LYS  55          2HG       LYS  55   7.800  -4.294   2.433
  369   1HD   LYS  55          1HD       LYS  55   7.743  -3.376   5.389
  370   2HD   LYS  55          2HD       LYS  55   6.622  -4.536   4.611
  371   1HE   LYS  55          1HE       LYS  55   8.550  -6.090   4.137
  372   2HE   LYS  55          2HE       LYS  55   9.649  -4.973   5.047
  373   1HZ   LYS  55          1HZ       LYS  55   7.206  -6.305   6.103
  374   2HZ   LYS  55          2HZ       LYS  55   8.205  -5.247   6.966
  375   3HZ   LYS  55          3HZ       LYS  55   8.814  -6.743   6.438
  376    H    PHE  56           H        PHE  56   8.826  -4.024   1.100
  377    HA   PHE  56           HA       PHE  56   9.312  -3.377  -1.733
  378   1HB   PHE  56          1HB       PHE  56   9.451  -5.948  -1.987
  379   2HB   PHE  56          2HB       PHE  56  10.819  -5.131  -1.180
  380    HD1  PHE  56           HD1      PHE  56   7.777  -7.203  -0.631
  381    HD2  PHE  56           HD2      PHE  56  11.337  -5.560   1.152
  382    HE1  PHE  56           HE1      PHE  56   7.525  -8.709   1.298
  383    HE2  PHE  56           HE2      PHE  56  11.074  -7.070   3.067
  384    HZ   PHE  56           HZ       PHE  56   9.171  -8.663   3.148
  385    H    CYS  57           H        CYS  57   7.671  -5.107  -3.053
  386    HA   CYS  57           HA       CYS  57   5.040  -4.192  -2.177
  387   1HB   CYS  57          1HB       CYS  57   5.888  -5.611  -4.730
  388   2HB   CYS  57          2HB       CYS  57   4.282  -4.883  -4.396
  389    H    TYR  58           H        TYR  58   3.377  -5.442  -1.640
  390    HA   TYR  58           HA       TYR  58   3.940  -8.288  -1.043
  391   1HB   TYR  58          1HB       TYR  58   2.229  -6.125   0.258
  392   2HB   TYR  58          2HB       TYR  58   1.688  -7.806   0.390
  393    HD1  TYR  58           HD1      TYR  58   4.704  -5.632   0.959
  394    HD2  TYR  58           HD2      TYR  58   2.699  -9.311   1.985
  395    HE1  TYR  58           HE1      TYR  58   6.327  -6.052   2.728
  396    HE2  TYR  58           HE2      TYR  58   4.279  -9.693   3.750
  397    HH   TYR  58           HH       TYR  58   5.979  -8.722   5.034
  398    H    LYS  59           H        LYS  59   2.047  -9.617  -0.993
  399    HA   LYS  59           HA       LYS  59   0.757 -10.087  -3.350
  400   1HB   LYS  59          1HB       LYS  59   0.029 -10.718  -0.459
  401   2HB   LYS  59          2HB       LYS  59  -0.839 -11.439  -1.855
  402   1HG   LYS  59          1HG       LYS  59   1.083 -12.636  -2.617
  403   2HG   LYS  59          2HG       LYS  59   2.218 -11.786  -1.546
  404   1HD   LYS  59          1HD       LYS  59  -0.083 -13.540  -0.481
  405   2HD   LYS  59          2HD       LYS  59   1.571 -14.139  -0.836
  406   1HE   LYS  59          1HE       LYS  59   2.555 -12.511   0.794
  407   2HE   LYS  59          2HE       LYS  59   0.893 -11.948   1.240
  408   1HZ   LYS  59          1HZ       LYS  59   1.929 -14.721   1.487
  409   2HZ   LYS  59          2HZ       LYS  59   0.378 -14.188   1.929
  410   3HZ   LYS  59          3HZ       LYS  59   1.751 -13.594   2.744
  411    H    ALA  60           H        ALA  60  -1.483 -10.043  -3.921
  412    HA   ALA  60           HA       ALA  60  -2.525  -7.433  -3.741
  413   1HB   ALA  60          1HB       ALA  60  -3.829 -10.021  -4.775
  414   2HB   ALA  60          2HB       ALA  60  -2.689  -9.018  -5.713
  415   3HB   ALA  60          3HB       ALA  60  -4.291  -8.328  -5.238
  416    H    CYS  61           H        CYS  61  -4.453  -6.642  -3.024
  417    HA   CYS  61           HA       CYS  61  -5.181  -7.842  -0.439
  418   1HB   CYS  61          1HB       CYS  61  -4.233  -5.357  -0.980
  419   2HB   CYS  61          2HB       CYS  61  -5.952  -4.984  -1.152
  420    H    HIS  62           H        HIS  62  -6.414  -9.080  -2.521
  421    HA   HIS  62           HA       HIS  62  -9.016  -7.861  -2.997
  422   1HB   HIS  62          1HB       HIS  62  -8.036 -10.630  -3.796
  423   2HB   HIS  62          2HB       HIS  62  -9.575  -9.840  -4.285
  424    HD1  HIS  62           HD1      HIS  62  -8.228 -10.574  -6.565
  425    HD2  HIS  62           HD2      HIS  62  -7.059  -7.022  -4.650
  426    HE1  HIS  62           HE1      HIS  62  -7.101  -9.142  -8.289
  427    HE2  HIS  62           HE2      HIS  62  -6.385  -7.013  -7.099
  428    H    ASN  63           H        ASN  63  -9.722  -7.681  -0.848
  429    HA   ASN  63           HA       ASN  63 -10.276  -9.815   0.890
  430   1HB   ASN  63          1HB       ASN  63 -11.717  -8.015   2.066
  431   2HB   ASN  63          2HB       ASN  63  -9.969  -7.743   1.973
  432   1HD2  ASN  63          1HD2      ASN  63  -9.176  -5.969   0.406
  433   2HD2  ASN  63          2HD2      ASN  63 -10.336  -4.847  -0.183
  434    H    SER  64           H        SER  64 -12.405  -7.781  -0.970
  435    HA   SER  64           HA       SER  64 -14.642  -9.718  -0.736
  436   1HB   SER  64          1HB       SER  64 -14.481  -6.777  -1.631
  437   2HB   SER  64          2HB       SER  64 -16.001  -7.739  -1.709
  438    HG   SER  64           HG       SER  64 -15.970  -7.915   0.530
  439    H    GLU  65           H        GLU  65 -13.873 -11.270  -2.369
  440    HA   GLU  65           HA       GLU  65 -13.253 -10.483  -4.998
  441   1HB   GLU  65          1HB       GLU  65 -13.138 -12.962  -3.686
  442   2HB   GLU  65          2HB       GLU  65 -14.355 -13.237  -4.922
  443   1HG   GLU  65          1HG       GLU  65 -12.300 -13.875  -5.875
  444   2HG   GLU  65          2HG       GLU  65 -12.756 -12.332  -6.680
  445    HE2  GLU  65           HE2      GLU  65  -9.876 -12.118  -3.831
  446    H    ILE  66           H        ILE  66 -16.273 -12.222  -4.184
  447    HA   ILE  66           HA       ILE  66 -17.570 -10.908  -6.417
  448    HB   ILE  66           HB       ILE  66 -17.702 -13.308  -6.235
  449   1HG1  ILE  66          1HG1      ILE  66 -20.381 -11.809  -6.027
  450   2HG1  ILE  66          2HG1      ILE  66 -19.268 -11.724  -7.435
  451   1HG2  ILE  66          1HG2      ILE  66 -17.938 -13.579  -3.740
  452   2HG2  ILE  66          2HG2      ILE  66 -19.227 -14.402  -4.670
  453   3HG2  ILE  66          3HG2      ILE  66 -19.604 -12.860  -3.847
  454   1HD1  ILE  66          1HD1      ILE  66 -20.683 -14.275  -6.395
  455   2HD1  ILE  66          2HD1      ILE  66 -19.467 -14.235  -7.727
  456   3HD1  ILE  66          3HD1      ILE  66 -21.033 -13.370  -7.910
  457    H    GLU  67           H        GLU  67 -17.700 -11.152  -2.846
  458    HA   GLU  67           HA       GLU  67 -18.466  -8.494  -2.669
  459   1HB   GLU  67          1HB       GLU  67 -20.369  -8.783  -1.153
  460   2HB   GLU  67          2HB       GLU  67 -20.759  -9.613  -2.686
  461   1HG   GLU  67          1HG       GLU  67 -21.281 -11.458  -1.495
  462   2HG   GLU  67          2HG       GLU  67 -19.531 -11.704  -1.194
  463    HE2  GLU  67           HE2      GLU  67 -18.959  -9.718   0.582
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1   5.209 -21.877  10.218
    2   2H    GLY   1          2H        GLY   1   3.567 -21.452  10.274
    3   3H    GLY   1          3H        GLY   1   4.366 -21.924  11.699
    4   1HA   GLY   1          1HA       GLY   1   5.638 -20.016  11.781
    5   2HA   GLY   1          2HA       GLY   1   5.134 -19.596  10.089
    6    H    ASP   2           H        ASP   2   4.232 -17.600  10.502
    7    HA   ASP   2           HA       ASP   2   1.519 -17.698  11.479
    8   1HB   ASP   2          1HB       ASP   2   1.761 -15.903  13.199
    9   2HB   ASP   2          2HB       ASP   2   2.746 -17.340  13.620
   10    HD2  ASP   2           HD2      ASP   2   5.060 -14.821  14.246
   11    H    ASP   3           H        ASP   3   0.407 -15.557  11.117
   12    HA   ASP   3           HA       ASP   3   1.781 -13.740   9.298
   13   1HB   ASP   3          1HB       ASP   3   0.386 -15.382   7.963
   14   2HB   ASP   3          2HB       ASP   3  -1.070 -14.897   8.892
   15    HD2  ASP   3           HD2      ASP   3  -2.062 -13.174   8.283
   16    H    VAL   4           H        VAL   4   1.784 -11.851  10.314
   17    HA   VAL   4           HA       VAL   4  -0.285 -11.279  12.321
   18    HB   VAL   4           HB       VAL   4   1.745 -10.200  13.621
   19   1HG1  VAL   4          1HG1      VAL   4   1.784 -12.283  14.978
   20   2HG1  VAL   4          2HG1      VAL   4   1.026 -13.210  13.634
   21   3HG1  VAL   4          3HG1      VAL   4   0.110 -11.899  14.461
   22   1HG2  VAL   4          1HG2      VAL   4   3.093 -12.667  12.298
   23   2HG2  VAL   4          2HG2      VAL   4   3.738 -11.639  13.603
   24   3HG2  VAL   4          3HG2      VAL   4   3.581 -10.961  11.956
   25    H    LYS   5           H        LYS   5   2.532  -9.200  11.344
   26    HA   LYS   5           HA       LYS   5   0.586  -7.082  11.242
   27   1HB   LYS   5          1HB       LYS   5   3.653  -7.030  11.224
   28   2HB   LYS   5          2HB       LYS   5   2.586  -5.610  11.424
   29   1HG   LYS   5          1HG       LYS   5   2.894  -7.950  13.417
   30   2HG   LYS   5          2HG       LYS   5   3.612  -6.315  13.542
   31   1HD   LYS   5          1HD       LYS   5   1.317  -5.300  13.671
   32   2HD   LYS   5          2HD       LYS   5   0.579  -6.934  13.520
   33   1HE   LYS   5          1HE       LYS   5   0.601  -6.224  15.884
   34   2HE   LYS   5          2HE       LYS   5   1.695  -7.650  15.658
   35   1HZ   LYS   5          1HZ       LYS   5   2.664  -5.920  17.026
   36   2HZ   LYS   5          2HZ       LYS   5   2.545  -4.803  15.749
   37   3HZ   LYS   5          3HZ       LYS   5   3.559  -6.158  15.601
   38    H    SER   6           H        SER   6   0.210  -8.533   9.240
   39    HA   SER   6           HA       SER   6   1.601  -8.217   6.869
   40   1HB   SER   6          1HB       SER   6  -1.439  -8.569   7.160
   41   2HB   SER   6          2HB       SER   6  -0.463  -8.925   5.681
   42    HG   SER   6           HG       SER   6  -0.832 -10.790   6.999
   43    H    ALA   7           H        ALA   7   1.750  -6.780   5.208
   44    HA   ALA   7           HA       ALA   7  -0.340  -4.734   4.948
   45   1HB   ALA   7          1HB       ALA   7   2.370  -5.144   3.521
   46   2HB   ALA   7          2HB       ALA   7   2.098  -3.969   4.847
   47   3HB   ALA   7          3HB       ALA   7   1.261  -3.736   3.253
   48    H    CYS   8           H        CYS   8  -1.572  -4.718   3.072
   49    HA   CYS   8           HA       CYS   8  -1.109  -6.945   1.210
   50   1HB   CYS   8          1HB       CYS   8  -3.311  -7.217   0.833
   51   2HB   CYS   8          2HB       CYS   8  -3.367  -6.679   2.524
   52    H    CYS   9           H        CYS   9  -0.824  -6.614  -0.989
   53    HA   CYS   9           HA       CYS   9  -0.582  -3.818  -1.887
   54   1HB   CYS   9          1HB       CYS   9   1.484  -4.801  -0.716
   55   2HB   CYS   9          2HB       CYS   9   1.507  -6.093  -1.923
   56    H    ASP  10           H        ASP  10  -2.038  -3.933  -3.666
   57    HA   ASP  10           HA       ASP  10  -1.857  -6.177  -5.475
   58   1HB   ASP  10          1HB       ASP  10  -3.968  -4.831  -4.806
   59   2HB   ASP  10          2HB       ASP  10  -3.359  -3.517  -5.819
   60    HD2  ASP  10           HD2      ASP  10  -4.904  -4.991  -8.474
   61    H    THR  11           H        THR  11  -0.491  -2.924  -5.323
   62    HA   THR  11           HA       THR  11   0.665  -3.027  -8.001
   63    HB   THR  11           HB       THR  11  -1.179  -0.730  -7.062
   64    HG1  THR  11           HG1      THR  11  -1.880  -2.753  -8.909
   65   1HG2  THR  11          1HG2      THR  11  -0.079  -1.489  -9.857
   66   2HG2  THR  11          2HG2      THR  11   0.452  -0.095  -8.841
   67   3HG2  THR  11          3HG2      THR  11  -1.210  -0.135  -9.497
   68    H    CYS  12           H        CYS  12   2.514  -1.755  -8.060
   69    HA   CYS  12           HA       CYS  12   3.229  -0.182  -5.736
   70   1HB   CYS  12          1HB       CYS  12   5.058  -1.798  -5.261
   71   2HB   CYS  12          2HB       CYS  12   3.426  -2.606  -5.179
   72    H    LEU  13           H        LEU  13   5.319   0.651  -5.797
   73    HA   LEU  13           HA       LEU  13   6.522   1.092  -8.430
   74   1HB   LEU  13          1HB       LEU  13   4.604   2.603  -8.236
   75   2HB   LEU  13          2HB       LEU  13   5.062   3.082  -6.578
   76    HG   LEU  13           HG       LEU  13   6.970   3.633  -8.915
   77   1HD1  LEU  13          1HD1      LEU  13   4.460   5.270  -8.214
   78   2HD1  LEU  13          2HD1      LEU  13   4.750   4.350  -9.735
   79   3HD1  LEU  13          3HD1      LEU  13   5.766   5.791  -9.342
   80   1HD2  LEU  13          1HD2      LEU  13   6.264   5.223  -6.351
   81   2HD2  LEU  13          2HD2      LEU  13   7.466   5.717  -7.594
   82   3HD2  LEU  13          3HD2      LEU  13   7.762   4.254  -6.600
   83    H    CYS  14           H        CYS  14   8.618   1.697  -8.228
   84    HA   CYS  14           HA       CYS  14   9.818   1.845  -5.575
   85   1HB   CYS  14          1HB       CYS  14  10.296  -0.286  -7.730
   86   2HB   CYS  14          2HB       CYS  14  11.504   0.057  -6.477
   87    H    THR  15           H        THR  15  11.661   2.907  -5.477
   88    HA   THR  15           HA       THR  15  12.350   4.504  -7.789
   89    HB   THR  15           HB       THR  15  14.097   5.475  -6.338
   90    HG1  THR  15           HG1      THR  15  14.399   3.510  -5.128
   91   1HG2  THR  15          1HG2      THR  15  11.715   6.312  -6.340
   92   2HG2  THR  15          2HG2      THR  15  12.515   6.519  -4.733
   93   3HG2  THR  15          3HG2      THR  15  11.319   5.201  -4.982
   94    H    ARG  16           H        ARG  16  14.169   4.437  -9.095
   95    HA   ARG  16           HA       ARG  16  16.242   2.493  -8.497
   96   1HB   ARG  16          1HB       ARG  16  16.214   4.799 -10.514
   97   2HB   ARG  16          2HB       ARG  16  17.565   3.657 -10.238
   98   1HG   ARG  16          1HG       ARG  16  15.689   1.794 -10.699
   99   2HG   ARG  16          2HG       ARG  16  14.861   3.152 -11.530
  100   1HD   ARG  16          1HD       ARG  16  16.222   1.955 -13.208
  101   2HD   ARG  16          2HD       ARG  16  17.076   3.524 -12.854
  102    HE   ARG  16           HE       ARG  16  18.007   1.502 -11.028
  103   1HH1  ARG  16          1HH1      ARG  16  18.183   2.280 -14.521
  104   2HH1  ARG  16          2HH1      ARG  16  19.732   1.523 -14.726
  105   1HH2  ARG  16          1HH2      ARG  16  20.040   0.500 -11.344
  106   2HH2  ARG  16          2HH2      ARG  16  20.800   0.505 -12.904
  107    H    SER  17           H        SER  17  17.754   2.912  -6.962
  108    HA   SER  17           HA       SER  17  18.850   5.362  -6.256
  109   1HB   SER  17          1HB       SER  17  16.391   5.692  -5.345
  110   2HB   SER  17          2HB       SER  17  16.773   4.367  -4.194
  111    HG   SER  17           HG       SER  17  17.115   6.593  -3.474
  112    H    GLN  18           H        GLN  18  19.388   4.761  -3.632
  113    HA   GLN  18           HA       GLN  18  20.411   2.028  -3.543
  114   1HB   GLN  18          1HB       GLN  18  21.931   3.310  -5.013
  115   2HB   GLN  18          2HB       GLN  18  22.175   4.527  -3.721
  116   1HG   GLN  18          1HG       GLN  18  23.234   2.769  -2.238
  117   2HG   GLN  18          2HG       GLN  18  22.901   1.511  -3.481
  118   1HE2  GLN  18          1HE2      GLN  18  23.767   4.201  -5.289
  119   2HE2  GLN  18          2HE2      GLN  18  25.486   3.943  -5.357
  120    HA   PRO  19           HA       PRO  19  19.693   0.713  -2.098
  121   1HB   PRO  19          1HB       PRO  19  17.960   0.036  -0.068
  122   2HB   PRO  19          2HB       PRO  19  19.772   0.060   0.187
  123   1HG   PRO  19          1HG       PRO  19  17.764   2.297   0.841
  124   2HG   PRO  19          2HG       PRO  19  18.978   1.547   1.957
  125   1HD   PRO  19          1HD       PRO  19  19.453   3.877   0.515
  126   2HD   PRO  19          2HD       PRO  19  20.792   2.683   0.861
  127    HA   PRO  20           HA       PRO  20  15.830   2.205  -3.855
  128   1HB   PRO  20          1HB       PRO  20  14.541  -0.094  -4.669
  129   2HB   PRO  20          2HB       PRO  20  16.099   0.418  -5.421
  130   1HG   PRO  20          1HG       PRO  20  15.713  -1.572  -3.108
  131   2HG   PRO  20          2HG       PRO  20  16.620  -1.848  -4.658
  132   1HD   PRO  20          1HD       PRO  20  17.872  -1.036  -2.316
  133   2HD   PRO  20          2HD       PRO  20  18.422  -0.405  -3.947
  134    H    THR  21           H        THR  21  13.498   2.283  -3.511
  135    HA   THR  21           HA       THR  21  12.510   1.394  -0.901
  136    HB   THR  21           HB       THR  21  13.202   4.259  -1.798
  137    HG1  THR  21           HG1      THR  21  14.520   4.279  -0.015
  138   1HG2  THR  21          1HG2      THR  21  11.041   4.272  -0.491
  139   2HG2  THR  21          2HG2      THR  21  12.367   4.980   0.475
  140   3HG2  THR  21          3HG2      THR  21  11.820   3.308   0.833
  141    H    CYS  22           H        CYS  22  10.171   1.643  -0.849
  142    HA   CYS  22           HA       CYS  22   9.030   2.340  -3.485
  143   1HB   CYS  22          1HB       CYS  22   8.745  -0.334  -1.954
  144   2HB   CYS  22          2HB       CYS  22   8.026  -0.011  -3.535
  145    H    ARG  23           H        ARG  23   6.639   1.365  -3.327
  146    HA   ARG  23           HA       ARG  23   5.300   1.560  -0.836
  147   1HB   ARG  23          1HB       ARG  23   5.682   4.045  -1.346
  148   2HB   ARG  23          2HB       ARG  23   4.907   3.789  -2.924
  149   1HG   ARG  23          1HG       ARG  23   2.775   3.047  -1.570
  150   2HG   ARG  23          2HG       ARG  23   3.611   3.713  -0.129
  151   1HD   ARG  23          1HD       ARG  23   2.958   5.221  -2.742
  152   2HD   ARG  23          2HD       ARG  23   1.992   5.305  -1.190
  153    HE   ARG  23           HE       ARG  23   4.454   5.936  -0.272
  154   1HH1  ARG  23          1HH1      ARG  23   2.680   7.291  -3.103
  155   2HH1  ARG  23          2HH1      ARG  23   3.451   8.820  -2.971
  156   1HH2  ARG  23          1HH2      ARG  23   5.388   7.827  -0.125
  157   2HH2  ARG  23          2HH2      ARG  23   5.083   9.185  -1.184
  158    H    CYS  24           H        CYS  24   3.456   0.458  -1.031
  159    HA   CYS  24           HA       CYS  24   2.541  -0.500  -3.605
  160   1HB   CYS  24          1HB       CYS  24   1.372  -0.821  -0.777
  161   2HB   CYS  24          2HB       CYS  24   0.744  -1.630  -2.243
  162    H    VAL  25           H        VAL  25   1.612   1.034  -4.854
  163    HA   VAL  25           HA       VAL  25   0.537   3.426  -3.863
  164    HB   VAL  25           HB       VAL  25   0.166   4.024  -6.196
  165   1HG1  VAL  25          1HG1      VAL  25   2.901   2.670  -5.622
  166   2HG1  VAL  25          2HG1      VAL  25   2.399   4.311  -5.061
  167   3HG1  VAL  25          3HG1      VAL  25   2.577   3.974  -6.817
  168   1HG2  VAL  25          1HG2      VAL  25   0.835   2.473  -8.015
  169   2HG2  VAL  25          2HG2      VAL  25  -0.505   1.731  -7.093
  170   3HG2  VAL  25          3HG2      VAL  25   1.197   1.173  -6.849
  171    H    ASP  26           H        ASP  26  -0.801   0.412  -4.383
  172    HA   ASP  26           HA       ASP  26  -3.397   1.161  -5.154
  173   1HB   ASP  26          1HB       ASP  26  -2.377  -1.160  -5.415
  174   2HB   ASP  26          2HB       ASP  26  -2.730  -1.433  -3.665
  175    HD2  ASP  26           HD2      ASP  26  -5.667  -1.237  -6.407
  176    H    VAL  27           H        VAL  27  -4.494   2.515  -4.080
  177    HA   VAL  27           HA       VAL  27  -4.658   2.839  -1.290
  178    HB   VAL  27           HB       VAL  27  -4.778   4.563  -3.017
  179   1HG1  VAL  27          1HG1      VAL  27  -6.830   4.917  -4.335
  180   2HG1  VAL  27          2HG1      VAL  27  -7.619   3.493  -3.602
  181   3HG1  VAL  27          3HG1      VAL  27  -6.230   3.273  -4.728
  182   1HG2  VAL  27          1HG2      VAL  27  -7.412   4.416  -1.412
  183   2HG2  VAL  27          2HG2      VAL  27  -6.528   5.883  -1.975
  184   3HG2  VAL  27          3HG2      VAL  27  -5.807   4.851  -0.692
  185    H    ARG  28           H        ARG  28  -6.141   2.320   0.258
  186    HA   ARG  28           HA       ARG  28  -8.492   0.800  -0.643
  187   1HB   ARG  28          1HB       ARG  28  -6.564   0.103   1.626
  188   2HB   ARG  28          2HB       ARG  28  -8.201  -0.639   1.449
  189   1HG   ARG  28          1HG       ARG  28  -5.931  -0.814  -0.618
  190   2HG   ARG  28          2HG       ARG  28  -6.365  -2.113   0.560
  191   1HD   ARG  28          1HD       ARG  28  -8.535  -2.464  -0.430
  192   2HD   ARG  28          2HD       ARG  28  -8.382  -1.023  -1.500
  193    HE   ARG  28           HE       ARG  28  -6.442  -2.100  -2.622
  194   1HH1  ARG  28          1HH1      ARG  28  -8.772  -4.347  -1.023
  195   2HH1  ARG  28          2HH1      ARG  28  -8.456  -5.607  -2.166
  196   1HH2  ARG  28          1HH2      ARG  28  -6.122  -3.780  -4.084
  197   2HH2  ARG  28          2HH2      ARG  28  -6.940  -5.302  -3.902
  198    H    GLU  29           H        GLU  29 -10.253   0.826   0.792
  199    HA   GLU  29           HA       GLU  29 -10.748   2.982   2.500
  200   1HB   GLU  29          1HB       GLU  29 -11.764   0.145   2.046
  201   2HB   GLU  29          2HB       GLU  29 -12.415   1.112   3.422
  202   1HG   GLU  29          1HG       GLU  29 -13.150   2.900   1.804
  203   2HG   GLU  29          2HG       GLU  29 -12.466   1.933   0.448
  204    HE2  GLU  29           HE2      GLU  29 -14.643   1.714   3.141
  205    H    SER  30           H        SER  30  -9.869  -0.360   3.335
  206    HA   SER  30           HA       SER  30  -9.358   0.312   6.068
  207   1HB   SER  30          1HB       SER  30  -8.801  -2.380   4.700
  208   2HB   SER  30          2HB       SER  30  -8.770  -2.017   6.463
  209    HG   SER  30           HG       SER  30 -10.723  -2.876   5.985
  210    H    CYS  31           H        CYS  31  -7.670   1.106   6.898
  211    HA   CYS  31           HA       CYS  31  -5.088   0.582   5.589
  212   1HB   CYS  31          1HB       CYS  31  -5.865   2.959   6.295
  213   2HB   CYS  31          2HB       CYS  31  -5.365   2.456   7.966
  214    H    HIS  32           H        HIS  32  -3.208   0.205   7.127
  215    HA   HIS  32           HA       HIS  32  -3.659  -1.404   9.406
  216   1HB   HIS  32          1HB       HIS  32  -2.203  -3.274   7.889
  217   2HB   HIS  32          2HB       HIS  32  -3.999  -3.389   8.206
  218    HD1  HIS  32           HD1      HIS  32  -1.565  -2.073   5.667
  219    HD2  HIS  32           HD2      HIS  32  -5.590  -3.187   5.911
  220    HE1  HIS  32           HE1      HIS  32  -2.515  -1.832   3.362
  221    HE2  HIS  32           HE2      HIS  32  -4.982  -2.506   3.529
  222    H    SER  33           H        SER  33  -1.562  -1.731  10.354
  223    HA   SER  33           HA       SER  33  -0.026   0.623   9.791
  224   1HB   SER  33          1HB       SER  33   0.196  -1.477  12.035
  225   2HB   SER  33          2HB       SER  33   1.269  -0.035  11.925
  226    HG   SER  33           HG       SER  33  -0.494   0.378  13.239
  227    H    ALA  34           H        ALA  34   0.636  -0.334   7.674
  228    HA   ALA  34           HA       ALA  34   3.027  -1.889   7.669
  229   1HB   ALA  34          1HB       ALA  34   1.877   0.031   5.541
  230   2HB   ALA  34          2HB       ALA  34   1.506  -1.725   5.699
  231   3HB   ALA  34          3HB       ALA  34   3.171  -1.203   5.268
  232    H    CYS  35           H        CYS  35   2.307   1.538   7.989
  233    HA   CYS  35           HA       CYS  35   5.050   2.089   8.751
  234   1HB   CYS  35          1HB       CYS  35   4.990   4.214   7.613
  235   2HB   CYS  35          2HB       CYS  35   4.554   2.898   6.446
  236    H    ASP  36           H        ASP  36   4.606   4.643   9.768
  237    HA   ASP  36           HA       ASP  36   2.631   4.015  11.875
  238   1HB   ASP  36          1HB       ASP  36   5.330   4.613  12.089
  239   2HB   ASP  36          2HB       ASP  36   4.610   6.232  12.332
  240    HD2  ASP  36           HD2      ASP  36   2.411   5.701  13.588
  241    H    LYS  37           H        LYS  37   2.873   6.118   9.178
  242    HA   LYS  37           HA       LYS  37   0.713   7.767  10.298
  243   1HB   LYS  37          1HB       LYS  37   2.967   8.891  10.133
  244   2HB   LYS  37          2HB       LYS  37   2.946   8.629   8.369
  245   1HG   LYS  37          1HG       LYS  37   1.213  10.215   8.018
  246   2HG   LYS  37          2HG       LYS  37   0.575  10.023   9.679
  247   1HD   LYS  37          1HD       LYS  37   1.670  12.254   9.421
  248   2HD   LYS  37          2HD       LYS  37   2.430  11.236  10.681
  249   1HE   LYS  37          1HE       LYS  37   4.199  12.382   9.541
  250   2HE   LYS  37          2HE       LYS  37   4.319  10.661   9.034
  251   1HZ   LYS  37          1HZ       LYS  37   3.076  11.313   7.015
  252   2HZ   LYS  37          2HZ       LYS  37   4.591  12.066   7.186
  253   3HZ   LYS  37          3HZ       LYS  37   3.167  12.935   7.513
  254    H    CYS  38           H        CYS  38  -0.784   6.147   9.381
  255    HA   CYS  38           HA       CYS  38  -1.104   6.313   6.519
  256   1HB   CYS  38          1HB       CYS  38  -1.578   4.290   7.940
  257   2HB   CYS  38          2HB       CYS  38  -2.968   5.180   8.668
  258    H    VAL  39           H        VAL  39  -2.224   7.740   5.421
  259    HA   VAL  39           HA       VAL  39  -3.789   9.752   6.827
  260    HB   VAL  39           HB       VAL  39  -1.517  10.217   5.944
  261   1HG1  VAL  39          1HG1      VAL  39  -1.208  10.616   3.543
  262   2HG1  VAL  39          2HG1      VAL  39  -2.813   9.890   3.179
  263   3HG1  VAL  39          3HG1      VAL  39  -1.487   8.855   3.867
  264   1HG2  VAL  39          1HG2      VAL  39  -2.198  12.338   4.844
  265   2HG2  VAL  39          2HG2      VAL  39  -3.279  11.987   6.261
  266   3HG2  VAL  39          3HG2      VAL  39  -3.848  11.689   4.556
  267    H    CYS  40           H        CYS  40  -5.833  10.373   5.800
  268    HA   CYS  40           HA       CYS  40  -6.751   8.511   3.739
  269   1HB   CYS  40          1HB       CYS  40  -7.906   9.003   6.510
  270   2HB   CYS  40          2HB       CYS  40  -8.749   8.107   5.243
  271    H    ALA  41           H        ALA  41  -7.831   9.477   2.301
  272    HA   ALA  41           HA       ALA  41  -9.038  12.085   2.581
  273   1HB   ALA  41          1HB       ALA  41  -7.935  11.541   0.474
  274   2HB   ALA  41          2HB       ALA  41  -9.685  11.906   0.262
  275   3HB   ALA  41          3HB       ALA  41  -9.102  10.190   0.198
  276    H    TYR  42           H        TYR  42 -11.071  12.601   2.894
  277    HA   TYR  42           HA       TYR  42 -12.798  10.627   3.962
  278   1HB   TYR  42          1HB       TYR  42 -14.178  12.764   4.521
  279   2HB   TYR  42          2HB       TYR  42 -12.514  12.563   5.182
  280    HD1  TYR  42           HD1      TYR  42 -14.355  14.156   2.256
  281    HD2  TYR  42           HD2      TYR  42 -10.838  14.215   4.744
  282    HE1  TYR  42           HE1      TYR  42 -13.711  16.337   1.307
  283    HE2  TYR  42           HE2      TYR  42 -10.241  16.407   3.837
  284    HH   TYR  42           HH       TYR  42 -12.208  18.082   1.372
  285    H    SER  43           H        SER  43 -12.480  10.394   1.218
  286    HA   SER  43           HA       SER  43 -14.555  11.286  -0.405
  287   1HB   SER  43          1HB       SER  43 -12.913   8.730  -0.766
  288   2HB   SER  43          2HB       SER  43 -13.738   9.711  -2.069
  289    HG   SER  43           HG       SER  43 -11.544  10.194  -1.961
  290    H    ASN  44           H        ASN  44 -15.550   9.156  -1.821
  291    HA   ASN  44           HA       ASN  44 -17.191   7.470  -0.086
  292   1HB   ASN  44          1HB       ASN  44 -17.940   9.613  -2.121
  293   2HB   ASN  44          2HB       ASN  44 -18.928   8.141  -2.109
  294   1HD2  ASN  44          1HD2      ASN  44 -17.745  10.566   0.380
  295   2HD2  ASN  44          2HD2      ASN  44 -19.276  10.637   1.160
  296    HA   PRO  45           HA       PRO  45 -16.635   5.564   0.222
  297   1HB   PRO  45          1HB       PRO  45 -15.097   3.318   0.006
  298   2HB   PRO  45          2HB       PRO  45 -16.740   3.339  -0.643
  299   1HG   PRO  45          1HG       PRO  45 -14.145   3.863  -2.207
  300   2HG   PRO  45          2HG       PRO  45 -15.462   2.712  -2.622
  301   1HD   PRO  45          1HD       PRO  45 -15.314   5.293  -3.658
  302   2HD   PRO  45          2HD       PRO  45 -16.914   4.472  -3.344
  303    HA   PRO  46           HA       PRO  46 -12.993   7.732   1.177
  304   1HB   PRO  46          1HB       PRO  46 -12.332   7.007   3.743
  305   2HB   PRO  46          2HB       PRO  46 -13.905   7.808   3.353
  306   1HG   PRO  46          1HG       PRO  46 -13.384   4.800   3.642
  307   2HG   PRO  46          2HG       PRO  46 -14.644   5.830   4.467
  308   1HD   PRO  46          1HD       PRO  46 -15.138   4.356   2.151
  309   2HD   PRO  46          2HD       PRO  46 -15.930   6.028   2.461
  310    H    GLN  47           H        GLN  47 -10.551   7.605   1.816
  311    HA   GLN  47           HA       GLN  47  -9.443   5.128   0.662
  312   1HB   GLN  47          1HB       GLN  47  -9.018   8.067  -0.160
  313   2HB   GLN  47          2HB       GLN  47  -8.110   6.689  -0.835
  314   1HG   GLN  47          1HG       GLN  47 -11.167   7.041  -1.156
  315   2HG   GLN  47          2HG       GLN  47  -9.940   7.700  -2.292
  316   1HE2  GLN  47          1HE2      GLN  47 -11.136   4.618  -0.880
  317   2HE2  GLN  47          2HE2      GLN  47 -10.503   3.594  -2.148
  318    H    CYS  48           H        CYS  48  -7.352   4.697   1.305
  319    HA   CYS  48           HA       CYS  48  -5.982   6.561   3.084
  320   1HB   CYS  48          1HB       CYS  48  -6.947   3.688   3.698
  321   2HB   CYS  48          2HB       CYS  48  -5.711   4.556   4.679
  322    H    GLN  49           H        GLN  49  -3.900   6.354   3.115
  323    HA   GLN  49           HA       GLN  49  -2.457   4.236   1.764
  324   1HB   GLN  49          1HB       GLN  49  -2.437   7.272   1.244
  325   2HB   GLN  49          2HB       GLN  49  -1.186   6.161   0.556
  326   1HG   GLN  49          1HG       GLN  49  -2.422   5.686  -1.244
  327   2HG   GLN  49          2HG       GLN  49  -3.813   5.174  -0.237
  328   1HE2  GLN  49          1HE2      GLN  49  -2.249   8.026  -1.750
  329   2HE2  GLN  49          2HE2      GLN  49  -3.710   8.985  -1.806
  330    H    CYS  50           H        CYS  50  -0.137   4.450   2.248
  331    HA   CYS  50           HA       CYS  50   0.420   5.792   4.821
  332   1HB   CYS  50          1HB       CYS  50   1.544   3.544   4.246
  333   2HB   CYS  50          2HB       CYS  50   2.388   4.391   2.912
  334    H    TYR  51           H        TYR  51   1.256   7.755   5.030
  335    HA   TYR  51           HA       TYR  51   1.553   9.577   2.951
  336   1HB   TYR  51          1HB       TYR  51   1.461   9.699   5.691
  337   2HB   TYR  51          2HB       TYR  51   3.200   9.977   5.493
  338    HD1  TYR  51           HD1      TYR  51   3.481  11.676   3.097
  339    HD2  TYR  51           HD2      TYR  51   0.331  11.674   6.055
  340    HE1  TYR  51           HE1      TYR  51   2.977  13.944   2.547
  341    HE2  TYR  51           HE2      TYR  51  -0.155  13.983   5.516
  342    HH   TYR  51           HH       TYR  51   0.315  15.779   4.177
  343    H    ASP  52           H        ASP  52   4.014   7.753   4.686
  344    HA   ASP  52           HA       ASP  52   6.086   8.513   2.775
  345   1HB   ASP  52          1HB       ASP  52   7.654   7.878   4.546
  346   2HB   ASP  52          2HB       ASP  52   6.401   9.027   5.127
  347    HD2  ASP  52           HD2      ASP  52   5.145   7.065   7.503
  348    H    THR  53           H        THR  53   7.918   6.486   3.106
  349    HA   THR  53           HA       THR  53   6.864   4.677   1.154
  350    HB   THR  53           HB       THR  53   9.307   3.956   1.001
  351    HG1  THR  53           HG1      THR  53   9.987   4.685   3.066
  352   1HG2  THR  53          1HG2      THR  53   8.554   6.952   0.687
  353   2HG2  THR  53          2HG2      THR  53   8.237   5.645  -0.514
  354   3HG2  THR  53          3HG2      THR  53   9.926   6.117  -0.106
  355    H    HIS  54           H        HIS  54   7.502   2.322   1.077
  356    HA   HIS  54           HA       HIS  54   8.079   1.134   3.559
  357   1HB   HIS  54          1HB       HIS  54   5.620   1.352   3.823
  358   2HB   HIS  54          2HB       HIS  54   5.382   0.448   2.276
  359    HD1  HIS  54           HD1      HIS  54   5.258  -1.904   2.329
  360    HD2  HIS  54           HD2      HIS  54   6.508  -0.466   6.068
  361    HE1  HIS  54           HE1      HIS  54   5.142  -3.822   3.918
  362    HE2  HIS  54           HE2      HIS  54   5.890  -2.938   6.188
  363    H    LYS  55           H        LYS  55   8.687  -1.001   3.373
  364    HA   LYS  55           HA       LYS  55  10.379  -2.102   2.054
  365   1HB   LYS  55          1HB       LYS  55   7.656  -3.437   2.317
  366   2HB   LYS  55          2HB       LYS  55   9.153  -4.361   1.851
  367   1HG   LYS  55          1HG       LYS  55  10.160  -3.628   4.076
  368   2HG   LYS  55          2HG       LYS  55   8.518  -3.022   4.513
  369   1HD   LYS  55          1HD       LYS  55   7.639  -5.377   3.805
  370   2HD   LYS  55          2HD       LYS  55   9.359  -5.905   3.862
  371   1HE   LYS  55          1HE       LYS  55   7.689  -4.667   6.165
  372   2HE   LYS  55          2HE       LYS  55   8.149  -6.410   5.998
  373   1HZ   LYS  55          1HZ       LYS  55  10.044  -4.127   6.295
  374   2HZ   LYS  55          2HZ       LYS  55  10.453  -5.771   6.203
  375   3HZ   LYS  55          3HZ       LYS  55   9.565  -5.192   7.529
  376    H    PHE  56           H        PHE  56   7.830  -3.629   0.161
  377    HA   PHE  56           HA       PHE  56   8.766  -2.619  -2.334
  378   1HB   PHE  56          1HB       PHE  56   9.747  -4.823  -3.138
  379   2HB   PHE  56          2HB       PHE  56  10.692  -4.039  -1.854
  380    HD1  PHE  56           HD1      PHE  56   8.497  -6.967  -2.633
  381    HD2  PHE  56           HD2      PHE  56  10.892  -5.008   0.365
  382    HE1  PHE  56           HE1      PHE  56   8.392  -8.967  -1.246
  383    HE2  PHE  56           HE2      PHE  56  10.768  -7.013   1.765
  384    HZ   PHE  56           HZ       PHE  56   9.494  -9.006   0.994
  385    H    CYS  57           H        CYS  57   7.834  -4.726  -4.014
  386    HA   CYS  57           HA       CYS  57   5.033  -4.529  -3.696
  387   1HB   CYS  57          1HB       CYS  57   6.746  -6.320  -5.490
  388   2HB   CYS  57          2HB       CYS  57   4.997  -5.983  -5.722
  389    H    TYR  58           H        TYR  58   4.236  -5.480  -1.938
  390    HA   TYR  58           HA       TYR  58   5.159  -8.093  -1.094
  391   1HB   TYR  58          1HB       TYR  58   4.579  -5.829   0.313
  392   2HB   TYR  58          2HB       TYR  58   2.941  -6.531   0.327
  393    HD1  TYR  58           HD1      TYR  58   2.618  -7.538   2.489
  394    HD2  TYR  58           HD2      TYR  58   6.539  -7.782   0.702
  395    HE1  TYR  58           HE1      TYR  58   3.318  -9.001   4.246
  396    HE2  TYR  58           HE2      TYR  58   7.250  -9.271   2.481
  397    HH   TYR  58           HH       TYR  58   6.526 -10.658   4.177
  398    H    LYS  59           H        LYS  59   3.031  -9.029   0.269
  399    HA   LYS  59           HA       LYS  59   1.799 -10.820  -1.371
  400   1HB   LYS  59          1HB       LYS  59   0.874  -9.727   1.333
  401   2HB   LYS  59          2HB       LYS  59   0.200 -11.198   0.536
  402   1HG   LYS  59          1HG       LYS  59   2.422 -12.315   0.645
  403   2HG   LYS  59          2HG       LYS  59   3.155 -10.873   1.410
  404   1HD   LYS  59          1HD       LYS  59   1.507 -11.079   3.328
  405   2HD   LYS  59          2HD       LYS  59   0.952 -12.638   2.609
  406   1HE   LYS  59          1HE       LYS  59   3.327 -13.486   2.696
  407   2HE   LYS  59          2HE       LYS  59   3.853 -11.951   3.489
  408   1HZ   LYS  59          1HZ       LYS  59   3.481 -13.712   5.061
  409   2HZ   LYS  59          2HZ       LYS  59   1.868 -13.897   4.559
  410   3HZ   LYS  59          3HZ       LYS  59   2.354 -12.461   5.316
  411    H    ALA  60           H        ALA  60  -0.200 -11.152  -2.274
  412    HA   ALA  60           HA       ALA  60  -1.376  -8.807  -3.305
  413   1HB   ALA  60          1HB       ALA  60  -1.116 -10.924  -4.590
  414   2HB   ALA  60          2HB       ALA  60  -2.856 -10.447  -4.543
  415   3HB   ALA  60          3HB       ALA  60  -2.237 -11.756  -3.453
  416    H    CYS  61           H        CYS  61  -3.588  -8.233  -3.371
  417    HA   CYS  61           HA       CYS  61  -4.981  -8.670  -0.811
  418   1HB   CYS  61          1HB       CYS  61  -3.633  -6.453  -1.282
  419   2HB   CYS  61          2HB       CYS  61  -4.956  -6.011  -2.379
  420    H    HIS  62           H        HIS  62  -5.866 -10.387  -2.508
  421    HA   HIS  62           HA       HIS  62  -8.406  -9.144  -3.464
  422   1HB   HIS  62          1HB       HIS  62  -7.009 -11.642  -4.524
  423   2HB   HIS  62          2HB       HIS  62  -8.646 -11.091  -4.986
  424    HD1  HIS  62           HD1      HIS  62  -6.936 -11.407  -7.211
  425    HD2  HIS  62           HD2      HIS  62  -6.794  -7.782  -5.088
  426    HE1  HIS  62           HE1      HIS  62  -5.928  -9.676  -8.727
  427    HE2  HIS  62           HE2      HIS  62  -5.826  -7.520  -7.394
  428    H    ASN  63           H        ASN  63  -9.463  -9.326  -1.451
  429    HA   ASN  63           HA       ASN  63  -9.475 -11.603   0.085
  430   1HB   ASN  63          1HB       ASN  63 -11.602 -10.431   1.107
  431   2HB   ASN  63          2HB       ASN  63  -9.977  -9.793   1.338
  432   1HD2  ASN  63          1HD2      ASN  63  -9.438  -7.681   0.387
  433   2HD2  ASN  63          2HD2      ASN  63 -10.672  -6.731  -0.353
  434    H    SER  64           H        SER  64 -12.498 -10.412  -1.217
  435    HA   SER  64           HA       SER  64 -13.499 -13.143  -1.156
  436   1HB   SER  64          1HB       SER  64 -15.680 -12.272  -1.050
  437   2HB   SER  64          2HB       SER  64 -14.663 -11.094  -0.131
  438    HG   SER  64           HG       SER  64 -15.893  -9.871  -1.524
  439    H    GLU  65           H        GLU  65 -15.517 -13.268  -2.936
  440    HA   GLU  65           HA       GLU  65 -14.293 -14.181  -5.214
  441   1HB   GLU  65          1HB       GLU  65 -16.449 -14.772  -6.044
  442   2HB   GLU  65          2HB       GLU  65 -16.337 -15.162  -4.315
  443   1HG   GLU  65          1HG       GLU  65 -17.781 -12.673  -5.462
  444   2HG   GLU  65          2HG       GLU  65 -18.578 -14.229  -5.092
  445    HE2  GLU  65           HE2      GLU  65 -18.808 -11.714  -2.383
  446    H    ILE  66           H        ILE  66 -15.211 -11.000  -4.649
  447    HA   ILE  66           HA       ILE  66 -14.143 -10.176  -7.151
  448    HB   ILE  66           HB       ILE  66 -16.171  -8.428  -7.360
  449   1HG1  ILE  66          1HG1      ILE  66 -18.361  -9.523  -7.245
  450   2HG1  ILE  66          2HG1      ILE  66 -17.646 -10.971  -6.478
  451   1HG2  ILE  66          1HG2      ILE  66 -15.140  -9.865  -9.131
  452   2HG2  ILE  66          2HG2      ILE  66 -16.916  -9.700  -9.304
  453   3HG2  ILE  66          3HG2      ILE  66 -16.203 -11.227  -8.639
  454   1HD1  ILE  66          1HD1      ILE  66 -18.839  -9.403  -4.867
  455   2HD1  ILE  66          2HD1      ILE  66 -17.629  -8.125  -5.255
  456   3HD1  ILE  66          3HD1      ILE  66 -17.115  -9.639  -4.425
  457    H    GLU  67           H        GLU  67 -13.823  -7.715  -7.192
  458    HA   GLU  67           HA       GLU  67 -14.524  -6.207  -5.042
  459   1HB   GLU  67          1HB       GLU  67 -12.255  -5.279  -4.613
  460   2HB   GLU  67          2HB       GLU  67 -12.433  -6.869  -3.853
  461   1HG   GLU  67          1HG       GLU  67 -11.170  -6.492  -6.670
  462   2HG   GLU  67          2HG       GLU  67 -10.220  -6.186  -5.198
  463    HE2  GLU  67           HE2      GLU  67 -12.268  -8.636  -4.481
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1   2.220  -9.829   9.145
    2   2H    GLY   1          2H        GLY   1   2.026  -9.143  10.682
    3   3H    GLY   1          3H        GLY   1   1.001 -10.398  10.184
    4   1HA   GLY   1          1HA       GLY   1   3.908 -10.596  10.610
    5   2HA   GLY   1          2HA       GLY   1   2.606 -11.216  11.719
    6    H    ASP   2           H        ASP   2   2.113 -13.328  11.482
    7    HA   ASP   2           HA       ASP   2   1.869 -14.535   8.832
    8   1HB   ASP   2          1HB       ASP   2   3.736 -15.634  11.058
    9   2HB   ASP   2          2HB       ASP   2   3.243 -16.553   9.596
   10    HD2  ASP   2           HD2      ASP   2   5.492 -15.124   7.558
   11    H    ASP   3           H        ASP   3   0.294 -13.716  11.275
   12    HA   ASP   3           HA       ASP   3  -1.544 -15.780  10.848
   13   1HB   ASP   3          1HB       ASP   3  -0.310 -16.855  12.790
   14   2HB   ASP   3          2HB       ASP   3  -0.697 -15.424  13.801
   15    HD2  ASP   3           HD2      ASP   3  -3.891 -17.618  12.611
   16    H    VAL   4           H        VAL   4  -0.844 -13.097  13.212
   17    HA   VAL   4           HA       VAL   4  -3.367 -11.902  12.822
   18    HB   VAL   4           HB       VAL   4  -1.804 -11.464  14.729
   19   1HG1  VAL   4          1HG1      VAL   4  -0.581  -9.388  12.755
   20   2HG1  VAL   4          2HG1      VAL   4   0.270 -10.885  13.268
   21   3HG1  VAL   4          3HG1      VAL   4  -0.154  -9.620  14.477
   22   1HG2  VAL   4          1HG2      VAL   4  -3.003  -8.989  13.335
   23   2HG2  VAL   4          2HG2      VAL   4  -2.663  -9.234  15.083
   24   3HG2  VAL   4          3HG2      VAL   4  -3.930 -10.221  14.292
   25    H    LYS   5           H        LYS   5  -4.057 -10.285  11.474
   26    HA   LYS   5           HA       LYS   5  -3.728 -10.624   9.001
   27   1HB   LYS   5          1HB       LYS   5  -5.451  -9.147  10.211
   28   2HB   LYS   5          2HB       LYS   5  -4.306  -7.795   9.938
   29   1HG   LYS   5          1HG       LYS   5  -4.464  -8.388   7.401
   30   2HG   LYS   5          2HG       LYS   5  -5.735  -9.574   7.865
   31   1HD   LYS   5          1HD       LYS   5  -6.983  -7.669   7.239
   32   2HD   LYS   5          2HD       LYS   5  -6.927  -7.550   9.032
   33   1HE   LYS   5          1HE       LYS   5  -5.002  -5.883   8.805
   34   2HE   LYS   5          2HE       LYS   5  -5.152  -5.999   7.009
   35   1HZ   LYS   5          1HZ       LYS   5  -7.439  -5.247   7.223
   36   2HZ   LYS   5          2HZ       LYS   5  -6.341  -4.130   7.878
   37   3HZ   LYS   5          3HZ       LYS   5  -7.260  -5.119   8.904
   38    H    SER   6           H        SER   6  -2.414 -10.594   7.503
   39    HA   SER   6           HA       SER   6   0.024  -9.260   7.322
   40   1HB   SER   6          1HB       SER   6  -0.106 -10.094   4.873
   41   2HB   SER   6          2HB       SER   6  -0.199 -11.313   6.195
   42    HG   SER   6           HG       SER   6  -1.942 -10.959   4.293
   43    H    ALA   7           H        ALA   7   0.750  -7.945   5.478
   44    HA   ALA   7           HA       ALA   7  -0.888  -5.610   5.095
   45   1HB   ALA   7          1HB       ALA   7   1.150  -4.875   3.744
   46   2HB   ALA   7          2HB       ALA   7   1.782  -6.563   3.868
   47   3HB   ALA   7          3HB       ALA   7   1.640  -5.544   5.343
   48    H    CYS   8           H        CYS   8  -1.465  -4.741   2.979
   49    HA   CYS   8           HA       CYS   8  -1.325  -6.546   0.691
   50   1HB   CYS   8          1HB       CYS   8  -3.959  -5.121   1.358
   51   2HB   CYS   8          2HB       CYS   8  -3.571  -6.122  -0.072
   52    H    CYS   9           H        CYS   9  -0.740  -5.369  -1.179
   53    HA   CYS   9           HA       CYS   9  -1.642  -2.562  -1.263
   54   1HB   CYS   9          1HB       CYS   9   1.168  -3.686  -1.667
   55   2HB   CYS   9          2HB       CYS   9   0.649  -2.250  -2.627
   56    H    ASP  10           H        ASP  10  -2.808  -2.205  -3.206
   57    HA   ASP  10           HA       ASP  10  -2.837  -4.479  -4.944
   58   1HB   ASP  10          1HB       ASP  10  -4.748  -2.735  -4.157
   59   2HB   ASP  10          2HB       ASP  10  -4.321  -1.933  -5.653
   60    HD2  ASP  10           HD2      ASP  10  -3.930  -3.689  -7.410
   61    H    THR  11           H        THR  11  -1.040  -1.573  -4.896
   62    HA   THR  11           HA       THR  11   0.291  -2.269  -7.341
   63    HB   THR  11           HB       THR  11  -0.735   0.596  -7.029
   64    HG1  THR  11           HG1      THR  11  -1.795  -1.330  -8.812
   65   1HG2  THR  11          1HG2      THR  11  -0.189   0.684  -9.512
   66   2HG2  THR  11          2HG2      THR  11   0.449  -0.987  -9.422
   67   3HG2  THR  11          3HG2      THR  11   1.240   0.355  -8.507
   68    H    CYS  12           H        CYS  12   2.450  -1.613  -7.171
   69    HA   CYS  12           HA       CYS  12   3.237   0.368  -5.237
   70   1HB   CYS  12          1HB       CYS  12   4.647  -1.289  -4.015
   71   2HB   CYS  12          2HB       CYS  12   2.883  -1.713  -3.964
   72    H    LEU  13           H        LEU  13   5.546   0.617  -5.087
   73    HA   LEU  13           HA       LEU  13   6.786   0.552  -7.746
   74   1HB   LEU  13          1HB       LEU  13   4.990   2.274  -7.584
   75   2HB   LEU  13          2HB       LEU  13   5.724   2.958  -6.112
   76    HG   LEU  13           HG       LEU  13   7.023   2.872  -8.933
   77   1HD1  LEU  13          1HD1      LEU  13   5.548   5.170  -7.499
   78   2HD1  LEU  13          2HD1      LEU  13   4.877   4.175  -8.846
   79   3HD1  LEU  13          3HD1      LEU  13   6.310   5.232  -9.130
   80   1HD2  LEU  13          1HD2      LEU  13   7.778   4.430  -6.371
   81   2HD2  LEU  13          2HD2      LEU  13   8.396   4.818  -8.021
   82   3HD2  LEU  13          3HD2      LEU  13   8.802   3.242  -7.267
   83    H    CYS  14           H        CYS  14   8.679  -0.231  -7.208
   84    HA   CYS  14           HA       CYS  14  10.077   0.800  -4.868
   85   1HB   CYS  14          1HB       CYS  14  10.832  -1.503  -6.674
   86   2HB   CYS  14          2HB       CYS  14  11.763  -0.943  -5.276
   87    H    THR  15           H        THR  15  11.951   1.958  -4.893
   88    HA   THR  15           HA       THR  15  12.230   3.514  -7.272
   89    HB   THR  15           HB       THR  15  13.994   4.759  -6.117
   90    HG1  THR  15           HG1      THR  15  14.924   3.750  -4.540
   91   1HG2  THR  15          1HG2      THR  15  11.533   5.293  -5.900
   92   2HG2  THR  15          2HG2      THR  15  12.474   5.715  -4.416
   93   3HG2  THR  15          3HG2      THR  15  11.434   4.242  -4.443
   94    H    ARG  16           H        ARG  16  13.838   3.793  -8.662
   95    HA   ARG  16           HA       ARG  16  16.129   2.023  -8.733
   96   1HB   ARG  16          1HB       ARG  16  15.069   4.124 -10.660
   97   2HB   ARG  16          2HB       ARG  16  16.685   3.386 -10.851
   98   1HG   ARG  16          1HG       ARG  16  14.142   1.706 -10.614
   99   2HG   ARG  16          2HG       ARG  16  14.712   2.327 -12.182
  100   1HD   ARG  16          1HD       ARG  16  16.516   0.606 -10.341
  101   2HD   ARG  16          2HD       ARG  16  15.389  -0.130 -11.531
  102    HE   ARG  16           HE       ARG  16  17.881   1.356 -12.101
  103   1HH1  ARG  16          1HH1      ARG  16  14.744   0.240 -13.484
  104   2HH1  ARG  16          2HH1      ARG  16  15.267   0.480 -15.117
  105   1HH2  ARG  16          1HH2      ARG  16  18.488   1.673 -14.306
  106   2HH2  ARG  16          2HH2      ARG  16  17.377   1.286 -15.586
  107    H    SER  17           H        SER  17  17.621   2.603  -7.206
  108    HA   SER  17           HA       SER  17  18.729   5.177  -6.952
  109   1HB   SER  17          1HB       SER  17  17.736   5.835  -4.757
  110   2HB   SER  17          2HB       SER  17  16.405   5.615  -5.907
  111    HG   SER  17           HG       SER  17  17.210   3.954  -3.745
  112    H    GLN  18           H        GLN  18  19.828   5.038  -4.495
  113    HA   GLN  18           HA       GLN  18  20.424   2.274  -3.833
  114   1HB   GLN  18          1HB       GLN  18  22.361   4.373  -4.859
  115   2HB   GLN  18          2HB       GLN  18  22.935   3.079  -3.758
  116   1HG   GLN  18          1HG       GLN  18  21.710   2.600  -6.554
  117   2HG   GLN  18          2HG       GLN  18  23.439   2.496  -6.085
  118   1HE2  GLN  18          1HE2      GLN  18  20.276   0.898  -5.800
  119   2HE2  GLN  18          2HE2      GLN  18  20.917  -0.643  -5.242
  120    HA   PRO  19           HA       PRO  19  20.452   1.191  -2.049
  121   1HB   PRO  19          1HB       PRO  19  19.016   0.783   0.269
  122   2HB   PRO  19          2HB       PRO  19  20.821   1.117   0.303
  123   1HG   PRO  19          1HG       PRO  19  18.536   3.154   0.660
  124   2HG   PRO  19          2HG       PRO  19  19.936   2.832   1.773
  125   1HD   PRO  19          1HD       PRO  19  19.996   4.824  -0.158
  126   2HD   PRO  19          2HD       PRO  19  21.494   3.872   0.264
  127    HA   PRO  20           HA       PRO  20  16.308   1.632  -3.685
  128   1HB   PRO  20          1HB       PRO  20  15.202  -0.888  -3.510
  129   2HB   PRO  20          2HB       PRO  20  16.608  -0.544  -4.590
  130   1HG   PRO  20          1HG       PRO  20  16.688  -1.661  -1.732
  131   2HG   PRO  20          2HG       PRO  20  17.466  -2.359  -3.219
  132   1HD   PRO  20          1HD       PRO  20  18.850  -0.743  -1.459
  133   2HD   PRO  20          2HD       PRO  20  19.135  -0.622  -3.267
  134    H    THR  21           H        THR  21  14.043   1.707  -3.099
  135    HA   THR  21           HA       THR  21  13.330   1.584  -0.255
  136    HB   THR  21           HB       THR  21  13.496   4.117  -2.029
  137    HG1  THR  21           HG1      THR  21  15.490   3.659  -1.135
  138   1HG2  THR  21          1HG2      THR  21  11.523   4.226  -0.527
  139   2HG2  THR  21          2HG2      THR  21  12.793   5.346   0.045
  140   3HG2  THR  21          3HG2      THR  21  12.551   3.782   0.905
  141    H    CYS  22           H        CYS  22  10.935   1.471  -0.166
  142    HA   CYS  22           HA       CYS  22   9.648   1.725  -2.812
  143   1HB   CYS  22          1HB       CYS  22  10.809  -0.575  -2.500
  144   2HB   CYS  22          2HB       CYS  22   9.663  -0.861  -1.187
  145    H    ARG  23           H        ARG  23   7.403   1.266  -2.780
  146    HA   ARG  23           HA       ARG  23   5.887   1.787  -0.402
  147   1HB   ARG  23          1HB       ARG  23   5.260   4.186  -1.101
  148   2HB   ARG  23          2HB       ARG  23   6.935   4.040  -0.551
  149   1HG   ARG  23          1HG       ARG  23   7.750   4.812  -2.481
  150   2HG   ARG  23          2HG       ARG  23   6.882   3.570  -3.447
  151   1HD   ARG  23          1HD       ARG  23   6.201   5.770  -4.235
  152   2HD   ARG  23          2HD       ARG  23   4.797   5.038  -3.345
  153    HE   ARG  23           HE       ARG  23   6.785   7.010  -2.180
  154   1HH1  ARG  23          1HH1      ARG  23   3.290   6.050  -2.389
  155   2HH1  ARG  23          2HH1      ARG  23   2.784   7.540  -1.718
  156   1HH2  ARG  23          1HH2      ARG  23   6.103   8.772  -1.273
  157   2HH2  ARG  23          2HH2      ARG  23   4.430   9.175  -1.005
  158    H    CYS  24           H        CYS  24   3.678   2.482  -1.001
  159    HA   CYS  24           HA       CYS  24   2.842   1.047  -3.439
  160   1HB   CYS  24          1HB       CYS  24   1.313   1.565  -0.848
  161   2HB   CYS  24          2HB       CYS  24   0.714   0.610  -2.254
  162    H    VAL  25           H        VAL  25   0.776   1.906  -4.306
  163    HA   VAL  25           HA       VAL  25   0.410   4.794  -4.421
  164    HB   VAL  25           HB       VAL  25   1.135   4.721  -6.854
  165   1HG1  VAL  25          1HG1      VAL  25   3.509   4.825  -6.654
  166   2HG1  VAL  25          2HG1      VAL  25   3.542   3.792  -5.196
  167   3HG1  VAL  25          3HG1      VAL  25   2.838   5.460  -5.100
  168   1HG2  VAL  25          1HG2      VAL  25   2.594   2.744  -7.593
  169   2HG2  VAL  25          2HG2      VAL  25   0.883   2.293  -7.362
  170   3HG2  VAL  25          3HG2      VAL  25   2.087   1.880  -6.088
  171    H    ASP  26           H        ASP  26  -1.318   2.550  -3.836
  172    HA   ASP  26           HA       ASP  26  -3.336   3.493  -5.516
  173   1HB   ASP  26          1HB       ASP  26  -2.525   1.550  -6.837
  174   2HB   ASP  26          2HB       ASP  26  -2.908   0.453  -5.446
  175    HD2  ASP  26           HD2      ASP  26  -3.740  -0.060  -7.663
  176    H    VAL  27           H        VAL  27  -5.148   3.594  -4.428
  177    HA   VAL  27           HA       VAL  27  -5.014   3.513  -1.612
  178    HB   VAL  27           HB       VAL  27  -5.905   5.279  -3.080
  179   1HG1  VAL  27          1HG1      VAL  27  -8.365   3.445  -3.396
  180   2HG1  VAL  27          2HG1      VAL  27  -7.147   3.664  -4.704
  181   3HG1  VAL  27          3HG1      VAL  27  -8.081   5.077  -4.116
  182   1HG2  VAL  27          1HG2      VAL  27  -8.069   4.191  -1.174
  183   2HG2  VAL  27          2HG2      VAL  27  -7.722   5.902  -1.645
  184   3HG2  VAL  27          3HG2      VAL  27  -6.546   5.014  -0.619
  185    H    ARG  28           H        ARG  28  -6.197   2.454  -0.073
  186    HA   ARG  28           HA       ARG  28  -7.962   0.322  -0.941
  187   1HB   ARG  28          1HB       ARG  28  -5.366  -0.048   0.040
  188   2HB   ARG  28          2HB       ARG  28  -6.317  -0.144   1.542
  189   1HG   ARG  28          1HG       ARG  28  -5.916  -2.376   0.605
  190   2HG   ARG  28          2HG       ARG  28  -7.676  -2.042   0.510
  191   1HD   ARG  28          1HD       ARG  28  -7.389  -1.408  -1.944
  192   2HD   ARG  28          2HD       ARG  28  -5.642  -1.789  -1.808
  193    HE   ARG  28           HE       ARG  28  -7.983  -3.692  -1.752
  194   1HH1  ARG  28          1HH1      ARG  28  -4.452  -3.308  -1.463
  195   2HH1  ARG  28          2HH1      ARG  28  -4.108  -4.979  -1.787
  196   1HH2  ARG  28          1HH2      ARG  28  -7.533  -5.905  -2.094
  197   2HH2  ARG  28          2HH2      ARG  28  -5.902  -6.494  -2.112
  198    H    GLU  29           H        GLU  29  -9.219  -0.377   1.069
  199    HA   GLU  29           HA       GLU  29 -10.753   1.664   2.098
  200   1HB   GLU  29          1HB       GLU  29 -10.242  -1.237   2.859
  201   2HB   GLU  29          2HB       GLU  29 -11.560  -0.271   3.591
  202   1HG   GLU  29          1HG       GLU  29 -11.765   0.066   0.671
  203   2HG   GLU  29          2HG       GLU  29 -11.522  -1.688   0.988
  204    HE2  GLU  29           HE2      GLU  29 -13.337   1.081   1.842
  205    H    SER  30           H        SER  30  -7.812   0.415   3.318
  206    HA   SER  30           HA       SER  30  -7.860   2.177   5.644
  207   1HB   SER  30          1HB       SER  30  -7.608  -0.900   5.969
  208   2HB   SER  30          2HB       SER  30  -7.400   0.299   7.288
  209    HG   SER  30           HG       SER  30  -9.436  -0.472   7.470
  210    H    CYS  31           H        CYS  31  -5.800   1.991   6.928
  211    HA   CYS  31           HA       CYS  31  -3.502   1.299   5.235
  212   1HB   CYS  31          1HB       CYS  31  -3.932   2.834   7.836
  213   2HB   CYS  31          2HB       CYS  31  -2.260   2.414   7.318
  214    H    HIS  32           H        HIS  32  -1.705   0.687   7.549
  215    HA   HIS  32           HA       HIS  32  -2.669  -1.580   8.891
  216   1HB   HIS  32          1HB       HIS  32  -2.274  -2.598   6.637
  217   2HB   HIS  32          2HB       HIS  32  -0.563  -1.944   6.662
  218    HD1  HIS  32           HD1      HIS  32  -2.874  -4.018   8.825
  219    HD2  HIS  32           HD2      HIS  32   1.047  -4.258   7.337
  220    HE1  HIS  32           HE1      HIS  32  -1.956  -6.206   9.549
  221    HE2  HIS  32           HE2      HIS  32   0.436  -6.343   8.629
  222    H    SER  33           H        SER  33  -0.765  -2.308  10.292
  223    HA   SER  33           HA       SER  33   0.634  -0.216  11.349
  224   1HB   SER  33          1HB       SER  33   1.438  -3.195  11.449
  225   2HB   SER  33          2HB       SER  33   2.041  -1.933  12.588
  226    HG   SER  33           HG       SER  33   0.323  -2.985  13.507
  227    H    ALA  34           H        ALA  34   1.537  -1.917   8.530
  228    HA   ALA  34           HA       ALA  34   4.280  -1.175   8.413
  229   1HB   ALA  34          1HB       ALA  34   4.138  -2.101   6.105
  230   2HB   ALA  34          2HB       ALA  34   2.341  -2.154   6.216
  231   3HB   ALA  34          3HB       ALA  34   3.369  -3.218   7.272
  232    H    CYS  35           H        CYS  35   2.871   1.046   9.074
  233    HA   CYS  35           HA       CYS  35   3.507   2.817   6.839
  234   1HB   CYS  35          1HB       CYS  35   1.022   2.079   6.817
  235   2HB   CYS  35          2HB       CYS  35   0.842   2.959   8.395
  236    H    ASP  36           H        ASP  36   3.788   5.101   7.449
  237    HA   ASP  36           HA       ASP  36   3.897   5.557  10.372
  238   1HB   ASP  36          1HB       ASP  36   5.538   7.188   8.361
  239   2HB   ASP  36          2HB       ASP  36   5.576   7.245  10.161
  240    HD2  ASP  36           HD2      ASP  36   7.621   6.591   8.124
  241    H    LYS  37           H        LYS  37   3.571   7.806   7.396
  242    HA   LYS  37           HA       LYS  37   1.279   8.887   8.743
  243   1HB   LYS  37          1HB       LYS  37   3.083  10.354   7.630
  244   2HB   LYS  37          2HB       LYS  37   2.496   9.746   6.073
  245   1HG   LYS  37          1HG       LYS  37   1.392  11.842   6.419
  246   2HG   LYS  37          2HG       LYS  37   0.156  10.583   6.699
  247   1HD   LYS  37          1HD       LYS  37   0.589  10.820   9.222
  248   2HD   LYS  37          2HD       LYS  37   1.763  12.123   8.857
  249   1HE   LYS  37          1HE       LYS  37  -0.402  13.060   9.582
  250   2HE   LYS  37          2HE       LYS  37  -0.126  13.484   7.841
  251   1HZ   LYS  37          1HZ       LYS  37  -1.797  11.244   8.862
  252   2HZ   LYS  37          2HZ       LYS  37  -1.583  11.673   7.234
  253   3HZ   LYS  37          3HZ       LYS  37  -2.363  12.744   8.299
  254    H    CYS  38           H        CYS  38  -0.588   7.784   8.500
  255    HA   CYS  38           HA       CYS  38  -1.383   6.757   5.897
  256   1HB   CYS  38          1HB       CYS  38  -1.715   5.544   8.101
  257   2HB   CYS  38          2HB       CYS  38  -2.705   6.942   8.657
  258    H    VAL  39           H        VAL  39  -2.493   8.039   4.428
  259    HA   VAL  39           HA       VAL  39  -3.840  10.461   5.425
  260    HB   VAL  39           HB       VAL  39  -2.570   9.495   2.839
  261   1HG1  VAL  39          1HG1      VAL  39  -4.685  10.584   2.162
  262   2HG1  VAL  39          2HG1      VAL  39  -3.281  11.658   1.819
  263   3HG1  VAL  39          3HG1      VAL  39  -4.320  11.989   3.259
  264   1HG2  VAL  39          1HG2      VAL  39  -2.165  11.947   4.685
  265   2HG2  VAL  39          2HG2      VAL  39  -1.280  11.664   3.142
  266   3HG2  VAL  39          3HG2      VAL  39  -1.053  10.527   4.533
  267    H    CYS  40           H        CYS  40  -6.186  10.551   5.039
  268    HA   CYS  40           HA       CYS  40  -7.352   8.309   3.585
  269   1HB   CYS  40          1HB       CYS  40  -7.890   9.071   6.469
  270   2HB   CYS  40          2HB       CYS  40  -8.938   7.990   5.529
  271    H    ALA  41           H        ALA  41  -8.494   9.263   2.146
  272    HA   ALA  41           HA       ALA  41  -9.923  11.713   2.634
  273   1HB   ALA  41          1HB       ALA  41  -9.040  11.243   0.401
  274   2HB   ALA  41          2HB       ALA  41 -10.805  11.561   0.416
  275   3HB   ALA  41          3HB       ALA  41 -10.189   9.869   0.230
  276    H    TYR  42           H        TYR  42 -11.948  12.088   3.073
  277    HA   TYR  42           HA       TYR  42 -13.468  10.078   4.364
  278   1HB   TYR  42          1HB       TYR  42 -14.841  12.103   5.075
  279   2HB   TYR  42          2HB       TYR  42 -13.067  12.215   5.407
  280    HD1  TYR  42           HD1      TYR  42 -11.651  13.880   4.246
  281    HD2  TYR  42           HD2      TYR  42 -15.799  13.401   3.137
  282    HE1  TYR  42           HE1      TYR  42 -11.523  15.889   2.845
  283    HE2  TYR  42           HE2      TYR  42 -15.652  15.402   1.746
  284    HH   TYR  42           HH       TYR  42 -14.421  17.233   1.263
  285    H    SER  43           H        SER  43 -13.213  10.112   1.476
  286    HA   SER  43           HA       SER  43 -15.641  10.516   0.125
  287   1HB   SER  43          1HB       SER  43 -13.424   8.534  -0.554
  288   2HB   SER  43          2HB       SER  43 -14.669   9.200  -1.704
  289    HG   SER  43           HG       SER  43 -12.881  10.356  -2.000
  290    H    ASN  44           H        ASN  44 -16.227   8.229  -1.269
  291    HA   ASN  44           HA       ASN  44 -17.294   6.334   0.644
  292   1HB   ASN  44          1HB       ASN  44 -18.812   8.302   0.397
  293   2HB   ASN  44          2HB       ASN  44 -18.795   8.121  -1.365
  294   1HD2  ASN  44          1HD2      ASN  44 -19.965   6.076  -2.244
  295   2HD2  ASN  44          2HD2      ASN  44 -20.957   5.126  -1.199
  296    HA   PRO  45           HA       PRO  45 -17.076   4.253   0.719
  297   1HB   PRO  45          1HB       PRO  45 -15.352   2.120   0.332
  298   2HB   PRO  45          2HB       PRO  45 -16.982   2.109  -0.345
  299   1HG   PRO  45          1HG       PRO  45 -14.427   3.043  -1.786
  300   2HG   PRO  45          2HG       PRO  45 -15.568   1.763  -2.342
  301   1HD   PRO  45          1HD       PRO  45 -15.823   4.363  -3.211
  302   2HD   PRO  45          2HD       PRO  45 -17.318   3.411  -2.770
  303    HA   PRO  46           HA       PRO  46 -13.729   6.455   2.291
  304   1HB   PRO  46          1HB       PRO  46 -12.776   5.177   4.536
  305   2HB   PRO  46          2HB       PRO  46 -14.464   5.810   4.448
  306   1HG   PRO  46          1HG       PRO  46 -13.551   2.946   3.839
  307   2HG   PRO  46          2HG       PRO  46 -14.838   3.503   4.998
  308   1HD   PRO  46          1HD       PRO  46 -15.448   2.696   2.436
  309   2HD   PRO  46          2HD       PRO  46 -16.294   4.193   3.192
  310    H    GLN  47           H        GLN  47 -11.431   6.839   2.310
  311    HA   GLN  47           HA       GLN  47  -9.965   4.817   0.742
  312   1HB   GLN  47          1HB       GLN  47  -9.974   7.885   0.793
  313   2HB   GLN  47          2HB       GLN  47  -8.968   6.908  -0.322
  314   1HG   GLN  47          1HG       GLN  47 -12.086   6.912  -0.329
  315   2HG   GLN  47          2HG       GLN  47 -11.082   8.030  -1.297
  316   1HE2  GLN  47          1HE2      GLN  47  -9.444   6.991  -2.764
  317   2HE2  GLN  47          2HE2      GLN  47 -10.021   5.636  -3.692
  318    H    CYS  48           H        CYS  48  -7.829   4.445   1.411
  319    HA   CYS  48           HA       CYS  48  -6.518   6.476   3.011
  320   1HB   CYS  48          1HB       CYS  48  -7.018   3.594   3.848
  321   2HB   CYS  48          2HB       CYS  48  -5.709   4.591   4.590
  322    H    GLN  49           H        GLN  49  -4.431   6.586   2.673
  323    HA   GLN  49           HA       GLN  49  -3.099   4.526   1.072
  324   1HB   GLN  49          1HB       GLN  49  -2.953   7.605   0.911
  325   2HB   GLN  49          2HB       GLN  49  -1.948   6.471  -0.074
  326   1HG   GLN  49          1HG       GLN  49  -3.555   6.745  -1.686
  327   2HG   GLN  49          2HG       GLN  49  -4.515   5.594  -0.702
  328   1HE2  GLN  49          1HE2      GLN  49  -3.908   9.072  -1.360
  329   2HE2  GLN  49          2HE2      GLN  49  -5.550   9.552  -1.016
  330    H    CYS  50           H        CYS  50  -1.123   3.974   1.830
  331    HA   CYS  50           HA       CYS  50  -0.044   5.524   4.091
  332   1HB   CYS  50          1HB       CYS  50   0.145   2.953   4.096
  333   2HB   CYS  50          2HB       CYS  50   1.290   3.125   2.726
  334    H    TYR  51           H        TYR  51   0.800   7.358   3.544
  335    HA   TYR  51           HA       TYR  51   2.127   8.019   1.151
  336   1HB   TYR  51          1HB       TYR  51   1.654   9.317   3.844
  337   2HB   TYR  51          2HB       TYR  51   3.184   9.797   3.058
  338    HD1  TYR  51           HD1      TYR  51   2.943  11.782   1.702
  339    HD2  TYR  51           HD2      TYR  51  -0.388   9.010   1.870
  340    HE1  TYR  51           HE1      TYR  51   1.808  13.025  -0.001
  341    HE2  TYR  51           HE2      TYR  51  -1.501  10.275   0.169
  342    HH   TYR  51           HH       TYR  51  -1.265  11.908  -1.442
  343    H    ASP  52           H        ASP  52   3.436   6.922   4.223
  344    HA   ASP  52           HA       ASP  52   6.088   7.426   3.328
  345   1HB   ASP  52          1HB       ASP  52   5.112   5.780   5.726
  346   2HB   ASP  52          2HB       ASP  52   6.842   6.106   5.398
  347    HD2  ASP  52           HD2      ASP  52   6.656   9.083   7.007
  348    H    THR  53           H        THR  53   7.847   6.246   3.052
  349    HA   THR  53           HA       THR  53   7.588   3.789   1.623
  350    HB   THR  53           HB       THR  53  10.097   3.839   1.516
  351    HG1  THR  53           HG1      THR  53  11.162   5.546   2.344
  352   1HG2  THR  53          1HG2      THR  53   8.554   6.401   0.694
  353   2HG2  THR  53          2HG2      THR  53   8.818   4.914  -0.283
  354   3HG2  THR  53          3HG2      THR  53  10.202   5.971   0.117
  355    H    HIS  54           H        HIS  54   8.578   1.774   2.131
  356    HA   HIS  54           HA       HIS  54   9.980   1.541   4.564
  357   1HB   HIS  54          1HB       HIS  54   7.309   0.011   4.351
  358   2HB   HIS  54          2HB       HIS  54   8.688  -0.563   5.377
  359    HD1  HIS  54           HD1      HIS  54   5.705   0.695   5.905
  360    HD2  HIS  54           HD2      HIS  54   9.473   2.024   7.168
  361    HE1  HIS  54           HE1      HIS  54   5.353   2.009   8.001
  362    HE2  HIS  54           HE2      HIS  54   7.650   2.810   8.755
  363    H    LYS  55           H        LYS  55   8.808  -1.559   3.271
  364    HA   LYS  55           HA       LYS  55  11.097  -1.554   1.484
  365   1HB   LYS  55          1HB       LYS  55  11.801  -3.727   2.646
  366   2HB   LYS  55          2HB       LYS  55  12.081  -2.203   3.542
  367   1HG   LYS  55          1HG       LYS  55  10.114  -2.568   4.979
  368   2HG   LYS  55          2HG       LYS  55   9.681  -4.051   4.075
  369   1HD   LYS  55          1HD       LYS  55  11.957  -5.014   4.754
  370   2HD   LYS  55          2HD       LYS  55  12.149  -3.585   5.835
  371   1HE   LYS  55          1HE       LYS  55   9.973  -4.219   6.994
  372   2HE   LYS  55          2HE       LYS  55   9.854  -5.666   5.911
  373   1HZ   LYS  55          1HZ       LYS  55  10.816  -6.302   7.960
  374   2HZ   LYS  55          2HZ       LYS  55  11.981  -5.064   7.903
  375   3HZ   LYS  55          3HZ       LYS  55  12.046  -6.348   6.788
  376    H    PHE  56           H        PHE  56   9.496  -4.502   2.550
  377    HA   PHE  56           HA       PHE  56   9.391  -5.094  -0.240
  378   1HB   PHE  56          1HB       PHE  56  10.169  -6.725   1.499
  379   2HB   PHE  56          2HB       PHE  56   8.462  -6.878   2.075
  380    HD1  PHE  56           HD1      PHE  56   7.299  -8.710   1.162
  381    HD2  PHE  56           HD2      PHE  56  10.463  -6.935  -1.155
  382    HE1  PHE  56           HE1      PHE  56   6.959 -10.397  -0.593
  383    HE2  PHE  56           HE2      PHE  56  10.129  -8.620  -2.907
  384    HZ   PHE  56           HZ       PHE  56   8.371 -10.366  -2.649
  385    H    CYS  57           H        CYS  57   7.711  -5.496  -1.620
  386    HA   CYS  57           HA       CYS  57   5.159  -4.322  -0.858
  387   1HB   CYS  57          1HB       CYS  57   6.127  -3.613  -2.987
  388   2HB   CYS  57          2HB       CYS  57   6.167  -5.308  -3.568
  389    H    TYR  58           H        TYR  58   3.546  -5.471  -0.059
  390    HA   TYR  58           HA       TYR  58   3.246  -8.306  -0.684
  391   1HB   TYR  58          1HB       TYR  58   2.736  -7.089   1.540
  392   2HB   TYR  58          2HB       TYR  58   1.196  -6.584   0.749
  393    HD1  TYR  58           HD1      TYR  58   0.007  -8.744  -0.542
  394    HD2  TYR  58           HD2      TYR  58   2.587  -8.976   2.884
  395    HE1  TYR  58           HE1      TYR  58  -1.076 -10.812   0.113
  396    HE2  TYR  58           HE2      TYR  58   1.542 -11.020   3.540
  397    HH   TYR  58           HH       TYR  58  -1.227 -12.449   1.643
  398    H    LYS  59           H        LYS  59   2.289  -8.947  -2.326
  399    HA   LYS  59           HA       LYS  59   1.206  -7.557  -4.445
  400   1HB   LYS  59          1HB       LYS  59   0.784 -10.432  -3.506
  401   2HB   LYS  59          2HB       LYS  59   0.237  -9.847  -5.108
  402   1HG   LYS  59          1HG       LYS  59   2.547  -9.340  -5.802
  403   2HG   LYS  59          2HG       LYS  59   3.193  -9.761  -4.193
  404   1HD   LYS  59          1HD       LYS  59   2.314 -12.109  -4.456
  405   2HD   LYS  59          2HD       LYS  59   1.799 -11.701  -6.131
  406   1HE   LYS  59          1HE       LYS  59   4.178 -11.193  -6.754
  407   2HE   LYS  59          2HE       LYS  59   4.695 -11.506  -5.044
  408   1HZ   LYS  59          1HZ       LYS  59   3.425 -13.478  -6.876
  409   2HZ   LYS  59          2HZ       LYS  59   3.917 -13.758  -5.273
  410   3HZ   LYS  59          3HZ       LYS  59   5.071 -13.391  -6.462
  411    H    ALA  60           H        ALA  60  -0.966  -7.782  -5.472
  412    HA   ALA  60           HA       ALA  60  -2.970  -6.824  -3.753
  413   1HB   ALA  60          1HB       ALA  60  -4.390  -6.926  -5.781
  414   2HB   ALA  60          2HB       ALA  60  -3.158  -7.996  -6.572
  415   3HB   ALA  60          3HB       ALA  60  -2.738  -6.296  -6.182
  416    H    CYS  61           H        CYS  61  -3.981  -7.844  -2.306
  417    HA   CYS  61           HA       CYS  61  -3.668 -10.653  -2.136
  418   1HB   CYS  61          1HB       CYS  61  -3.890 -10.355   0.227
  419   2HB   CYS  61          2HB       CYS  61  -2.994  -8.955  -0.419
  420    H    HIS  62           H        HIS  62  -5.842  -9.950  -3.925
  421    HA   HIS  62           HA       HIS  62  -8.311 -10.518  -2.502
  422   1HB   HIS  62          1HB       HIS  62  -7.899 -10.795  -5.522
  423   2HB   HIS  62          2HB       HIS  62  -9.439 -10.723  -4.646
  424    HD1  HIS  62           HD1      HIS  62 -10.169  -8.753  -6.011
  425    HD2  HIS  62           HD2      HIS  62  -6.664  -7.933  -3.860
  426    HE1  HIS  62           HE1      HIS  62  -9.765  -6.275  -6.165
  427    HE2  HIS  62           HE2      HIS  62  -7.621  -5.813  -4.887
  428    H    ASN  63           H        ASN  63  -5.970 -12.401  -4.342
  429    HA   ASN  63           HA       ASN  63  -7.109 -14.943  -4.115
  430   1HB   ASN  63          1HB       ASN  63  -4.443 -15.441  -4.418
  431   2HB   ASN  63          2HB       ASN  63  -5.478 -14.914  -5.756
  432   1HD2  ASN  63          1HD2      ASN  63  -4.920 -12.871  -6.824
  433   2HD2  ASN  63          2HD2      ASN  63  -3.920 -11.691  -6.079
  434    H    SER  64           H        SER  64  -4.263 -13.660  -2.569
  435    HA   SER  64           HA       SER  64  -4.665 -15.530  -0.304
  436   1HB   SER  64          1HB       SER  64  -2.759 -15.749  -2.038
  437   2HB   SER  64          2HB       SER  64  -2.039 -14.294  -1.296
  438    HG   SER  64           HG       SER  64  -2.625 -16.837  -0.088
  439    H    GLU  65           H        GLU  65  -6.078 -13.523   0.478
  440    HA   GLU  65           HA       GLU  65  -4.787 -11.509   1.847
  441   1HB   GLU  65          1HB       GLU  65  -6.689 -10.898   2.901
  442   2HB   GLU  65          2HB       GLU  65  -7.239 -11.571   1.349
  443   1HG   GLU  65          1HG       GLU  65  -8.092 -13.640   2.493
  444   2HG   GLU  65          2HG       GLU  65  -7.295 -13.157   4.032
  445    HE2  GLU  65           HE2      GLU  65 -10.680 -11.344   2.884
  446    H    ILE  66           H        ILE  66  -4.801 -14.736   2.672
  447    HA   ILE  66           HA       ILE  66  -2.833 -14.242   4.624
  448    HB   ILE  66           HB       ILE  66  -4.520 -13.873   6.154
  449   1HG1  ILE  66          1HG1      ILE  66  -3.453 -16.737   6.555
  450   2HG1  ILE  66          2HG1      ILE  66  -2.484 -15.234   6.744
  451   1HG2  ILE  66          1HG2      ILE  66  -6.431 -15.010   4.933
  452   2HG2  ILE  66          2HG2      ILE  66  -6.370 -15.265   6.700
  453   3HG2  ILE  66          3HG2      ILE  66  -5.859 -16.591   5.621
  454   1HD1  ILE  66          1HD1      ILE  66  -4.984 -16.007   8.411
  455   2HD1  ILE  66          2HD1      ILE  66  -4.032 -14.486   8.607
  456   3HD1  ILE  66          3HD1      ILE  66  -3.274 -16.075   8.968
  457    H    GLU  67           H        GLU  67  -5.019 -17.126   3.794
  458    HA   GLU  67           HA       GLU  67  -2.828 -18.271   2.428
  459   1HB   GLU  67          1HB       GLU  67  -2.757 -20.341   3.817
  460   2HB   GLU  67          2HB       GLU  67  -2.209 -18.905   4.752
  461   1HG   GLU  67          1HG       GLU  67  -4.643 -18.745   5.688
  462   2HG   GLU  67          2HG       GLU  67  -4.938 -20.359   4.950
  463    HE2  GLU  67           HE2      GLU  67  -3.544 -20.292   8.481
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1   3.788 -20.137  10.051
    2   2H    GLY   1          2H        GLY   1   3.150 -20.783   8.616
    3   3H    GLY   1          3H        GLY   1   2.256 -20.876  10.058
    4   1HA   GLY   1          1HA       GLY   1   3.005 -18.424   8.618
    5   2HA   GLY   1          2HA       GLY   1   1.376 -19.206   8.640
    6    H    ASP   2           H        ASP   2   3.089 -16.651   9.870
    7    HA   ASP   2           HA       ASP   2   1.244 -16.250  12.115
    8   1HB   ASP   2          1HB       ASP   2   4.335 -16.257  12.490
    9   2HB   ASP   2          2HB       ASP   2   3.122 -15.783  13.727
   10    HD2  ASP   2           HD2      ASP   2   4.070 -19.582  13.105
   11    H    ASP   3           H        ASP   3   0.501 -14.352  11.195
   12    HA   ASP   3           HA       ASP   3   0.388 -12.329  10.438
   13   1HB   ASP   3          1HB       ASP   3   3.277 -11.786  11.219
   14   2HB   ASP   3          2HB       ASP   3   2.025 -10.576  10.772
   15    HD2  ASP   3           HD2      ASP   3   2.301 -11.543  14.477
   16    H    VAL   4           H        VAL   4   0.047 -13.397   8.547
   17    HA   VAL   4           HA       VAL   4   2.168 -13.228   6.502
   18    HB   VAL   4           HB       VAL   4   0.844 -14.898   5.247
   19   1HG1  VAL   4          1HG1      VAL   4   1.565 -16.822   6.642
   20   2HG1  VAL   4          2HG1      VAL   4   1.726 -15.756   8.084
   21   3HG1  VAL   4          3HG1      VAL   4   2.812 -15.529   6.668
   22   1HG2  VAL   4          1HG2      VAL   4  -0.807 -15.238   7.827
   23   2HG2  VAL   4          2HG2      VAL   4  -0.904 -16.188   6.309
   24   3HG2  VAL   4          3HG2      VAL   4  -1.407 -14.471   6.301
   25    H    LYS   5           H        LYS   5  -1.020 -11.940   7.233
   26    HA   LYS   5           HA       LYS   5  -1.086 -10.667   4.590
   27   1HB   LYS   5          1HB       LYS   5  -3.184 -11.234   6.748
   28   2HB   LYS   5          2HB       LYS   5  -3.543 -10.193   5.340
   29   1HG   LYS   5          1HG       LYS   5  -2.487 -12.993   4.780
   30   2HG   LYS   5          2HG       LYS   5  -4.137 -12.824   5.454
   31   1HD   LYS   5          1HD       LYS   5  -4.384 -12.906   3.064
   32   2HD   LYS   5          2HD       LYS   5  -4.779 -11.253   3.642
   33   1HE   LYS   5          1HE       LYS   5  -2.393 -10.538   2.877
   34   2HE   LYS   5          2HE       LYS   5  -2.251 -12.176   2.117
   35   1HZ   LYS   5          1HZ       LYS   5  -3.020 -10.550   0.564
   36   2HZ   LYS   5          2HZ       LYS   5  -4.299 -10.092   1.584
   37   3HZ   LYS   5          3HZ       LYS   5  -4.288 -11.636   0.882
   38    H    SER   6           H        SER   6   0.717 -10.004   6.646
   39    HA   SER   6           HA       SER   6   0.026  -7.958   8.323
   40   1HB   SER   6          1HB       SER   6   2.712  -8.272   6.839
   41   2HB   SER   6          2HB       SER   6   2.451  -7.305   8.343
   42    HG   SER   6           HG       SER   6   3.258  -9.355   8.805
   43    H    ALA   7           H        ALA   7   0.823  -7.688   4.934
   44    HA   ALA   7           HA       ALA   7  -0.110  -4.933   4.861
   45   1HB   ALA   7          1HB       ALA   7   2.406  -4.821   4.961
   46   2HB   ALA   7          2HB       ALA   7   1.880  -4.447   3.287
   47   3HB   ALA   7          3HB       ALA   7   2.519  -6.099   3.686
   48    H    CYS   8           H        CYS   8  -0.707  -4.397   2.563
   49    HA   CYS   8           HA       CYS   8  -0.663  -6.656   0.747
   50   1HB   CYS   8          1HB       CYS   8  -2.905  -6.812   0.146
   51   2HB   CYS   8          2HB       CYS   8  -2.855  -6.963   1.926
   52    H    CYS   9           H        CYS   9  -0.634  -6.131  -1.469
   53    HA   CYS   9           HA       CYS   9  -0.580  -3.242  -2.069
   54   1HB   CYS   9          1HB       CYS   9   1.543  -4.198  -0.876
   55   2HB   CYS   9          2HB       CYS   9   1.827  -5.144  -2.348
   56    H    ASP  10           H        ASP  10  -2.273  -3.751  -3.733
   57    HA   ASP  10           HA       ASP  10  -1.818  -5.864  -5.537
   58   1HB   ASP  10          1HB       ASP  10  -3.650  -3.412  -5.671
   59   2HB   ASP  10          2HB       ASP  10  -3.764  -4.734  -6.824
   60    HD2  ASP  10           HD2      ASP  10  -3.959  -6.811  -5.980
   61    H    THR  11           H        THR  11  -0.803  -2.537  -5.762
   62    HA   THR  11           HA       THR  11   0.624  -3.051  -8.258
   63    HB   THR  11           HB       THR  11  -1.506  -0.838  -7.961
   64    HG1  THR  11           HG1      THR  11  -2.700  -2.439  -8.721
   65   1HG2  THR  11          1HG2      THR  11   0.352  -1.578 -10.338
   66   2HG2  THR  11          2HG2      THR  11   0.485  -0.081  -9.344
   67   3HG2  THR  11          3HG2      THR  11  -0.956  -0.346 -10.373
   68    H    CYS  12           H        CYS  12   2.491  -1.867  -8.241
   69    HA   CYS  12           HA       CYS  12   2.884   0.167  -6.191
   70   1HB   CYS  12          1HB       CYS  12   4.464  -1.327  -5.018
   71   2HB   CYS  12          2HB       CYS  12   2.828  -2.095  -5.193
   72    H    LEU  13           H        LEU  13   5.109   0.756  -5.918
   73    HA   LEU  13           HA       LEU  13   6.715   0.683  -8.378
   74   1HB   LEU  13          1HB       LEU  13   4.900   2.382  -8.554
   75   2HB   LEU  13          2HB       LEU  13   5.436   3.160  -7.041
   76    HG   LEU  13           HG       LEU  13   7.175   2.869  -9.593
   77   1HD1  LEU  13          1HD1      LEU  13   5.038   4.075 -10.091
   78   2HD1  LEU  13          2HD1      LEU  13   6.455   5.189 -10.172
   79   3HD1  LEU  13          3HD1      LEU  13   5.364   5.217  -8.738
   80   1HD2  LEU  13          1HD2      LEU  13   7.389   4.786  -7.178
   81   2HD2  LEU  13          2HD2      LEU  13   8.367   4.915  -8.691
   82   3HD2  LEU  13          3HD2      LEU  13   8.560   3.487  -7.620
   83    H    CYS  14           H        CYS  14   8.513  -0.047  -7.561
   84    HA   CYS  14           HA       CYS  14   9.637   1.180  -5.167
   85   1HB   CYS  14          1HB       CYS  14  10.617  -1.219  -6.761
   86   2HB   CYS  14          2HB       CYS  14  11.456  -0.514  -5.373
   87    H    THR  15           H        THR  15  11.413   2.459  -5.160
   88    HA   THR  15           HA       THR  15  12.255   3.544  -7.687
   89    HB   THR  15           HB       THR  15  14.015   4.730  -6.462
   90    HG1  THR  15           HG1      THR  15  14.217   2.997  -4.892
   91   1HG2  THR  15          1HG2      THR  15  11.661   5.607  -6.658
   92   2HG2  THR  15          2HG2      THR  15  12.462   6.123  -5.123
   93   3HG2  THR  15          3HG2      THR  15  11.226   4.819  -5.101
   94    H    ARG  16           H        ARG  16  14.136   3.291  -8.860
   95    HA   ARG  16           HA       ARG  16  15.969   1.168  -8.155
   96   1HB   ARG  16          1HB       ARG  16  15.854   3.207 -10.427
   97   2HB   ARG  16          2HB       ARG  16  17.292   2.149 -10.151
   98   1HG   ARG  16          1HG       ARG  16  16.006   0.147 -10.299
   99   2HG   ARG  16          2HG       ARG  16  14.459   1.027 -10.548
  100   1HD   ARG  16          1HD       ARG  16  15.109   1.772 -12.769
  101   2HD   ARG  16          2HD       ARG  16  16.846   1.365 -12.485
  102    HE   ARG  16           HE       ARG  16  14.575  -0.635 -12.735
  103   1HH1  ARG  16          1HH1      ARG  16  18.084   0.075 -12.892
  104   2HH1  ARG  16          2HH1      ARG  16  18.527  -1.587 -13.084
  105   1HH2  ARG  16          1HH2      ARG  16  15.222  -2.850 -12.940
  106   2HH2  ARG  16          2HH2      ARG  16  16.896  -3.256 -13.110
  107    H    SER  17           H        SER  17  17.505   1.499  -6.623
  108    HA   SER  17           HA       SER  17  18.994   3.852  -6.212
  109   1HB   SER  17          1HB       SER  17  16.514   4.477  -5.415
  110   2HB   SER  17          2HB       SER  17  16.858   3.381  -4.047
  111    HG   SER  17           HG       SER  17  17.367   5.467  -3.510
  112    H    GLN  18           H        GLN  18  19.575   3.590  -3.574
  113    HA   GLN  18           HA       GLN  18  19.934   0.797  -2.854
  114   1HB   GLN  18          1HB       GLN  18  22.372   2.640  -3.220
  115   2HB   GLN  18          2HB       GLN  18  22.356   0.957  -2.594
  116   1HG   GLN  18          1HG       GLN  18  23.152   0.529  -4.699
  117   2HG   GLN  18          2HG       GLN  18  21.407   0.340  -5.030
  118   1HE2  GLN  18          1HE2      GLN  18  21.186   1.212  -7.131
  119   2HE2  GLN  18          2HE2      GLN  18  21.654   2.855  -7.546
  120    HA   PRO  19           HA       PRO  19  18.921   0.105  -1.106
  121   1HB   PRO  19          1HB       PRO  19  17.202   0.429   1.043
  122   2HB   PRO  19          2HB       PRO  19  18.970   0.029   1.296
  123   1HG   PRO  19          1HG       PRO  19  17.673   2.826   1.304
  124   2HG   PRO  19          2HG       PRO  19  18.661   2.074   2.624
  125   1HD   PRO  19          1HD       PRO  19  19.809   3.704   0.734
  126   2HD   PRO  19          2HD       PRO  19  20.678   2.205   1.305
  127    HA   PRO  20           HA       PRO  20  15.484   2.037  -3.201
  128   1HB   PRO  20          1HB       PRO  20  13.470   0.144  -3.162
  129   2HB   PRO  20          2HB       PRO  20  15.045  -0.173  -3.994
  130   1HG   PRO  20          1HG       PRO  20  14.264  -0.945  -1.126
  131   2HG   PRO  20          2HG       PRO  20  14.852  -2.042  -2.448
  132   1HD   PRO  20          1HD       PRO  20  16.556  -0.947  -0.568
  133   2HD   PRO  20          2HD       PRO  20  17.088  -1.138  -2.311
  134    H    THR  21           H        THR  21  13.036   2.385  -2.980
  135    HA   THR  21           HA       THR  21  12.033   2.951  -0.314
  136    HB   THR  21           HB       THR  21  12.198   5.080  -2.549
  137    HG1  THR  21           HG1      THR  21  14.296   4.809  -1.854
  138   1HG2  THR  21          1HG2      THR  21  11.498   6.584  -0.722
  139   2HG2  THR  21          2HG2      THR  21  11.839   5.331   0.529
  140   3HG2  THR  21          3HG2      THR  21  10.460   5.122  -0.592
  141    H    CYS  22           H        CYS  22   9.856   2.313  -0.538
  142    HA   CYS  22           HA       CYS  22   8.775   2.252  -3.292
  143   1HB   CYS  22          1HB       CYS  22  10.241   0.217  -2.777
  144   2HB   CYS  22          2HB       CYS  22   9.141  -0.206  -1.462
  145    H    ARG  23           H        ARG  23   6.595   1.462  -3.397
  146    HA   ARG  23           HA       ARG  23   4.935   1.703  -1.059
  147   1HB   ARG  23          1HB       ARG  23   5.917   4.129  -2.078
  148   2HB   ARG  23          2HB       ARG  23   4.382   3.978  -2.957
  149   1HG   ARG  23          1HG       ARG  23   3.209   3.750  -0.680
  150   2HG   ARG  23          2HG       ARG  23   4.789   3.999   0.107
  151   1HD   ARG  23          1HD       ARG  23   3.554   6.168   0.048
  152   2HD   ARG  23          2HD       ARG  23   4.953   6.269  -1.073
  153    HE   ARG  23           HE       ARG  23   3.547   6.282  -2.908
  154   1HH1  ARG  23          1HH1      ARG  23   1.506   5.470  -0.045
  155   2HH1  ARG  23          2HH1      ARG  23   0.052   5.455  -0.966
  156   1HH2  ARG  23          1HH2      ARG  23   1.652   6.215  -4.060
  157   2HH2  ARG  23          2HH2      ARG  23   0.119   5.858  -3.321
  158    H    CYS  24           H        CYS  24   2.793   1.390  -1.441
  159    HA   CYS  24           HA       CYS  24   2.028   0.112  -3.905
  160   1HB   CYS  24          1HB       CYS  24   0.495   0.579  -1.268
  161   2HB   CYS  24          2HB       CYS  24   0.058  -0.594  -2.539
  162    H    VAL  25           H        VAL  25   1.230   1.407  -5.558
  163    HA   VAL  25           HA       VAL  25   0.392   4.043  -5.080
  164    HB   VAL  25           HB       VAL  25   0.126   4.311  -7.419
  165   1HG1  VAL  25          1HG1      VAL  25   2.454   4.282  -6.399
  166   2HG1  VAL  25          2HG1      VAL  25   2.446   3.755  -8.115
  167   3HG1  VAL  25          3HG1      VAL  25   2.610   2.538  -6.809
  168   1HG2  VAL  25          1HG2      VAL  25   0.454   2.369  -8.994
  169   2HG2  VAL  25          2HG2      VAL  25  -1.014   2.141  -7.989
  170   3HG2  VAL  25          3HG2      VAL  25   0.504   1.248  -7.593
  171    H    ASP  26           H        ASP  26  -1.254   1.086  -4.956
  172    HA   ASP  26           HA       ASP  26  -3.798   2.139  -5.744
  173   1HB   ASP  26          1HB       ASP  26  -4.737  -0.046  -5.318
  174   2HB   ASP  26          2HB       ASP  26  -3.214  -0.206  -6.260
  175    HD2  ASP  26           HD2      ASP  26  -1.612  -1.361  -3.238
  176    H    VAL  27           H        VAL  27  -5.467   2.869  -4.583
  177    HA   VAL  27           HA       VAL  27  -5.186   3.272  -1.712
  178    HB   VAL  27           HB       VAL  27  -6.550   4.415  -4.014
  179   1HG1  VAL  27          1HG1      VAL  27  -8.576   3.225  -3.268
  180   2HG1  VAL  27          2HG1      VAL  27  -8.693   4.992  -3.075
  181   3HG1  VAL  27          3HG1      VAL  27  -8.418   3.969  -1.616
  182   1HG2  VAL  27          1HG2      VAL  27  -6.212   5.353  -1.092
  183   2HG2  VAL  27          2HG2      VAL  27  -6.721   6.381  -2.483
  184   3HG2  VAL  27          3HG2      VAL  27  -5.076   5.659  -2.470
  185    H    ARG  28           H        ARG  28  -6.366   2.278  -0.073
  186    HA   ARG  28           HA       ARG  28  -8.648   0.728  -0.996
  187   1HB   ARG  28          1HB       ARG  28  -6.398  -0.259   0.772
  188   2HB   ARG  28          2HB       ARG  28  -8.066  -0.857   1.093
  189   1HG   ARG  28          1HG       ARG  28  -6.558  -1.160  -1.563
  190   2HG   ARG  28          2HG       ARG  28  -6.794  -2.440  -0.322
  191   1HD   ARG  28          1HD       ARG  28  -9.350  -2.223  -0.669
  192   2HD   ARG  28          2HD       ARG  28  -9.013  -1.016  -1.951
  193    HE   ARG  28           HE       ARG  28  -8.254  -2.683  -3.410
  194   1HH1  ARG  28          1HH1      ARG  28  -8.720  -4.242  -0.180
  195   2HH1  ARG  28          2HH1      ARG  28  -8.732  -5.825  -0.864
  196   1HH2  ARG  28          1HH2      ARG  28  -8.244  -4.824  -4.209
  197   2HH2  ARG  28          2HH2      ARG  28  -8.395  -6.170  -3.121
  198    H    GLU  29           H        GLU  29 -10.239   0.420   0.690
  199    HA   GLU  29           HA       GLU  29 -10.707   2.582   2.406
  200   1HB   GLU  29          1HB       GLU  29 -11.812  -0.246   2.140
  201   2HB   GLU  29          2HB       GLU  29 -12.460   0.963   3.312
  202   1HG   GLU  29          1HG       GLU  29 -12.977   2.536   1.424
  203   2HG   GLU  29          2HG       GLU  29 -12.343   1.365   0.231
  204    HE2  GLU  29           HE2      GLU  29 -15.862   0.594   2.074
  205    H    SER  30           H        SER  30  -9.522  -0.687   3.017
  206    HA   SER  30           HA       SER  30  -8.776  -0.117   5.713
  207   1HB   SER  30          1HB       SER  30  -7.899  -2.554   4.044
  208   2HB   SER  30          2HB       SER  30  -7.602  -2.306   5.796
  209    HG   SER  30           HG       SER  30  -9.380  -3.556   5.604
  210    H    CYS  31           H        CYS  31  -6.793   0.033   6.646
  211    HA   CYS  31           HA       CYS  31  -4.410   0.267   4.968
  212   1HB   CYS  31          1HB       CYS  31  -5.325   2.580   5.421
  213   2HB   CYS  31          2HB       CYS  31  -5.210   2.257   7.206
  214    H    HIS  32           H        HIS  32  -2.426  -0.198   6.370
  215    HA   HIS  32           HA       HIS  32  -3.118  -1.362   8.987
  216   1HB   HIS  32          1HB       HIS  32  -2.981  -3.184   7.366
  217   2HB   HIS  32          2HB       HIS  32  -1.343  -2.612   6.840
  218    HD1  HIS  32           HD1      HIS  32  -3.088  -4.857   8.985
  219    HD2  HIS  32           HD2      HIS  32   0.632  -2.965   9.083
  220    HE1  HIS  32           HE1      HIS  32  -1.711  -6.110  10.643
  221    HE2  HIS  32           HE2      HIS  32   0.570  -4.950  10.718
  222    H    SER  33           H        SER  33  -1.586  -0.983  10.536
  223    HA   SER  33           HA       SER  33   0.278   1.174   9.827
  224   1HB   SER  33          1HB       SER  33  -0.594   0.054  12.543
  225   2HB   SER  33          2HB       SER  33   0.675   1.328  12.373
  226    HG   SER  33           HG       SER  33  -1.595   2.027  12.700
  227    H    ALA  34           H        ALA  34   1.426  -0.625   8.531
  228    HA   ALA  34           HA       ALA  34   3.687  -1.503  10.214
  229   1HB   ALA  34          1HB       ALA  34   4.217  -3.039   8.230
  230   2HB   ALA  34          2HB       ALA  34   2.669  -2.504   7.461
  231   3HB   ALA  34          3HB       ALA  34   2.645  -3.443   9.002
  232    H    CYS  35           H        CYS  35   3.130   1.092   9.659
  233    HA   CYS  35           HA       CYS  35   4.951   1.952   7.511
  234   1HB   CYS  35          1HB       CYS  35   2.145   2.938   8.275
  235   2HB   CYS  35          2HB       CYS  35   3.168   3.695   6.998
  236    H    ASP  36           H        ASP  36   3.968   4.729   8.185
  237    HA   ASP  36           HA       ASP  36   4.882   5.113  10.934
  238   1HB   ASP  36          1HB       ASP  36   6.149   6.430   8.443
  239   2HB   ASP  36          2HB       ASP  36   6.176   7.230  10.053
  240    HD2  ASP  36           HD2      ASP  36   7.873   5.298   8.145
  241    H    LYS  37           H        LYS  37   3.671   7.077   8.064
  242    HA   LYS  37           HA       LYS  37   1.356   7.653   9.758
  243   1HB   LYS  37          1HB       LYS  37   2.873   9.621   9.286
  244   2HB   LYS  37          2HB       LYS  37   2.663   9.347   7.540
  245   1HG   LYS  37          1HG       LYS  37   1.283  11.208   8.409
  246   2HG   LYS  37          2HG       LYS  37   0.275   9.920   7.674
  247   1HD   LYS  37          1HD       LYS  37  -0.486   9.136   9.846
  248   2HD   LYS  37          2HD       LYS  37   0.838  10.007  10.692
  249   1HE   LYS  37          1HE       LYS  37  -1.379  11.097  11.060
  250   2HE   LYS  37          2HE       LYS  37  -0.212  12.197  10.221
  251   1HZ   LYS  37          1HZ       LYS  37  -2.427  12.226   9.274
  252   2HZ   LYS  37          2HZ       LYS  37  -2.313  10.576   8.878
  253   3HZ   LYS  37          3HZ       LYS  37  -1.257  11.702   8.162
  254    H    CYS  38           H        CYS  38  -0.426   6.460   9.047
  255    HA   CYS  38           HA       CYS  38  -0.952   6.351   6.194
  256   1HB   CYS  38          1HB       CYS  38  -1.356   4.428   7.790
  257   2HB   CYS  38          2HB       CYS  38  -2.615   5.454   8.580
  258    H    VAL  39           H        VAL  39  -2.371   7.705   5.094
  259    HA   VAL  39           HA       VAL  39  -3.772   9.756   6.680
  260    HB   VAL  39           HB       VAL  39  -2.582   9.597   3.887
  261   1HG1  VAL  39          1HG1      VAL  39  -4.318  11.811   5.145
  262   2HG1  VAL  39          2HG1      VAL  39  -4.690  10.833   3.658
  263   3HG1  VAL  39          3HG1      VAL  39  -3.313  11.994   3.650
  264   1HG2  VAL  39          1HG2      VAL  39  -1.298  11.630   4.738
  265   2HG2  VAL  39          2HG2      VAL  39  -0.937  10.118   5.666
  266   3HG2  VAL  39          3HG2      VAL  39  -2.044  11.372   6.359
  267    H    CYS  40           H        CYS  40  -6.053   9.914   6.187
  268    HA   CYS  40           HA       CYS  40  -7.066   7.928   4.299
  269   1HB   CYS  40          1HB       CYS  40  -6.596   7.186   6.745
  270   2HB   CYS  40          2HB       CYS  40  -8.070   8.093   7.169
  271    H    ALA  41           H        ALA  41  -8.197   9.101   3.003
  272    HA   ALA  41           HA       ALA  41  -9.584  11.509   3.772
  273   1HB   ALA  41          1HB       ALA  41 -10.270  11.756   1.479
  274   2HB   ALA  41          2HB       ALA  41  -9.695  10.096   1.084
  275   3HB   ALA  41          3HB       ALA  41  -8.511  11.372   1.555
  276    H    TYR  42           H        TYR  42 -11.769  11.941   3.855
  277    HA   TYR  42           HA       TYR  42 -13.222   9.750   4.923
  278   1HB   TYR  42          1HB       TYR  42 -14.839  11.464   5.684
  279   2HB   TYR  42          2HB       TYR  42 -13.132  11.926   6.010
  280    HD1  TYR  42           HD1      TYR  42 -16.041  12.559   3.680
  281    HD2  TYR  42           HD2      TYR  42 -12.210  13.950   5.064
  282    HE1  TYR  42           HE1      TYR  42 -16.362  14.674   2.469
  283    HE2  TYR  42           HE2      TYR  42 -12.534  16.050   3.855
  284    HH   TYR  42           HH       TYR  42 -15.490  16.680   1.913
  285    H    SER  43           H        SER  43 -12.901  10.511   1.923
  286    HA   SER  43           HA       SER  43 -15.194  11.201   0.697
  287   1HB   SER  43          1HB       SER  43 -12.983   9.498  -0.560
  288   2HB   SER  43          2HB       SER  43 -14.025  10.789  -1.362
  289    HG   SER  43           HG       SER  43 -11.825  11.375  -0.752
  290    H    ASN  44           H        ASN  44 -15.209   9.326  -1.609
  291    HA   ASN  44           HA       ASN  44 -16.881   7.185  -0.565
  292   1HB   ASN  44          1HB       ASN  44 -18.050   9.417  -0.921
  293   2HB   ASN  44          2HB       ASN  44 -17.655   9.321  -2.651
  294   1HD2  ASN  44          1HD2      ASN  44 -18.380   6.912  -3.576
  295   2HD2  ASN  44          2HD2      ASN  44 -19.931   6.371  -3.064
  296    HA   PRO  45           HA       PRO  45 -16.351   5.234  -0.576
  297   1HB   PRO  45          1HB       PRO  45 -14.613   3.138  -0.904
  298   2HB   PRO  45          2HB       PRO  45 -16.114   3.220  -1.837
  299   1HG   PRO  45          1HG       PRO  45 -13.342   4.195  -2.745
  300   2HG   PRO  45          2HG       PRO  45 -14.422   3.048  -3.620
  301   1HD   PRO  45          1HD       PRO  45 -14.396   5.771  -4.162
  302   2HD   PRO  45          2HD       PRO  45 -15.948   4.815  -4.228
  303    HA   PRO  46           HA       PRO  46 -13.065   7.244   1.461
  304   1HB   PRO  46          1HB       PRO  46 -12.459   5.757   3.739
  305   2HB   PRO  46          2HB       PRO  46 -13.947   6.749   3.519
  306   1HG   PRO  46          1HG       PRO  46 -13.657   3.745   3.153
  307   2HG   PRO  46          2HG       PRO  46 -14.980   4.708   3.952
  308   1HD   PRO  46          1HD       PRO  46 -15.113   3.700   1.333
  309   2HD   PRO  46          2HD       PRO  46 -15.959   5.282   1.865
  310    H    GLN  47           H        GLN  47 -10.740   7.382   1.894
  311    HA   GLN  47           HA       GLN  47  -9.358   5.409   0.169
  312   1HB   GLN  47          1HB       GLN  47  -8.739   8.390   0.492
  313   2HB   GLN  47          2HB       GLN  47  -8.005   7.282  -0.691
  314   1HG   GLN  47          1HG       GLN  47 -11.045   7.940  -0.760
  315   2HG   GLN  47          2HG       GLN  47  -9.812   9.059  -1.418
  316   1HE2  GLN  47          1HE2      GLN  47  -8.330   8.249  -3.066
  317   2HE2  GLN  47          2HE2      GLN  47  -8.985   7.155  -4.249
  318    H    CYS  48           H        CYS  48  -7.388   4.665   1.003
  319    HA   CYS  48           HA       CYS  48  -6.182   6.100   3.236
  320   1HB   CYS  48          1HB       CYS  48  -8.133   4.047   3.558
  321   2HB   CYS  48          2HB       CYS  48  -6.593   3.192   3.732
  322    H    GLN  49           H        GLN  49  -4.083   5.953   3.164
  323    HA   GLN  49           HA       GLN  49  -2.654   3.756   1.981
  324   1HB   GLN  49          1HB       GLN  49  -2.682   6.648   0.988
  325   2HB   GLN  49          2HB       GLN  49  -1.240   5.598   0.674
  326   1HG   GLN  49          1HG       GLN  49  -2.670   3.966  -0.596
  327   2HG   GLN  49          2HG       GLN  49  -4.067   5.083  -0.426
  328   1HE2  GLN  49          1HE2      GLN  49  -3.267   7.543  -1.041
  329   2HE2  GLN  49          2HE2      GLN  49  -2.383   7.657  -2.521
  330    H    CYS  50           H        CYS  50  -0.525   3.683   2.654
  331    HA   CYS  50           HA       CYS  50   0.279   5.437   4.828
  332   1HB   CYS  50          1HB       CYS  50   1.749   3.179   3.381
  333   2HB   CYS  50          2HB       CYS  50   2.467   4.135   4.697
  334    H    TYR  51           H        TYR  51   0.822   7.416   4.418
  335    HA   TYR  51           HA       TYR  51   1.828   8.496   2.042
  336   1HB   TYR  51          1HB       TYR  51   1.299   9.453   4.860
  337   2HB   TYR  51          2HB       TYR  51   2.669  10.283   4.074
  338    HD1  TYR  51           HD1      TYR  51  -0.609   8.908   2.598
  339    HD2  TYR  51           HD2      TYR  51   1.812  12.433   3.364
  340    HE1  TYR  51           HE1      TYR  51  -2.007  10.213   1.144
  341    HE2  TYR  51           HE2      TYR  51   0.364  13.711   1.963
  342    HH   TYR  51           HH       TYR  51  -1.480  13.709   0.587
  343    H    ASP  52           H        ASP  52   3.528   7.159   4.701
  344    HA   ASP  52           HA       ASP  52   6.071   8.211   3.821
  345   1HB   ASP  52          1HB       ASP  52   5.631   7.643   6.241
  346   2HB   ASP  52          2HB       ASP  52   5.588   5.896   5.785
  347    HD2  ASP  52           HD2      ASP  52   8.952   5.700   6.234
  348    H    THR  53           H        THR  53   6.912   7.646   1.877
  349    HA   THR  53           HA       THR  53   6.779   5.207   0.656
  350    HB   THR  53           HB       THR  53   9.181   7.020   0.256
  351    HG1  THR  53           HG1      THR  53   7.909   8.457  -0.801
  352   1HG2  THR  53          1HG2      THR  53   8.629   6.575  -2.106
  353   2HG2  THR  53          2HG2      THR  53   7.010   5.931  -1.669
  354   3HG2  THR  53          3HG2      THR  53   8.484   4.987  -1.268
  355    H    HIS  54           H        HIS  54   7.645   3.242   1.454
  356    HA   HIS  54           HA       HIS  54  10.330   3.292   2.440
  357   1HB   HIS  54          1HB       HIS  54   9.208   3.974   4.514
  358   2HB   HIS  54          2HB       HIS  54   8.091   2.605   4.446
  359    HD1  HIS  54           HD1      HIS  54   8.771   1.487   6.480
  360    HD2  HIS  54           HD2      HIS  54  12.076   2.026   3.952
  361    HE1  HIS  54           HE1      HIS  54  10.624   0.130   7.426
  362    HE2  HIS  54           HE2      HIS  54  12.633   0.448   5.875
  363    H    LYS  55           H        LYS  55   7.798   0.817   3.226
  364    HA   LYS  55           HA       LYS  55   9.727  -1.029   2.597
  365   1HB   LYS  55          1HB       LYS  55   8.328  -2.591   3.719
  366   2HB   LYS  55          2HB       LYS  55   8.167  -1.049   4.572
  367   1HG   LYS  55          1HG       LYS  55   6.126  -2.112   2.505
  368   2HG   LYS  55          2HG       LYS  55   6.062  -2.396   4.277
  369   1HD   LYS  55          1HD       LYS  55   5.941   0.111   4.657
  370   2HD   LYS  55          2HD       LYS  55   5.889   0.336   2.864
  371   1HE   LYS  55          1HE       LYS  55   3.617   0.481   3.793
  372   2HE   LYS  55          2HE       LYS  55   3.758  -0.992   2.751
  373   1HZ   LYS  55          1HZ       LYS  55   3.977  -0.953   5.726
  374   2HZ   LYS  55          2HZ       LYS  55   4.006  -2.319   4.720
  375   3HZ   LYS  55          3HZ       LYS  55   2.596  -1.388   4.837
  376    H    PHE  56           H        PHE  56   9.204  -3.135   1.524
  377    HA   PHE  56           HA       PHE  56   9.010  -2.434  -1.195
  378   1HB   PHE  56          1HB       PHE  56   9.721  -4.811  -1.639
  379   2HB   PHE  56          2HB       PHE  56  10.773  -3.964  -0.482
  380    HD1  PHE  56           HD1      PHE  56   8.286  -6.652  -0.919
  381    HD2  PHE  56           HD2      PHE  56  10.615  -4.478   1.988
  382    HE1  PHE  56           HE1      PHE  56   7.820  -8.378   0.747
  383    HE2  PHE  56           HE2      PHE  56  10.128  -6.199   3.659
  384    HZ   PHE  56           HZ       PHE  56   8.721  -8.160   3.066
  385    H    CYS  57           H        CYS  57   7.977  -4.194  -2.765
  386    HA   CYS  57           HA       CYS  57   5.171  -3.782  -2.370
  387   1HB   CYS  57          1HB       CYS  57   6.352  -3.385  -4.510
  388   2HB   CYS  57          2HB       CYS  57   6.665  -5.142  -4.667
  389    H    TYR  58           H        TYR  58   4.076  -5.015  -1.146
  390    HA   TYR  58           HA       TYR  58   4.612  -7.774  -0.666
  391   1HB   TYR  58          1HB       TYR  58   3.161  -5.720   0.679
  392   2HB   TYR  58          2HB       TYR  58   1.863  -6.804   0.138
  393    HD1  TYR  58           HD1      TYR  58   5.312  -6.838   1.625
  394    HD2  TYR  58           HD2      TYR  58   1.368  -8.593   1.737
  395    HE1  TYR  58           HE1      TYR  58   5.957  -8.185   3.521
  396    HE2  TYR  58           HE2      TYR  58   2.012  -9.935   3.627
  397    HH   TYR  58           HH       TYR  58   5.173  -9.557   5.240
  398    H    LYS  59           H        LYS  59   2.694  -9.203  -0.421
  399    HA   LYS  59           HA       LYS  59   1.574 -10.274  -2.687
  400   1HB   LYS  59          1HB       LYS  59   0.466 -10.280   0.158
  401   2HB   LYS  59          2HB       LYS  59  -0.009 -11.416  -1.157
  402   1HG   LYS  59          1HG       LYS  59   2.381 -12.304  -1.181
  403   2HG   LYS  59          2HG       LYS  59   2.777 -11.217   0.184
  404   1HD   LYS  59          1HD       LYS  59   0.708 -12.311   1.393
  405   2HD   LYS  59          2HD       LYS  59   0.907 -13.622   0.181
  406   1HE   LYS  59          1HE       LYS  59   3.076 -12.569   2.141
  407   2HE   LYS  59          2HE       LYS  59   2.137 -14.109   2.322
  408   1HZ   LYS  59          1HZ       LYS  59   4.254 -14.560   1.396
  409   2HZ   LYS  59          2HZ       LYS  59   4.053 -13.406   0.166
  410   3HZ   LYS  59          3HZ       LYS  59   3.090 -14.803   0.180
  411    H    ALA  60           H        ALA  60  -0.646 -10.395  -3.421
  412    HA   ALA  60           HA       ALA  60  -1.871  -7.837  -3.635
  413   1HB   ALA  60          1HB       ALA  60  -1.839  -9.584  -5.451
  414   2HB   ALA  60          2HB       ALA  60  -3.538  -9.132  -5.023
  415   3HB   ALA  60          3HB       ALA  60  -2.811 -10.668  -4.395
  416    H    CYS  61           H        CYS  61  -4.003  -7.236  -3.128
  417    HA   CYS  61           HA       CYS  61  -4.783  -8.170  -0.479
  418   1HB   CYS  61          1HB       CYS  61  -4.453  -5.632  -1.405
  419   2HB   CYS  61          2HB       CYS  61  -6.184  -5.804  -1.754
  420    H    HIS  62           H        HIS  62  -5.224  -9.990  -2.221
  421    HA   HIS  62           HA       HIS  62  -8.183 -10.185  -2.343
  422   1HB   HIS  62          1HB       HIS  62  -6.000 -11.552  -3.932
  423   2HB   HIS  62          2HB       HIS  62  -7.411 -12.535  -3.505
  424    HD1  HIS  62           HD1      HIS  62  -9.559 -12.155  -4.539
  425    HD2  HIS  62           HD2      HIS  62  -6.861  -9.134  -5.639
  426    HE1  HIS  62           HE1      HIS  62 -10.675 -10.788  -6.329
  427    HE2  HIS  62           HE2      HIS  62  -9.026  -8.960  -6.970
  428    H    ASN  63           H        ASN  63  -9.051 -12.302  -1.398
  429    HA   ASN  63           HA       ASN  63  -7.780 -13.661   0.562
  430   1HB   ASN  63          1HB       ASN  63  -8.896 -12.332   2.562
  431   2HB   ASN  63          2HB       ASN  63  -7.314 -11.795   1.915
  432   1HD2  ASN  63          1HD2      ASN  63  -7.246  -9.400   1.607
  433   2HD2  ASN  63          2HD2      ASN  63  -8.586  -8.572   0.960
  434    H    SER  64           H        SER  64 -10.732 -11.863   0.830
  435    HA   SER  64           HA       SER  64 -12.296 -14.387   0.781
  436   1HB   SER  64          1HB       SER  64 -11.992 -13.129   2.957
  437   2HB   SER  64          2HB       SER  64 -12.853 -11.725   2.236
  438    HG   SER  64           HG       SER  64 -14.656 -13.164   1.958
  439    H    GLU  65           H        GLU  65 -11.839 -13.060  -1.614
  440    HA   GLU  65           HA       GLU  65 -13.820 -11.443  -2.620
  441   1HB   GLU  65          1HB       GLU  65 -12.999 -12.101  -4.852
  442   2HB   GLU  65          2HB       GLU  65 -11.693 -11.691  -3.734
  443   1HG   GLU  65          1HG       GLU  65 -12.557 -14.633  -4.327
  444   2HG   GLU  65          2HG       GLU  65 -11.274 -13.770  -5.242
  445    HE2  GLU  65           HE2      GLU  65 -10.294 -15.496  -1.904
  446    H    ILE  66           H        ILE  66 -15.331 -13.238  -1.257
  447    HA   ILE  66           HA       ILE  66 -17.132 -14.246  -3.297
  448    HB   ILE  66           HB       ILE  66 -17.366 -16.471  -2.232
  449   1HG1  ILE  66          1HG1      ILE  66 -16.086 -15.793  -0.057
  450   2HG1  ILE  66          2HG1      ILE  66 -15.957 -17.434  -0.713
  451   1HG2  ILE  66          1HG2      ILE  66 -14.649 -15.998  -3.581
  452   2HG2  ILE  66          2HG2      ILE  66 -16.242 -16.196  -4.400
  453   3HG2  ILE  66          3HG2      ILE  66 -15.540 -17.555  -3.447
  454   1HD1  ILE  66          1HD1      ILE  66 -13.759 -16.576   0.103
  455   2HD1  ILE  66          2HD1      ILE  66 -13.796 -15.283  -1.146
  456   3HD1  ILE  66          3HD1      ILE  66 -13.712 -17.002  -1.644
  457    H    GLU  67           H        GLU  67 -19.222 -15.160  -2.325
  458    HA   GLU  67           HA       GLU  67 -19.876 -14.372   0.271
  459   1HB   GLU  67          1HB       GLU  67 -21.673 -12.829  -0.381
  460   2HB   GLU  67          2HB       GLU  67 -20.100 -12.120  -0.870
  461   1HG   GLU  67          1HG       GLU  67 -22.039 -13.622  -2.781
  462   2HG   GLU  67          2HG       GLU  67 -22.012 -11.840  -2.554
  463    HE2  GLU  67           HE2      GLU  67 -19.912 -13.076  -5.402
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1  -9.995  -3.751   6.568
    2   2H    GLY   1          2H        GLY   1  -8.503  -3.549   7.362
    3   3H    GLY   1          3H        GLY   1  -9.924  -3.754   8.267
    4   1HA   GLY   1          1HA       GLY   1 -10.187  -5.952   7.249
    5   2HA   GLY   1          2HA       GLY   1  -8.511  -5.713   6.602
    6    H    ASP   2           H        ASP   2  -9.548  -7.757   8.571
    7    HA   ASP   2           HA       ASP   2  -7.673  -7.256  10.774
    8   1HB   ASP   2          1HB       ASP   2 -10.748  -7.486  11.191
    9   2HB   ASP   2          2HB       ASP   2  -9.529  -7.562  12.515
   10    HD2  ASP   2           HD2      ASP   2  -8.754  -4.177  12.329
   11    H    ASP   3           H        ASP   3  -6.777  -9.066   9.748
   12    HA   ASP   3           HA       ASP   3  -7.685 -11.428  11.138
   13   1HB   ASP   3          1HB       ASP   3  -8.896 -11.419   8.838
   14   2HB   ASP   3          2HB       ASP   3  -7.297 -11.687   8.075
   15    HD2  ASP   3           HD2      ASP   3  -7.057 -14.960   9.291
   16    H    VAL   4           H        VAL   4  -5.305 -10.435   8.567
   17    HA   VAL   4           HA       VAL   4  -3.308 -12.024   9.966
   18    HB   VAL   4           HB       VAL   4  -2.978 -10.994   7.156
   19   1HG1  VAL   4          1HG1      VAL   4  -1.067 -12.230   8.377
   20   2HG1  VAL   4          2HG1      VAL   4  -1.688 -13.147   6.968
   21   3HG1  VAL   4          3HG1      VAL   4  -2.186 -13.618   8.627
   22   1HG2  VAL   4          1HG2      VAL   4  -3.981 -13.141   6.295
   23   2HG2  VAL   4          2HG2      VAL   4  -5.221 -12.066   6.992
   24   3HG2  VAL   4          3HG2      VAL   4  -4.624 -13.492   7.933
   25    H    LYS   5           H        LYS   5  -1.302 -11.070  10.492
   26    HA   LYS   5           HA       LYS   5  -1.101  -8.235  10.537
   27   1HB   LYS   5          1HB       LYS   5   1.017  -8.610  11.707
   28   2HB   LYS   5          2HB       LYS   5  -0.305  -9.570  12.419
   29   1HG   LYS   5          1HG       LYS   5   1.492 -10.960  10.368
   30   2HG   LYS   5          2HG       LYS   5   2.143 -10.576  11.990
   31   1HD   LYS   5          1HD       LYS   5   0.221 -11.723  13.086
   32   2HD   LYS   5          2HD       LYS   5  -0.404 -12.234  11.485
   33   1HE   LYS   5          1HE       LYS   5   1.717 -13.507  11.038
   34   2HE   LYS   5          2HE       LYS   5   2.330 -13.013  12.674
   35   1HZ   LYS   5          1HZ       LYS   5  -0.153 -14.554  12.132
   36   2HZ   LYS   5          2HZ       LYS   5   0.435 -14.092  13.654
   37   3HZ   LYS   5          3HZ       LYS   5   1.319 -15.182  12.700
   38    H    SER   6           H        SER   6  -0.582 -10.421   8.184
   39    HA   SER   6           HA       SER   6   1.540  -9.341   6.662
   40   1HB   SER   6          1HB       SER   6  -1.048 -10.685   5.706
   41   2HB   SER   6          2HB       SER   6   0.388 -10.347   4.673
   42    HG   SER   6           HG       SER   6   0.341 -12.480   5.539
   43    H    ALA   7           H        ALA   7   1.429  -7.976   4.741
   44    HA   ALA   7           HA       ALA   7  -0.607  -5.857   4.915
   45   1HB   ALA   7          1HB       ALA   7   1.869  -5.258   4.663
   46   2HB   ALA   7          2HB       ALA   7   0.932  -4.744   3.206
   47   3HB   ALA   7          3HB       ALA   7   1.928  -6.250   3.170
   48    H    CYS   8           H        CYS   8  -1.657  -5.208   2.757
   49    HA   CYS   8           HA       CYS   8  -1.280  -7.254   0.731
   50   1HB   CYS   8          1HB       CYS   8  -3.331  -7.981   0.394
   51   2HB   CYS   8          2HB       CYS   8  -3.513  -7.602   2.115
   52    H    CYS   9           H        CYS   9  -1.246  -6.593  -1.348
   53    HA   CYS   9           HA       CYS   9  -1.472  -3.696  -1.867
   54   1HB   CYS   9          1HB       CYS   9   0.915  -5.613  -1.857
   55   2HB   CYS   9          2HB       CYS   9   0.932  -4.294  -3.049
   56    H    ASP  10           H        ASP  10  -2.582  -3.535  -3.921
   57    HA   ASP  10           HA       ASP  10  -2.877  -5.877  -5.473
   58   1HB   ASP  10          1HB       ASP  10  -3.314  -3.002  -6.424
   59   2HB   ASP  10          2HB       ASP  10  -4.026  -4.441  -7.109
   60    HD2  ASP  10           HD2      ASP  10  -5.650  -2.804  -6.744
   61    H    THR  11           H        THR  11  -0.661  -3.199  -5.650
   62    HA   THR  11           HA       THR  11   1.044  -4.372  -7.689
   63    HB   THR  11           HB       THR  11  -0.476  -1.738  -8.150
   64    HG1  THR  11           HG1      THR  11  -1.224  -2.698  -9.837
   65   1HG2  THR  11          1HG2      THR  11   1.071  -1.644 -10.259
   66   2HG2  THR  11          2HG2      THR  11   2.150  -2.791  -9.381
   67   3HG2  THR  11          3HG2      THR  11   1.807  -1.149  -8.707
   68    H    CYS  12           H        CYS  12   2.744  -4.326  -6.640
   69    HA   CYS  12           HA       CYS  12   3.756  -2.170  -5.012
   70   1HB   CYS  12          1HB       CYS  12   4.150  -4.571  -4.485
   71   2HB   CYS  12          2HB       CYS  12   5.026  -4.751  -6.069
   72    H    LEU  13           H        LEU  13   5.447  -0.726  -5.490
   73    HA   LEU  13           HA       LEU  13   6.745  -0.878  -8.089
   74   1HB   LEU  13          1HB       LEU  13   4.466   0.268  -8.172
   75   2HB   LEU  13          2HB       LEU  13   5.147   1.563  -7.149
   76    HG   LEU  13           HG       LEU  13   6.455   0.699  -9.803
   77   1HD1  LEU  13          1HD1      LEU  13   4.100   2.677  -9.555
   78   2HD1  LEU  13          2HD1      LEU  13   4.004   1.013 -10.230
   79   3HD1  LEU  13          3HD1      LEU  13   4.980   2.274 -11.056
   80   1HD2  LEU  13          1HD2      LEU  13   7.098   3.138  -9.946
   81   2HD2  LEU  13          2HD2      LEU  13   7.724   2.379  -8.435
   82   3HD2  LEU  13          3HD2      LEU  13   6.264   3.439  -8.376
   83    H    CYS  14           H        CYS  14   8.787  -0.496  -7.775
   84    HA   CYS  14           HA       CYS  14   9.696   0.860  -5.379
   85   1HB   CYS  14          1HB       CYS  14  11.292  -0.737  -7.415
   86   2HB   CYS  14          2HB       CYS  14  11.948  -0.006  -5.948
   87    H    THR  15           H        THR  15  10.925   2.659  -5.220
   88    HA   THR  15           HA       THR  15  10.895   4.440  -7.463
   89    HB   THR  15           HB       THR  15  12.224   5.984  -6.088
   90    HG1  THR  15           HG1      THR  15  13.246   5.237  -4.426
   91   1HG2  THR  15          1HG2      THR  15  10.437   6.352  -4.390
   92   2HG2  THR  15          2HG2      THR  15   9.822   4.680  -4.619
   93   3HG2  THR  15          3HG2      THR  15   9.711   5.867  -5.967
   94    H    ARG  16           H        ARG  16  12.568   5.364  -8.641
   95    HA   ARG  16           HA       ARG  16  15.216   4.178  -8.484
   96   1HB   ARG  16          1HB       ARG  16  13.983   6.179 -10.379
   97   2HB   ARG  16          2HB       ARG  16  15.755   6.032 -10.193
   98   1HG   ARG  16          1HG       ARG  16  15.783   4.459 -11.700
   99   2HG   ARG  16          2HG       ARG  16  15.025   3.346 -10.526
  100   1HD   ARG  16          1HD       ARG  16  13.519   5.131 -12.569
  101   2HD   ARG  16          2HD       ARG  16  13.868   3.362 -12.775
  102    HE   ARG  16           HE       ARG  16  12.586   3.447 -10.334
  103   1HH1  ARG  16          1HH1      ARG  16  11.785   4.703 -13.578
  104   2HH1  ARG  16          2HH1      ARG  16  10.071   4.544 -13.365
  105   1HH2  ARG  16          1HH2      ARG  16  10.289   3.234 -10.069
  106   2HH2  ARG  16          2HH2      ARG  16   9.211   3.693 -11.352
  107    H    SER  17           H        SER  17  16.441   4.890  -6.813
  108    HA   SER  17           HA       SER  17  16.959   7.569  -6.248
  109   1HB   SER  17          1HB       SER  17  15.840   7.847  -4.045
  110   2HB   SER  17          2HB       SER  17  14.620   7.563  -5.284
  111    HG   SER  17           HG       SER  17  15.527   5.777  -3.271
  112    H    GLN  18           H        GLN  18  17.865   7.181  -3.540
  113    HA   GLN  18           HA       GLN  18  19.475   4.759  -3.673
  114   1HB   GLN  18          1HB       GLN  18  20.533   6.437  -5.129
  115   2HB   GLN  18          2HB       GLN  18  20.502   7.637  -3.811
  116   1HG   GLN  18          1HG       GLN  18  22.093   6.184  -2.455
  117   2HG   GLN  18          2HG       GLN  18  22.045   4.926  -3.748
  118   1HE2  GLN  18          1HE2      GLN  18  22.822   5.548  -5.893
  119   2HE2  GLN  18          2HE2      GLN  18  24.085   6.780  -6.032
  120    HA   PRO  19           HA       PRO  19  19.289   3.246  -2.244
  121   1HB   PRO  19          1HB       PRO  19  17.830   2.056  -0.207
  122   2HB   PRO  19          2HB       PRO  19  19.591   2.506   0.002
  123   1HG   PRO  19          1HG       PRO  19  17.121   4.139   0.841
  124   2HG   PRO  19          2HG       PRO  19  18.545   3.667   1.858
  125   1HD   PRO  19          1HD       PRO  19  18.352   6.122   0.554
  126   2HD   PRO  19          2HD       PRO  19  19.955   5.279   0.763
  127    HA   PRO  20           HA       PRO  20  15.054   3.544  -3.802
  128   1HB   PRO  20          1HB       PRO  20  14.393   0.949  -4.418
  129   2HB   PRO  20          2HB       PRO  20  15.671   1.839  -5.327
  130   1HG   PRO  20          1HG       PRO  20  16.082  -0.067  -2.951
  131   2HG   PRO  20          2HG       PRO  20  16.851  -0.142  -4.589
  132   1HD   PRO  20          1HD       PRO  20  18.099   1.093  -2.449
  133   2HD   PRO  20          2HD       PRO  20  18.211   1.812  -4.132
  134    H    THR  21           H        THR  21  12.859   2.788  -3.305
  135    HA   THR  21           HA       THR  21  12.342   2.053  -0.509
  136    HB   THR  21           HB       THR  21  11.873   4.792  -1.885
  137    HG1  THR  21           HG1      THR  21  13.910   4.617  -0.894
  138   1HG2  THR  21          1HG2      THR  21   9.873   4.161  -0.463
  139   2HG2  THR  21          2HG2      THR  21  10.806   5.506   0.254
  140   3HG2  THR  21          3HG2      THR  21  10.986   3.863   0.939
  141    H    CYS  22           H        CYS  22  10.230   1.139  -0.493
  142    HA   CYS  22           HA       CYS  22   8.952   1.113  -3.151
  143   1HB   CYS  22          1HB       CYS  22  11.016  -0.426  -3.087
  144   2HB   CYS  22          2HB       CYS  22  10.156  -1.421  -1.872
  145    H    ARG  23           H        ARG  23   6.950   0.310  -3.278
  146    HA   ARG  23           HA       ARG  23   5.525  -0.644  -1.006
  147   1HB   ARG  23          1HB       ARG  23   4.344   1.429  -0.335
  148   2HB   ARG  23          2HB       ARG  23   6.097   1.707  -0.172
  149   1HG   ARG  23          1HG       ARG  23   6.119   2.888  -2.393
  150   2HG   ARG  23          2HG       ARG  23   4.334   2.677  -2.492
  151   1HD   ARG  23          1HD       ARG  23   4.089   3.892  -0.312
  152   2HD   ARG  23          2HD       ARG  23   5.878   4.243  -0.320
  153    HE   ARG  23           HE       ARG  23   5.261   5.146  -2.772
  154   1HH1  ARG  23          1HH1      ARG  23   3.416   5.716   0.250
  155   2HH1  ARG  23          2HH1      ARG  23   2.630   7.123  -0.357
  156   1HH2  ARG  23          1HH2      ARG  23   4.210   6.949  -3.561
  157   2HH2  ARG  23          2HH2      ARG  23   3.106   7.871  -2.597
  158    H    CYS  24           H        CYS  24   3.062  -0.308  -1.429
  159    HA   CYS  24           HA       CYS  24   2.692  -0.561  -4.307
  160   1HB   CYS  24          1HB       CYS  24   0.528  -1.576  -3.822
  161   2HB   CYS  24          2HB       CYS  24   1.976  -2.419  -3.201
  162    H    VAL  25           H        VAL  25   1.661   0.664  -5.572
  163    HA   VAL  25           HA       VAL  25   1.287   3.346  -4.845
  164    HB   VAL  25           HB       VAL  25   0.499   3.657  -7.200
  165   1HG1  VAL  25          1HG1      VAL  25   3.116   2.098  -6.674
  166   2HG1  VAL  25          2HG1      VAL  25   2.864   3.862  -6.382
  167   3HG1  VAL  25          3HG1      VAL  25   2.780   3.216  -8.054
  168   1HG2  VAL  25          1HG2      VAL  25   0.737   1.759  -8.767
  169   2HG2  VAL  25          2HG2      VAL  25  -0.518   1.344  -7.557
  170   3HG2  VAL  25          3HG2      VAL  25   1.134   0.613  -7.470
  171    H    ASP  26           H        ASP  26  -0.779   0.837  -4.481
  172    HA   ASP  26           HA       ASP  26  -3.172   2.015  -5.369
  173   1HB   ASP  26          1HB       ASP  26  -2.830  -0.477  -3.609
  174   2HB   ASP  26          2HB       ASP  26  -4.333   0.018  -4.491
  175    HD2  ASP  26           HD2      ASP  26  -1.198  -1.357  -6.531
  176    H    VAL  27           H        VAL  27  -4.620   3.266  -4.524
  177    HA   VAL  27           HA       VAL  27  -4.533   3.902  -1.699
  178    HB   VAL  27           HB       VAL  27  -4.558   5.500  -3.608
  179   1HG1  VAL  27          1HG1      VAL  27  -7.574   4.868  -3.625
  180   2HG1  VAL  27          2HG1      VAL  27  -6.440   4.384  -4.952
  181   3HG1  VAL  27          3HG1      VAL  27  -6.728   6.134  -4.582
  182   1HG2  VAL  27          1HG2      VAL  27  -5.074   5.999  -1.161
  183   2HG2  VAL  27          2HG2      VAL  27  -6.827   5.767  -1.550
  184   3HG2  VAL  27          3HG2      VAL  27  -5.895   7.106  -2.331
  185    H    ARG  28           H        ARG  28  -5.773   3.131  -0.160
  186    HA   ARG  28           HA       ARG  28  -7.999   1.339  -0.985
  187   1HB   ARG  28          1HB       ARG  28  -6.007   1.008   1.309
  188   2HB   ARG  28          2HB       ARG  28  -7.292  -0.172   0.873
  189   1HG   ARG  28          1HG       ARG  28  -4.812   0.641  -0.752
  190   2HG   ARG  28          2HG       ARG  28  -5.009  -0.897   0.146
  191   1HD   ARG  28          1HD       ARG  28  -7.016  -0.259  -2.109
  192   2HD   ARG  28          2HD       ARG  28  -5.313  -0.543  -2.523
  193    HE   ARG  28           HE       ARG  28  -5.395  -2.780  -1.810
  194   1HH1  ARG  28          1HH1      ARG  28  -8.623  -1.287  -1.273
  195   2HH1  ARG  28          2HH1      ARG  28  -9.433  -2.815  -1.320
  196   1HH2  ARG  28          1HH2      ARG  28  -6.533  -4.748  -1.888
  197   2HH2  ARG  28          2HH2      ARG  28  -8.251  -4.786  -1.657
  198    H    GLU  29           H        GLU  29  -9.311   0.665   0.979
  199    HA   GLU  29           HA       GLU  29 -10.797   2.687   2.110
  200   1HB   GLU  29          1HB       GLU  29 -10.163  -0.210   2.892
  201   2HB   GLU  29          2HB       GLU  29 -11.427   0.751   3.734
  202   1HG   GLU  29          1HG       GLU  29 -12.691   0.992   1.547
  203   2HG   GLU  29          2HG       GLU  29 -11.510  -0.136   0.766
  204    HE2  GLU  29           HE2      GLU  29 -14.237  -2.108   2.061
  205    H    SER  30           H        SER  30  -7.851   1.240   3.171
  206    HA   SER  30           HA       SER  30  -7.719   2.739   5.658
  207   1HB   SER  30          1HB       SER  30  -7.667  -0.386   5.575
  208   2HB   SER  30          2HB       SER  30  -7.346   0.598   7.043
  209    HG   SER  30           HG       SER  30  -9.389  -0.192   7.096
  210    H    CYS  31           H        CYS  31  -5.610   2.043   6.840
  211    HA   CYS  31           HA       CYS  31  -3.564   1.120   4.901
  212   1HB   CYS  31          1HB       CYS  31  -3.408   2.605   7.587
  213   2HB   CYS  31          2HB       CYS  31  -1.946   2.067   6.677
  214    H    HIS  32           H        HIS  32  -1.803  -0.159   6.112
  215    HA   HIS  32           HA       HIS  32  -2.925  -1.894   8.217
  216   1HB   HIS  32          1HB       HIS  32  -2.677  -3.212   6.161
  217   2HB   HIS  32          2HB       HIS  32  -0.931  -2.675   6.021
  218    HD1  HIS  32           HD1      HIS  32  -3.343  -4.484   8.284
  219    HD2  HIS  32           HD2      HIS  32   0.746  -4.592   7.388
  220    HE1  HIS  32           HE1      HIS  32  -2.347  -6.285   9.683
  221    HE2  HIS  32           HE2      HIS  32   0.144  -6.352   9.109
  222    H    SER  33           H        SER  33  -1.118  -2.759   9.558
  223    HA   SER  33           HA       SER  33   0.426  -0.998  10.791
  224   1HB   SER  33          1HB       SER  33   1.152  -3.985  10.453
  225   2HB   SER  33          2HB       SER  33   1.399  -2.983  11.922
  226    HG   SER  33           HG       SER  33  -0.450  -3.902  12.393
  227    H    ALA  34           H        ALA  34   1.110  -1.970   7.698
  228    HA   ALA  34           HA       ALA  34   3.944  -1.928   7.600
  229   1HB   ALA  34          1HB       ALA  34   1.720  -1.614   5.465
  230   2HB   ALA  34          2HB       ALA  34   2.542  -3.163   5.928
  231   3HB   ALA  34          3HB       ALA  34   3.458  -1.865   5.092
  232    H    CYS  35           H        CYS  35   1.604   0.508   7.992
  233    HA   CYS  35           HA       CYS  35   3.118   2.558   6.530
  234   1HB   CYS  35          1HB       CYS  35   0.196   2.402   7.464
  235   2HB   CYS  35          2HB       CYS  35   0.893   3.719   6.438
  236    H    ASP  36           H        ASP  36   4.215   4.051   7.759
  237    HA   ASP  36           HA       ASP  36   3.337   4.438  10.552
  238   1HB   ASP  36          1HB       ASP  36   5.858   5.267   8.978
  239   2HB   ASP  36          2HB       ASP  36   5.507   5.858  10.632
  240    HD2  ASP  36           HD2      ASP  36   6.056   2.907  12.207
  241    H    LYS  37           H        LYS  37   3.295   6.256   7.500
  242    HA   LYS  37           HA       LYS  37   1.529   8.101   8.940
  243   1HB   LYS  37          1HB       LYS  37   3.525   9.378   8.100
  244   2HB   LYS  37          2HB       LYS  37   3.205   8.771   6.476
  245   1HG   LYS  37          1HG       LYS  37   2.338  10.987   6.568
  246   2HG   LYS  37          2HG       LYS  37   0.922   9.899   6.502
  247   1HD   LYS  37          1HD       LYS  37   0.597  10.168   8.983
  248   2HD   LYS  37          2HD       LYS  37   2.081  11.193   9.059
  249   1HE   LYS  37          1HE       LYS  37   0.990  12.892   7.558
  250   2HE   LYS  37          2HE       LYS  37  -0.505  11.870   7.491
  251   1HZ   LYS  37          1HZ       LYS  37   0.721  12.975   9.963
  252   2HZ   LYS  37          2HZ       LYS  37  -0.733  12.109   9.848
  253   3HZ   LYS  37          3HZ       LYS  37  -0.600  13.645   9.133
  254    H    CYS  38           H        CYS  38  -0.267   6.884   8.706
  255    HA   CYS  38           HA       CYS  38  -1.234   6.339   6.012
  256   1HB   CYS  38          1HB       CYS  38  -1.610   4.818   8.017
  257   2HB   CYS  38          2HB       CYS  38  -2.473   6.169   8.826
  258    H    VAL  39           H        VAL  39  -1.834   8.180   4.854
  259    HA   VAL  39           HA       VAL  39  -3.185  10.306   6.367
  260    HB   VAL  39           HB       VAL  39  -1.069  10.373   4.703
  261   1HG1  VAL  39          1HG1      VAL  39  -1.769  11.106   2.488
  262   2HG1  VAL  39          2HG1      VAL  39  -3.473  10.706   2.821
  263   3HG1  VAL  39          3HG1      VAL  39  -2.249   9.361   2.789
  264   1HG2  VAL  39          1HG2      VAL  39  -3.381  12.391   4.596
  265   2HG2  VAL  39          2HG2      VAL  39  -1.640  12.675   4.197
  266   3HG2  VAL  39          3HG2      VAL  39  -2.111  12.309   5.912
  267    H    CYS  40           H        CYS  40  -5.485  10.808   5.669
  268    HA   CYS  40           HA       CYS  40  -6.537   8.969   3.642
  269   1HB   CYS  40          1HB       CYS  40  -7.566   9.278   6.477
  270   2HB   CYS  40          2HB       CYS  40  -8.455   8.454   5.191
  271    H    ALA  41           H        ALA  41  -7.565  10.067   2.240
  272    HA   ALA  41           HA       ALA  41  -8.950  12.528   2.778
  273   1HB   ALA  41          1HB       ALA  41  -7.872  12.143   0.579
  274   2HB   ALA  41          2HB       ALA  41  -9.625  12.545   0.470
  275   3HB   ALA  41          3HB       ALA  41  -9.074  10.850   0.239
  276    H    TYR  42           H        TYR  42 -11.057  12.974   2.793
  277    HA   TYR  42           HA       TYR  42 -12.682  11.036   4.035
  278   1HB   TYR  42          1HB       TYR  42 -14.122  13.147   4.451
  279   2HB   TYR  42          2HB       TYR  42 -12.429  13.122   5.058
  280    HD1  TYR  42           HD1      TYR  42 -10.786  14.724   4.273
  281    HD2  TYR  42           HD2      TYR  42 -14.564  14.403   2.200
  282    HE1  TYR  42           HE1      TYR  42 -10.259  16.726   2.963
  283    HE2  TYR  42           HE2      TYR  42 -14.017  16.432   0.923
  284    HH   TYR  42           HH       TYR  42 -12.239  17.802   0.271
  285    H    SER  43           H        SER  43 -12.302  10.781   1.223
  286    HA   SER  43           HA       SER  43 -14.561  11.199  -0.366
  287   1HB   SER  43          1HB       SER  43 -12.513   8.942  -0.578
  288   2HB   SER  43          2HB       SER  43 -13.573   9.556  -1.919
  289    HG   SER  43           HG       SER  43 -11.449  10.386  -1.968
  290    H    ASN  44           H        ASN  44 -15.408   9.035  -1.573
  291    HA   ASN  44           HA       ASN  44 -16.432   7.054   0.300
  292   1HB   ASN  44          1HB       ASN  44 -18.057   8.902   0.204
  293   2HB   ASN  44          2HB       ASN  44 -17.971   8.953  -1.560
  294   1HD2  ASN  44          1HD2      ASN  44 -18.986   7.020  -2.752
  295   2HD2  ASN  44          2HD2      ASN  44 -20.302   6.225  -1.994
  296    HA   PRO  45           HA       PRO  45 -15.926   5.053   0.308
  297   1HB   PRO  45          1HB       PRO  45 -14.023   3.109  -0.203
  298   2HB   PRO  45          2HB       PRO  45 -15.690   2.937  -0.778
  299   1HG   PRO  45          1HG       PRO  45 -13.319   4.052  -2.383
  300   2HG   PRO  45          2HG       PRO  45 -14.439   2.728  -2.872
  301   1HD   PRO  45          1HD       PRO  45 -14.830   5.363  -3.655
  302   2HD   PRO  45          2HD       PRO  45 -16.250   4.292  -3.246
  303    HA   PRO  46           HA       PRO  46 -12.693   7.645   1.570
  304   1HB   PRO  46          1HB       PRO  46 -11.555   6.553   3.824
  305   2HB   PRO  46          2HB       PRO  46 -13.279   7.101   3.800
  306   1HG   PRO  46          1HG       PRO  46 -12.245   4.247   3.313
  307   2HG   PRO  46          2HG       PRO  46 -13.503   4.818   4.501
  308   1HD   PRO  46          1HD       PRO  46 -14.158   3.811   2.001
  309   2HD   PRO  46          2HD       PRO  46 -15.078   5.282   2.732
  310    H    GLN  47           H        GLN  47 -10.333   8.043   1.571
  311    HA   GLN  47           HA       GLN  47  -8.938   5.889   0.099
  312   1HB   GLN  47          1HB       GLN  47  -8.563   8.920  -0.077
  313   2HB   GLN  47          2HB       GLN  47  -7.693   7.693  -1.032
  314   1HG   GLN  47          1HG       GLN  47 -10.715   8.247  -1.236
  315   2HG   GLN  47          2HG       GLN  47  -9.456   8.969  -2.307
  316   1HE2  GLN  47          1HE2      GLN  47 -10.858   5.818  -1.253
  317   2HE2  GLN  47          2HE2      GLN  47 -10.593   5.026  -2.783
  318    H    CYS  48           H        CYS  48  -6.922   5.418   0.850
  319    HA   CYS  48           HA       CYS  48  -5.684   7.171   2.798
  320   1HB   CYS  48          1HB       CYS  48  -6.456   4.217   3.202
  321   2HB   CYS  48          2HB       CYS  48  -5.253   5.082   4.239
  322    H    GLN  49           H        GLN  49  -3.591   7.162   2.606
  323    HA   GLN  49           HA       GLN  49  -2.321   5.163   0.873
  324   1HB   GLN  49          1HB       GLN  49  -2.193   8.187   0.916
  325   2HB   GLN  49          2HB       GLN  49  -0.736   7.265   0.366
  326   1HG   GLN  49          1HG       GLN  49  -2.258   6.064  -1.345
  327   2HG   GLN  49          2HG       GLN  49  -3.540   7.261  -0.905
  328   1HE2  GLN  49          1HE2      GLN  49  -2.799   9.594  -0.966
  329   2HE2  GLN  49          2HE2      GLN  49  -1.624  10.096  -2.170
  330    H    CYS  50           H        CYS  50  -0.345   4.611   1.232
  331    HA   CYS  50           HA       CYS  50   0.527   4.745   4.029
  332   1HB   CYS  50          1HB       CYS  50   0.118   2.566   2.524
  333   2HB   CYS  50          2HB       CYS  50   1.614   3.019   1.678
  334    H    TYR  51           H        TYR  51   1.159   6.962   3.700
  335    HA   TYR  51           HA       TYR  51   2.928   7.933   1.785
  336   1HB   TYR  51          1HB       TYR  51   1.740   8.954   4.340
  337   2HB   TYR  51          2HB       TYR  51   3.382   9.578   4.095
  338    HD1  TYR  51           HD1      TYR  51   0.233   8.938   2.110
  339    HD2  TYR  51           HD2      TYR  51   3.529  11.644   2.827
  340    HE1  TYR  51           HE1      TYR  51  -0.592  10.454   0.377
  341    HE2  TYR  51           HE2      TYR  51   2.604  13.192   1.273
  342    HH   TYR  51           HH       TYR  51  -0.456  12.530  -0.527
  343    H    ASP  52           H        ASP  52   3.612   6.952   5.029
  344    HA   ASP  52           HA       ASP  52   6.526   7.026   4.424
  345   1HB   ASP  52          1HB       ASP  52   5.828   8.634   6.191
  346   2HB   ASP  52          2HB       ASP  52   5.139   7.292   7.158
  347    HD2  ASP  52           HD2      ASP  52   9.147   7.273   6.704
  348    H    THR  53           H        THR  53   6.781   5.095   3.515
  349    HA   THR  53           HA       THR  53   7.282   3.041   5.404
  350    HB   THR  53           HB       THR  53   4.928   2.489   4.663
  351    HG1  THR  53           HG1      THR  53   5.623   0.650   5.191
  352   1HG2  THR  53          1HG2      THR  53   4.624   1.524   2.397
  353   2HG2  THR  53          2HG2      THR  53   6.338   1.861   1.969
  354   3HG2  THR  53          3HG2      THR  53   5.192   3.228   2.256
  355    H    HIS  54           H        HIS  54   8.732   1.415   4.382
  356    HA   HIS  54           HA       HIS  54   9.954   2.225   1.858
  357   1HB   HIS  54          1HB       HIS  54  10.985   3.389   3.935
  358   2HB   HIS  54          2HB       HIS  54  11.442   1.784   4.556
  359    HD1  HIS  54           HD1      HIS  54  12.955   4.520   3.686
  360    HD2  HIS  54           HD2      HIS  54  13.283   0.773   1.857
  361    HE1  HIS  54           HE1      HIS  54  15.163   4.479   2.527
  362    HE2  HIS  54           HE2      HIS  54  15.355   2.188   1.415
  363    H    LYS  55           H        LYS  55   8.558  -0.140   3.586
  364    HA   LYS  55           HA       LYS  55  10.478  -2.239   2.924
  365   1HB   LYS  55          1HB       LYS  55  10.137  -2.991   5.307
  366   2HB   LYS  55          2HB       LYS  55  10.834  -1.355   5.191
  367   1HG   LYS  55          1HG       LYS  55   7.879  -1.204   5.341
  368   2HG   LYS  55          2HG       LYS  55   8.539  -2.231   6.643
  369   1HD   LYS  55          1HD       LYS  55  10.077  -0.460   7.378
  370   2HD   LYS  55          2HD       LYS  55   9.577   0.612   6.028
  371   1HE   LYS  55          1HE       LYS  55   7.253   0.744   6.959
  372   2HE   LYS  55          2HE       LYS  55   7.714  -0.399   8.286
  373   1HZ   LYS  55          1HZ       LYS  55   7.794   1.914   8.975
  374   2HZ   LYS  55          2HZ       LYS  55   8.949   2.269   7.785
  375   3HZ   LYS  55          3HZ       LYS  55   9.333   1.201   9.044
  376    H    PHE  56           H        PHE  56   7.756  -1.848   1.560
  377    HA   PHE  56           HA       PHE  56   6.982  -4.618   2.088
  378   1HB   PHE  56          1HB       PHE  56   5.144  -2.309   2.794
  379   2HB   PHE  56          2HB       PHE  56   4.405  -3.641   1.845
  380    HD1  PHE  56           HD1      PHE  56   4.519  -5.990   2.615
  381    HD2  PHE  56           HD2      PHE  56   5.773  -2.746   5.144
  382    HE1  PHE  56           HE1      PHE  56   4.281  -7.438   4.588
  383    HE2  PHE  56           HE2      PHE  56   5.510  -4.175   7.112
  384    HZ   PHE  56           HZ       PHE  56   4.757  -6.536   6.860
  385    H    CYS  57           H        CYS  57   6.677  -5.753   0.418
  386    HA   CYS  57           HA       CYS  57   5.397  -4.577  -1.948
  387   1HB   CYS  57          1HB       CYS  57   7.989  -4.539  -2.007
  388   2HB   CYS  57          2HB       CYS  57   7.951  -6.320  -1.962
  389    H    TYR  58           H        TYR  58   3.528  -5.713  -1.410
  390    HA   TYR  58           HA       TYR  58   3.823  -8.614  -0.936
  391   1HB   TYR  58          1HB       TYR  58   2.611  -6.569   0.607
  392   2HB   TYR  58          2HB       TYR  58   1.215  -7.363  -0.194
  393    HD1  TYR  58           HD1      TYR  58   4.381  -8.030   1.684
  394    HD2  TYR  58           HD2      TYR  58   0.447  -9.498   0.711
  395    HE1  TYR  58           HE1      TYR  58   4.663  -9.847   3.276
  396    HE2  TYR  58           HE2      TYR  58   0.737 -11.316   2.277
  397    HH   TYR  58           HH       TYR  58   3.828 -12.005   3.845
  398    H    LYS  59           H        LYS  59   2.177  -9.978  -1.435
  399    HA   LYS  59           HA       LYS  59   0.713  -9.953  -3.822
  400   1HB   LYS  59          1HB       LYS  59   0.602 -11.585  -1.263
  401   2HB   LYS  59          2HB       LYS  59  -0.756 -11.663  -2.402
  402   1HG   LYS  59          1HG       LYS  59   0.522 -13.480  -2.905
  403   2HG   LYS  59          2HG       LYS  59   0.784 -12.349  -4.267
  404   1HD   LYS  59          1HD       LYS  59   2.792 -12.605  -1.926
  405   2HD   LYS  59          2HD       LYS  59   2.737 -13.817  -3.232
  406   1HE   LYS  59          1HE       LYS  59   3.337 -10.829  -3.734
  407   2HE   LYS  59          2HE       LYS  59   4.530 -12.175  -3.639
  408   1HZ   LYS  59          1HZ       LYS  59   3.988 -11.685  -5.875
  409   2HZ   LYS  59          2HZ       LYS  59   2.327 -11.902  -5.610
  410   3HZ   LYS  59          3HZ       LYS  59   3.380 -13.223  -5.491
  411    H    ALA  60           H        ALA  60  -1.682 -10.034  -4.029
  412    HA   ALA  60           HA       ALA  60  -2.904  -7.757  -2.739
  413   1HB   ALA  60          1HB       ALA  60  -3.891  -9.800  -4.786
  414   2HB   ALA  60          2HB       ALA  60  -3.172  -8.200  -5.162
  415   3HB   ALA  60          3HB       ALA  60  -4.768  -8.290  -4.323
  416    H    CYS  61           H        CYS  61  -5.062  -7.908  -1.892
  417    HA   CYS  61           HA       CYS  61  -5.268  -9.715   0.309
  418   1HB   CYS  61          1HB       CYS  61  -7.161  -7.641  -0.925
  419   2HB   CYS  61          2HB       CYS  61  -7.786  -8.785   0.286
  420    H    HIS  62           H        HIS  62  -7.555  -9.311  -2.341
  421    HA   HIS  62           HA       HIS  62  -8.297 -12.069  -2.371
  422   1HB   HIS  62          1HB       HIS  62  -9.640 -11.553  -4.322
  423   2HB   HIS  62          2HB       HIS  62  -9.867 -10.349  -3.026
  424    HD1  HIS  62           HD1      HIS  62 -10.409 -10.189  -6.109
  425    HD2  HIS  62           HD2      HIS  62  -7.517  -8.057  -3.948
  426    HE1  HIS  62           HE1      HIS  62 -10.056  -8.005  -7.280
  427    HE2  HIS  62           HE2      HIS  62  -8.338  -6.722  -5.910
  428    H    ASN  63           H        ASN  63  -7.859 -13.681  -4.097
  429    HA   ASN  63           HA       ASN  63  -6.108 -13.333  -6.150
  430   1HB   ASN  63          1HB       ASN  63  -4.217 -14.844  -5.162
  431   2HB   ASN  63          2HB       ASN  63  -4.188 -13.095  -4.848
  432   1HD2  ASN  63          1HD2      ASN  63  -4.165 -12.405  -2.542
  433   2HD2  ASN  63          2HD2      ASN  63  -4.259 -13.551  -1.295
  434    H    SER  64           H        SER  64  -6.207 -15.981  -3.843
  435    HA   SER  64           HA       SER  64  -6.999 -17.724  -6.072
  436   1HB   SER  64          1HB       SER  64  -4.988 -18.041  -4.442
  437   2HB   SER  64          2HB       SER  64  -6.176 -18.689  -3.276
  438    HG   SER  64           HG       SER  64  -5.118 -20.236  -4.704
  439    H    GLU  65           H        GLU  65  -9.178 -16.366  -5.473
  440    HA   GLU  65           HA       GLU  65 -11.087 -17.715  -3.905
  441   1HB   GLU  65          1HB       GLU  65 -11.565 -15.952  -6.343
  442   2HB   GLU  65          2HB       GLU  65 -12.821 -16.638  -5.268
  443   1HG   GLU  65          1HG       GLU  65 -12.481 -14.333  -4.579
  444   2HG   GLU  65          2HG       GLU  65 -11.894 -15.432  -3.283
  445    HE2  GLU  65           HE2      GLU  65 -10.773 -13.876  -6.173
  446    H    ILE  66           H        ILE  66 -10.168 -19.826  -4.480
  447    HA   ILE  66           HA       ILE  66 -12.039 -21.296  -6.113
  448    HB   ILE  66           HB       ILE  66 -10.211 -22.676  -7.155
  449   1HG1  ILE  66          1HG1      ILE  66  -8.341 -20.302  -6.547
  450   2HG1  ILE  66          2HG1      ILE  66  -8.338 -21.836  -5.608
  451   1HG2  ILE  66          1HG2      ILE  66 -10.166 -19.767  -8.145
  452   2HG2  ILE  66          2HG2      ILE  66 -11.538 -20.913  -8.415
  453   3HG2  ILE  66          3HG2      ILE  66  -9.914 -21.267  -9.104
  454   1HD1  ILE  66          1HD1      ILE  66  -7.745 -21.552  -8.624
  455   2HD1  ILE  66          2HD1      ILE  66  -7.876 -23.115  -7.734
  456   3HD1  ILE  66          3HD1      ILE  66  -6.575 -21.942  -7.312
  457    H    GLU  67           H        GLU  67 -11.562 -23.799  -5.716
  458    HA   GLU  67           HA       GLU  67 -10.058 -24.434  -3.464
  459   1HB   GLU  67          1HB       GLU  67 -11.906 -25.365  -2.140
  460   2HB   GLU  67          2HB       GLU  67 -12.111 -23.587  -2.248
  461   1HG   GLU  67          1HG       GLU  67 -13.621 -25.636  -4.041
  462   2HG   GLU  67          2HG       GLU  67 -14.259 -24.986  -2.490
  463    HE2  GLU  67           HE2      GLU  67 -14.833 -21.799  -3.799
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  -2.753 -12.705   1.084
    2   2H    GLY   1          2H        GLY   1  -2.491 -14.266   0.462
    3   3H    GLY   1          3H        GLY   1  -1.992 -13.885   2.041
    4   1HA   GLY   1          1HA       GLY   1  -4.276 -13.505   2.671
    5   2HA   GLY   1          2HA       GLY   1  -4.740 -14.077   1.017
    6    H    ASP   2           H        ASP   2  -4.020 -14.991   4.241
    7    HA   ASP   2           HA       ASP   2  -4.130 -17.850   3.673
    8   1HB   ASP   2          1HB       ASP   2  -1.590 -16.413   4.761
    9   2HB   ASP   2          2HB       ASP   2  -1.862 -18.184   4.901
   10    HD2  ASP   2           HD2      ASP   2  -0.411 -16.748   1.560
   11    H    ASP   3           H        ASP   3  -5.813 -16.076   5.075
   12    HA   ASP   3           HA       ASP   3  -6.995 -15.929   6.868
   13   1HB   ASP   3          1HB       ASP   3  -5.634 -18.410   7.971
   14   2HB   ASP   3          2HB       ASP   3  -7.256 -17.753   8.434
   15    HD2  ASP   3           HD2      ASP   3  -6.892 -20.144   5.371
   16    H    VAL   4           H        VAL   4  -5.089 -14.199   6.860
   17    HA   VAL   4           HA       VAL   4  -4.776 -13.572   9.625
   18    HB   VAL   4           HB       VAL   4  -2.818 -14.945   9.178
   19   1HG1  VAL   4          1HG1      VAL   4  -2.036 -12.811   7.070
   20   2HG1  VAL   4          2HG1      VAL   4  -2.493 -14.523   6.740
   21   3HG1  VAL   4          3HG1      VAL   4  -0.997 -14.151   7.657
   22   1HG2  VAL   4          1HG2      VAL   4  -2.752 -13.015  10.833
   23   2HG2  VAL   4          2HG2      VAL   4  -2.034 -11.970   9.545
   24   3HG2  VAL   4          3HG2      VAL   4  -1.151 -13.420  10.125
   25    H    LYS   5           H        LYS   5  -4.673 -11.347   9.945
   26    HA   LYS   5           HA       LYS   5  -5.377  -9.683   7.699
   27   1HB   LYS   5          1HB       LYS   5  -5.017  -9.110  10.694
   28   2HB   LYS   5          2HB       LYS   5  -5.605  -7.913   9.493
   29   1HG   LYS   5          1HG       LYS   5  -7.582  -9.307   8.996
   30   2HG   LYS   5          2HG       LYS   5  -7.020 -10.572  10.129
   31   1HD   LYS   5          1HD       LYS   5  -7.158  -8.932  12.042
   32   2HD   LYS   5          2HD       LYS   5  -7.693  -7.653  10.899
   33   1HE   LYS   5          1HE       LYS   5  -9.622  -8.639  12.160
   34   2HE   LYS   5          2HE       LYS   5  -9.776  -8.935  10.378
   35   1HZ   LYS   5          1HZ       LYS   5  -8.957 -11.132  10.692
   36   2HZ   LYS   5          2HZ       LYS   5 -10.272 -10.867  11.731
   37   3HZ   LYS   5          3HZ       LYS   5  -8.690 -10.875  12.350
   38    H    SER   6           H        SER   6  -3.109 -10.558   7.097
   39    HA   SER   6           HA       SER   6  -0.828  -8.982   7.719
   40   1HB   SER   6          1HB       SER   6   0.088  -9.839   5.493
   41   2HB   SER   6          2HB       SER   6  -0.434 -11.084   6.677
   42    HG   SER   6           HG       SER   6  -1.104 -11.461   4.542
   43    H    ALA   7           H        ALA   7   0.301  -7.469   6.261
   44    HA   ALA   7           HA       ALA   7  -1.427  -5.423   5.251
   45   1HB   ALA   7          1HB       ALA   7   0.850  -4.899   6.163
   46   2HB   ALA   7          2HB       ALA   7   0.719  -4.394   4.439
   47   3HB   ALA   7          3HB       ALA   7   1.580  -5.914   4.871
   48    H    CYS   8           H        CYS   8  -2.103  -5.002   3.246
   49    HA   CYS   8           HA       CYS   8  -1.239  -6.750   1.001
   50   1HB   CYS   8          1HB       CYS   8  -3.989  -5.714   1.778
   51   2HB   CYS   8          2HB       CYS   8  -3.600  -6.143   0.079
   52    H    CYS   9           H        CYS   9  -1.332  -5.814  -1.112
   53    HA   CYS   9           HA       CYS   9  -1.543  -2.896  -1.256
   54   1HB   CYS   9          1HB       CYS   9   0.863  -3.471  -0.674
   55   2HB   CYS   9          2HB       CYS   9   0.904  -4.568  -2.077
   56    H    ASP  10           H        ASP  10  -2.571  -2.373  -3.271
   57    HA   ASP  10           HA       ASP  10  -3.095  -4.609  -5.043
   58   1HB   ASP  10          1HB       ASP  10  -3.821  -1.661  -5.346
   59   2HB   ASP  10          2HB       ASP  10  -4.439  -2.955  -6.348
   60    HD2  ASP  10           HD2      ASP  10  -6.617  -4.155  -4.044
   61    H    THR  11           H        THR  11  -1.073  -1.636  -5.266
   62    HA   THR  11           HA       THR  11   0.309  -2.641  -7.626
   63    HB   THR  11           HB       THR  11  -1.029   0.128  -7.634
   64    HG1  THR  11           HG1      THR  11  -2.522  -0.655  -9.051
   65   1HG2  THR  11          1HG2      THR  11   0.107  -1.687  -9.877
   66   2HG2  THR  11          2HG2      THR  11   0.891  -0.191  -9.226
   67   3HG2  THR  11          3HG2      THR  11  -0.643  -0.074 -10.131
   68    H    CYS  12           H        CYS  12   2.369  -1.793  -7.690
   69    HA   CYS  12           HA       CYS  12   3.170   0.371  -5.924
   70   1HB   CYS  12          1HB       CYS  12   4.552  -1.131  -4.577
   71   2HB   CYS  12          2HB       CYS  12   2.839  -1.708  -4.602
   72    H    LEU  13           H        LEU  13   5.417   0.687  -5.820
   73    HA   LEU  13           HA       LEU  13   6.837   0.247  -8.348
   74   1HB   LEU  13          1HB       LEU  13   5.199   2.060  -8.647
   75   2HB   LEU  13          2HB       LEU  13   5.719   2.843  -7.129
   76    HG   LEU  13           HG       LEU  13   6.376   3.967  -9.271
   77   1HD1  LEU  13          1HD1      LEU  13   7.575   4.377  -7.112
   78   2HD1  LEU  13          2HD1      LEU  13   8.560   4.702  -8.592
   79   3HD1  LEU  13          3HD1      LEU  13   8.857   3.214  -7.626
   80   1HD2  LEU  13          1HD2      LEU  13   6.910   1.933 -10.637
   81   2HD2  LEU  13          2HD2      LEU  13   8.403   1.676  -9.652
   82   3HD2  LEU  13          3HD2      LEU  13   8.234   3.157 -10.654
   83    H    CYS  14           H        CYS  14   8.777  -0.260  -7.763
   84    HA   CYS  14           HA       CYS  14   9.952   0.760  -5.307
   85   1HB   CYS  14          1HB       CYS  14  10.903  -1.487  -7.102
   86   2HB   CYS  14          2HB       CYS  14  11.733  -0.905  -5.646
   87    H    THR  15           H        THR  15  11.781   1.993  -5.233
   88    HA   THR  15           HA       THR  15  12.320   3.406  -7.717
   89    HB   THR  15           HB       THR  15  13.847   4.791  -6.424
   90    HG1  THR  15           HG1      THR  15  14.313   4.287  -4.399
   91   1HG2  THR  15          1HG2      THR  15  12.026   5.845  -5.053
   92   2HG2  THR  15          2HG2      THR  15  11.043   4.344  -5.174
   93   3HG2  THR  15          3HG2      THR  15  11.400   5.296  -6.657
   94    H    ARG  16           H        ARG  16  14.220   3.439  -8.827
   95    HA   ARG  16           HA       ARG  16  16.116   1.265  -8.339
   96   1HB   ARG  16          1HB       ARG  16  16.100   3.411 -10.505
   97   2HB   ARG  16          2HB       ARG  16  17.240   2.020 -10.416
   98   1HG   ARG  16          1HG       ARG  16  15.333   0.435 -10.532
   99   2HG   ARG  16          2HG       ARG  16  14.205   1.824 -10.775
  100   1HD   ARG  16          1HD       ARG  16  15.542   2.473 -12.847
  101   2HD   ARG  16          2HD       ARG  16  16.512   0.944 -12.655
  102    HE   ARG  16           HE       ARG  16  13.872   0.068 -12.498
  103   1HH1  ARG  16          1HH1      ARG  16  15.614   2.090 -14.868
  104   2HH1  ARG  16          2HH1      ARG  16  14.492   1.771 -16.148
  105   1HH2  ARG  16          1HH2      ARG  16  12.404  -0.351 -14.210
  106   2HH2  ARG  16          2HH2      ARG  16  12.659   0.342 -15.784
  107    H    SER  17           H        SER  17  15.770   3.699  -6.534
  108    HA   SER  17           HA       SER  17  18.234   5.114  -6.567
  109   1HB   SER  17          1HB       SER  17  17.564   6.109  -4.424
  110   2HB   SER  17          2HB       SER  17  16.224   6.130  -5.580
  111    HG   SER  17           HG       SER  17  16.567   4.593  -3.250
  112    H    GLN  18           H        GLN  18  19.623   5.163  -4.508
  113    HA   GLN  18           HA       GLN  18  20.194   2.555  -3.332
  114   1HB   GLN  18          1HB       GLN  18  21.972   4.308  -5.120
  115   2HB   GLN  18          2HB       GLN  18  22.687   3.140  -3.972
  116   1HG   GLN  18          1HG       GLN  18  20.832   2.389  -6.351
  117   2HG   GLN  18          2HG       GLN  18  22.620   2.275  -6.322
  118   1HE2  GLN  18          1HE2      GLN  18  19.617   0.863  -5.022
  119   2HE2  GLN  18          2HE2      GLN  18  20.385  -0.613  -4.439
  120    HA   PRO  19           HA       PRO  19  20.090   2.233  -1.120
  121   1HB   PRO  19          1HB       PRO  19  18.451   3.017   1.037
  122   2HB   PRO  19          2HB       PRO  19  20.273   2.902   1.116
  123   1HG   PRO  19          1HG       PRO  19  18.595   5.396   0.520
  124   2HG   PRO  19          2HG       PRO  19  19.894   5.197   1.771
  125   1HD   PRO  19          1HD       PRO  19  20.456   6.288  -0.679
  126   2HD   PRO  19          2HD       PRO  19  21.627   5.107   0.074
  127    HA   PRO  20           HA       PRO  20  16.252   2.333  -3.346
  128   1HB   PRO  20          1HB       PRO  20  15.307  -0.202  -3.005
  129   2HB   PRO  20          2HB       PRO  20  16.924   0.070  -3.758
  130   1HG   PRO  20          1HG       PRO  20  16.336  -0.536  -0.801
  131   2HG   PRO  20          2HG       PRO  20  17.452  -1.445  -1.902
  132   1HD   PRO  20          1HD       PRO  20  18.313   0.604  -0.219
  133   2HD   PRO  20          2HD       PRO  20  19.061   0.341  -1.874
  134    H    THR  21           H        THR  21  13.851   2.031  -3.171
  135    HA   THR  21           HA       THR  21  12.672   1.923  -0.502
  136    HB   THR  21           HB       THR  21  13.469   4.385  -1.836
  137    HG1  THR  21           HG1      THR  21  12.890   5.281   0.023
  138   1HG2  THR  21          1HG2      THR  21  11.269   4.372  -3.006
  139   2HG2  THR  21          2HG2      THR  21  11.395   5.704  -1.824
  140   3HG2  THR  21          3HG2      THR  21  10.408   4.257  -1.418
  141    H    CYS  22           H        CYS  22  10.354   1.665  -0.656
  142    HA   CYS  22           HA       CYS  22   9.277   1.484  -3.357
  143   1HB   CYS  22          1HB       CYS  22  10.460  -0.775  -2.726
  144   2HB   CYS  22          2HB       CYS  22   9.096  -1.016  -1.598
  145    H    ARG  23           H        ARG  23   6.990   1.158  -3.431
  146    HA   ARG  23           HA       ARG  23   5.459   1.550  -1.034
  147   1HB   ARG  23          1HB       ARG  23   6.862   3.836  -1.784
  148   2HB   ARG  23          2HB       ARG  23   5.422   4.016  -2.799
  149   1HG   ARG  23          1HG       ARG  23   4.108   3.666  -0.439
  150   2HG   ARG  23          2HG       ARG  23   5.698   4.017   0.253
  151   1HD   ARG  23          1HD       ARG  23   4.406   6.081   0.108
  152   2HD   ARG  23          2HD       ARG  23   5.687   6.186  -1.194
  153    HE   ARG  23           HE       ARG  23   3.371   4.914  -2.291
  154   1HH1  ARG  23          1HH1      ARG  23   4.226   8.109  -0.976
  155   2HH1  ARG  23          2HH1      ARG  23   3.151   8.985  -2.003
  156   1HH2  ARG  23          1HH2      ARG  23   1.967   6.021  -3.651
  157   2HH2  ARG  23          2HH2      ARG  23   1.786   7.745  -3.585
  158    H    CYS  24           H        CYS  24   3.248   1.584  -1.398
  159    HA   CYS  24           HA       CYS  24   2.309   0.651  -3.918
  160   1HB   CYS  24          1HB       CYS  24   0.771   1.485  -1.400
  161   2HB   CYS  24          2HB       CYS  24   0.078   0.578  -2.778
  162    H    VAL  25           H        VAL  25   1.771   1.904  -5.632
  163    HA   VAL  25           HA       VAL  25   1.252   4.668  -5.458
  164    HB   VAL  25           HB       VAL  25   0.842   4.582  -7.847
  165   1HG1  VAL  25          1HG1      VAL  25   3.345   3.013  -6.879
  166   2HG1  VAL  25          2HG1      VAL  25   3.147   4.806  -6.840
  167   3HG1  VAL  25          3HG1      VAL  25   3.191   3.934  -8.417
  168   1HG2  VAL  25          1HG2      VAL  25   1.193   2.473  -9.103
  169   2HG2  VAL  25          2HG2      VAL  25  -0.199   2.267  -8.002
  170   3HG2  VAL  25          3HG2      VAL  25   1.408   1.541  -7.597
  171    H    ASP  26           H        ASP  26  -0.649   1.827  -5.244
  172    HA   ASP  26           HA       ASP  26  -3.157   3.344  -5.582
  173   1HB   ASP  26          1HB       ASP  26  -2.706   1.099  -6.820
  174   2HB   ASP  26          2HB       ASP  26  -2.938   0.301  -5.221
  175    HD2  ASP  26           HD2      ASP  26  -5.064   0.524  -4.283
  176    H    VAL  27           H        VAL  27  -4.836   3.079  -3.986
  177    HA   VAL  27           HA       VAL  27  -3.782   3.206  -1.319
  178    HB   VAL  27           HB       VAL  27  -5.640   4.344  -0.748
  179   1HG1  VAL  27          1HG1      VAL  27  -6.155   5.947  -2.450
  180   2HG1  VAL  27          2HG1      VAL  27  -5.800   4.827  -3.787
  181   3HG1  VAL  27          3HG1      VAL  27  -4.451   5.448  -2.755
  182   1HG2  VAL  27          1HG2      VAL  27  -7.842   4.207  -2.011
  183   2HG2  VAL  27          2HG2      VAL  27  -7.434   2.704  -1.145
  184   3HG2  VAL  27          3HG2      VAL  27  -7.202   2.807  -2.938
  185    H    ARG  28           H        ARG  28  -5.110   2.263   0.522
  186    HA   ARG  28           HA       ARG  28  -6.358  -0.290  -0.186
  187   1HB   ARG  28          1HB       ARG  28  -4.707   0.525   2.246
  188   2HB   ARG  28          2HB       ARG  28  -5.854  -0.855   2.323
  189   1HG   ARG  28          1HG       ARG  28  -3.419  -0.607   0.462
  190   2HG   ARG  28          2HG       ARG  28  -3.567  -1.651   1.933
  191   1HD   ARG  28          1HD       ARG  28  -5.241  -1.984  -0.647
  192   2HD   ARG  28          2HD       ARG  28  -3.845  -3.002  -0.130
  193    HE   ARG  28           HE       ARG  28  -5.277  -3.279   2.070
  194   1HH1  ARG  28          1HH1      ARG  28  -6.769  -2.953  -1.176
  195   2HH1  ARG  28          2HH1      ARG  28  -8.281  -3.619  -0.648
  196   1HH2  ARG  28          1HH2      ARG  28  -7.234  -4.085   2.700
  197   2HH2  ARG  28          2HH2      ARG  28  -8.574  -4.251   1.579
  198    H    GLU  29           H        GLU  29  -8.092  -0.875   1.192
  199    HA   GLU  29           HA       GLU  29 -10.085   0.979   1.484
  200   1HB   GLU  29          1HB       GLU  29  -9.942  -1.601   1.153
  201   2HB   GLU  29          2HB       GLU  29  -9.964  -1.707   2.928
  202   1HG   GLU  29          1HG       GLU  29 -12.081  -0.142   1.242
  203   2HG   GLU  29          2HG       GLU  29 -12.192  -1.906   1.556
  204    HE2  GLU  29           HE2      GLU  29 -12.827  -1.582   4.961
  205    H    SER  30           H        SER  30  -7.617   0.189   3.608
  206    HA   SER  30           HA       SER  30  -8.388   2.045   5.673
  207   1HB   SER  30          1HB       SER  30  -8.287  -1.011   6.195
  208   2HB   SER  30          2HB       SER  30  -8.010   0.158   7.530
  209    HG   SER  30           HG       SER  30 -10.168  -0.507   7.408
  210    H    CYS  31           H        CYS  31  -6.537   1.811   7.520
  211    HA   CYS  31           HA       CYS  31  -4.022   1.237   6.081
  212   1HB   CYS  31          1HB       CYS  31  -4.646   3.606   7.100
  213   2HB   CYS  31          2HB       CYS  31  -4.147   2.833   8.663
  214    H    HIS  32           H        HIS  32  -2.782  -0.447   6.767
  215    HA   HIS  32           HA       HIS  32  -3.519  -1.805   9.266
  216   1HB   HIS  32          1HB       HIS  32  -3.374  -3.125   7.199
  217   2HB   HIS  32          2HB       HIS  32  -1.621  -2.667   7.033
  218    HD1  HIS  32           HD1      HIS  32  -3.878  -4.123   9.699
  219    HD2  HIS  32           HD2      HIS  32  -0.126  -4.829   7.972
  220    HE1  HIS  32           HE1      HIS  32  -2.894  -6.073  10.894
  221    HE2  HIS  32           HE2      HIS  32  -0.599  -6.494   9.840
  222    H    SER  33           H        SER  33  -1.210  -2.868  10.081
  223    HA   SER  33           HA       SER  33  -0.175  -0.842  11.611
  224   1HB   SER  33          1HB       SER  33   1.055  -3.646  11.211
  225   2HB   SER  33          2HB       SER  33   1.143  -2.637  12.701
  226    HG   SER  33           HG       SER  33  -0.556  -3.847  13.158
  227    H    ALA  34           H        ALA  34   1.407  -2.514   8.817
  228    HA   ALA  34           HA       ALA  34   3.952  -1.458   9.517
  229   1HB   ALA  34          1HB       ALA  34   4.725  -2.821   7.531
  230   2HB   ALA  34          2HB       ALA  34   3.000  -3.175   7.144
  231   3HB   ALA  34          3HB       ALA  34   3.721  -3.776   8.676
  232    H    CYS  35           H        CYS  35   2.351   0.584   9.093
  233    HA   CYS  35           HA       CYS  35   3.646   1.970   6.817
  234   1HB   CYS  35          1HB       CYS  35   1.242   1.665   6.323
  235   2HB   CYS  35          2HB       CYS  35   0.819   2.305   7.969
  236    H    ASP  36           H        ASP  36   4.148   4.259   7.325
  237    HA   ASP  36           HA       ASP  36   4.283   4.815  10.258
  238   1HB   ASP  36          1HB       ASP  36   5.832   6.042   7.900
  239   2HB   ASP  36          2HB       ASP  36   5.676   6.875   9.482
  240    HD2  ASP  36           HD2      ASP  36   5.967   3.504   9.034
  241    H    LYS  37           H        LYS  37   3.532   6.713   7.213
  242    HA   LYS  37           HA       LYS  37   1.712   8.277   8.855
  243   1HB   LYS  37          1HB       LYS  37   3.649   9.340   7.539
  244   2HB   LYS  37          2HB       LYS  37   2.805   8.871   6.063
  245   1HG   LYS  37          1HG       LYS  37   2.269  11.158   6.487
  246   2HG   LYS  37          2HG       LYS  37   0.776  10.236   6.840
  247   1HD   LYS  37          1HD       LYS  37   1.248  10.367   9.300
  248   2HD   LYS  37          2HD       LYS  37   2.864  11.074   8.957
  249   1HE   LYS  37          1HE       LYS  37   1.748  13.122   7.972
  250   2HE   LYS  37          2HE       LYS  37   0.136  12.429   8.443
  251   1HZ   LYS  37          1HZ       LYS  37   0.971  13.917  10.102
  252   2HZ   LYS  37          2HZ       LYS  37   2.414  13.033  10.257
  253   3HZ   LYS  37          3HZ       LYS  37   0.937  12.336  10.718
  254    H    CYS  38           H        CYS  38  -0.200   7.077   8.931
  255    HA   CYS  38           HA       CYS  38  -1.477   6.257   6.442
  256   1HB   CYS  38          1HB       CYS  38  -2.109   6.321   9.438
  257   2HB   CYS  38          2HB       CYS  38  -3.326   5.706   8.254
  258    H    VAL  39           H        VAL  39  -2.184   8.094   5.209
  259    HA   VAL  39           HA       VAL  39  -3.881   9.975   6.701
  260    HB   VAL  39           HB       VAL  39  -3.768  11.405   4.805
  261   1HG1  VAL  39          1HG1      VAL  39  -1.355  11.883   4.752
  262   2HG1  VAL  39          2HG1      VAL  39  -0.968  10.226   5.323
  263   3HG1  VAL  39          3HG1      VAL  39  -1.787  11.394   6.453
  264   1HG2  VAL  39          1HG2      VAL  39  -2.156   9.198   3.489
  265   2HG2  VAL  39          2HG2      VAL  39  -2.383  10.914   2.916
  266   3HG2  VAL  39          3HG2      VAL  39  -3.808   9.813   2.987
  267    H    CYS  40           H        CYS  40  -6.197  10.032   6.103
  268    HA   CYS  40           HA       CYS  40  -7.048   8.031   4.129
  269   1HB   CYS  40          1HB       CYS  40  -7.886   8.224   7.031
  270   2HB   CYS  40          2HB       CYS  40  -8.736   7.243   5.822
  271    H    ALA  41           H        ALA  41  -8.159   9.097   2.765
  272    HA   ALA  41           HA       ALA  41  -9.841  11.325   3.399
  273   1HB   ALA  41          1HB       ALA  41  -8.734  11.018   1.195
  274   2HB   ALA  41          2HB       ALA  41 -10.500  11.365   1.125
  275   3HB   ALA  41          3HB       ALA  41  -9.881   9.681   0.842
  276    H    TYR  42           H        TYR  42 -12.017  11.511   3.481
  277    HA   TYR  42           HA       TYR  42 -13.318   9.315   4.676
  278   1HB   TYR  42          1HB       TYR  42 -15.067  11.017   5.213
  279   2HB   TYR  42          2HB       TYR  42 -13.397  11.588   5.568
  280    HD1  TYR  42           HD1      TYR  42 -16.236  11.867   3.095
  281    HD2  TYR  42           HD2      TYR  42 -12.491  13.521   4.423
  282    HE1  TYR  42           HE1      TYR  42 -16.610  13.870   1.695
  283    HE2  TYR  42           HE2      TYR  42 -12.916  15.534   3.099
  284    HH   TYR  42           HH       TYR  42 -14.195  16.502   1.531
  285    H    SER  43           H        SER  43 -12.940   9.758   1.674
  286    HA   SER  43           HA       SER  43 -15.145  10.302   0.235
  287   1HB   SER  43          1HB       SER  43 -12.831   8.478  -0.611
  288   2HB   SER  43          2HB       SER  43 -13.809   9.581  -1.689
  289    HG   SER  43           HG       SER  43 -11.768  10.435  -1.076
  290    H    ASN  44           H        ASN  44 -15.362   8.495  -1.859
  291    HA   ASN  44           HA       ASN  44 -16.594   6.097  -0.764
  292   1HB   ASN  44          1HB       ASN  44 -18.207   8.011  -0.807
  293   2HB   ASN  44          2HB       ASN  44 -17.916   8.224  -2.547
  294   1HD2  ASN  44          1HD2      ASN  44 -18.344   6.015  -3.857
  295   2HD2  ASN  44          2HD2      ASN  44 -19.720   5.103  -3.351
  296    HA   PRO  45           HA       PRO  45 -15.867   4.210  -1.027
  297   1HB   PRO  45          1HB       PRO  45 -13.739   2.522  -1.547
  298   2HB   PRO  45          2HB       PRO  45 -15.280   2.355  -2.400
  299   1HG   PRO  45          1HG       PRO  45 -12.810   3.900  -3.372
  300   2HG   PRO  45          2HG       PRO  45 -13.716   2.636  -4.275
  301   1HD   PRO  45          1HD       PRO  45 -14.206   5.351  -4.609
  302   2HD   PRO  45          2HD       PRO  45 -15.570   4.145  -4.664
  303    HA   PRO  46           HA       PRO  46 -12.979   6.640   1.215
  304   1HB   PRO  46          1HB       PRO  46 -12.416   5.203   3.497
  305   2HB   PRO  46          2HB       PRO  46 -14.078   5.827   3.166
  306   1HG   PRO  46          1HG       PRO  46 -12.999   3.016   2.552
  307   2HG   PRO  46          2HG       PRO  46 -14.510   3.485   3.458
  308   1HD   PRO  46          1HD       PRO  46 -14.479   2.828   0.754
  309   2HD   PRO  46          2HD       PRO  46 -15.621   4.156   1.441
  310    H    GLN  47           H        GLN  47 -10.646   6.837   1.913
  311    HA   GLN  47           HA       GLN  47  -9.026   4.839   0.445
  312   1HB   GLN  47          1HB       GLN  47  -8.630   7.876   0.496
  313   2HB   GLN  47          2HB       GLN  47  -7.708   6.677  -0.479
  314   1HG   GLN  47          1HG       GLN  47 -10.708   7.312  -0.916
  315   2HG   GLN  47          2HG       GLN  47  -9.354   8.166  -1.733
  316   1HE2  GLN  47          1HE2      GLN  47 -10.832   4.933  -1.317
  317   2HE2  GLN  47          2HE2      GLN  47 -10.244   4.318  -2.844
  318    H    CYS  48           H        CYS  48  -6.900   4.589   1.245
  319    HA   CYS  48           HA       CYS  48  -5.983   6.317   3.364
  320   1HB   CYS  48          1HB       CYS  48  -6.467   3.317   3.643
  321   2HB   CYS  48          2HB       CYS  48  -5.234   4.189   4.646
  322    H    GLN  49           H        GLN  49  -3.973   6.712   2.988
  323    HA   GLN  49           HA       GLN  49  -2.455   4.964   1.175
  324   1HB   GLN  49          1HB       GLN  49  -3.000   7.965   1.205
  325   2HB   GLN  49          2HB       GLN  49  -1.465   7.326   0.450
  326   1HG   GLN  49          1HG       GLN  49  -2.878   5.889  -1.058
  327   2HG   GLN  49          2HG       GLN  49  -4.354   6.636  -0.323
  328   1HE2  GLN  49          1HE2      GLN  49  -5.082   8.524  -1.354
  329   2HE2  GLN  49          2HE2      GLN  49  -4.325   9.044  -2.843
  330    H    CYS  50           H        CYS  50  -0.425   4.544   1.717
  331    HA   CYS  50           HA       CYS  50   0.563   5.700   4.239
  332   1HB   CYS  50          1HB       CYS  50   0.829   3.140   3.641
  333   2HB   CYS  50          2HB       CYS  50   2.099   3.684   2.508
  334    H    TYR  51           H        TYR  51   0.898   7.739   3.750
  335    HA   TYR  51           HA       TYR  51   2.050   8.789   1.436
  336   1HB   TYR  51          1HB       TYR  51   1.233   9.829   4.112
  337   2HB   TYR  51          2HB       TYR  51   2.752  10.608   3.584
  338    HD1  TYR  51           HD1      TYR  51   2.305  12.696   2.376
  339    HD2  TYR  51           HD2      TYR  51  -0.410   9.351   1.914
  340    HE1  TYR  51           HE1      TYR  51   1.089  13.908   0.715
  341    HE2  TYR  51           HE2      TYR  51  -1.587  10.557   0.191
  342    HH   TYR  51           HH       TYR  51  -1.574  12.364  -1.182
  343    H    ASP  52           H        ASP  52   3.603   7.458   4.105
  344    HA   ASP  52           HA       ASP  52   6.242   8.529   3.385
  345   1HB   ASP  52          1HB       ASP  52   5.569   8.260   5.838
  346   2HB   ASP  52          2HB       ASP  52   5.514   6.470   5.569
  347    HD2  ASP  52           HD2      ASP  52   8.778   6.470   6.573
  348    H    THR  53           H        THR  53   8.039   7.237   2.768
  349    HA   THR  53           HA       THR  53   7.474   5.093   1.012
  350    HB   THR  53           HB       THR  53  10.065   4.852   1.061
  351    HG1  THR  53           HG1      THR  53  11.114   6.430   2.099
  352   1HG2  THR  53          1HG2      THR  53   8.716   7.537   0.294
  353   2HG2  THR  53          2HG2      THR  53   8.800   6.056  -0.728
  354   3HG2  THR  53          3HG2      THR  53  10.304   6.940  -0.307
  355    H    HIS  54           H        HIS  54   8.529   2.891   1.147
  356    HA   HIS  54           HA       HIS  54   9.090   2.002   3.819
  357   1HB   HIS  54          1HB       HIS  54   6.490   1.676   3.342
  358   2HB   HIS  54          2HB       HIS  54   7.000   0.518   2.076
  359    HD1  HIS  54           HD1      HIS  54   6.123  -1.500   2.976
  360    HD2  HIS  54           HD2      HIS  54   8.238   0.546   5.953
  361    HE1  HIS  54           HE1      HIS  54   6.185  -2.997   4.950
  362    HE2  HIS  54           HE2      HIS  54   7.474  -1.741   6.776
  363    H    LYS  55           H        LYS  55   9.196  -0.792   2.868
  364    HA   LYS  55           HA       LYS  55  10.869  -0.653   0.502
  365   1HB   LYS  55          1HB       LYS  55  12.743  -1.741   1.697
  366   2HB   LYS  55          2HB       LYS  55  12.417  -0.064   2.245
  367   1HG   LYS  55          1HG       LYS  55  11.162  -0.940   4.238
  368   2HG   LYS  55          2HG       LYS  55  11.594  -2.622   3.756
  369   1HD   LYS  55          1HD       LYS  55  13.597  -0.334   4.309
  370   2HD   LYS  55          2HD       LYS  55  13.076  -1.536   5.540
  371   1HE   LYS  55          1HE       LYS  55  14.071  -3.395   4.224
  372   2HE   LYS  55          2HE       LYS  55  14.536  -2.255   2.895
  373   1HZ   LYS  55          1HZ       LYS  55  15.467  -2.090   5.710
  374   2HZ   LYS  55          2HZ       LYS  55  15.905  -1.056   4.442
  375   3HZ   LYS  55          3HZ       LYS  55  16.352  -2.692   4.394
  376    H    PHE  56           H        PHE  56   8.409  -1.767   0.449
  377    HA   PHE  56           HA       PHE  56   9.024  -4.480  -0.030
  378   1HB   PHE  56          1HB       PHE  56   8.322  -4.078   2.637
  379   2HB   PHE  56          2HB       PHE  56   6.674  -4.163   1.933
  380    HD1  PHE  56           HD1      PHE  56  10.030  -5.905   1.954
  381    HD2  PHE  56           HD2      PHE  56   5.759  -6.350   1.610
  382    HE1  PHE  56           HE1      PHE  56  10.279  -8.350   1.926
  383    HE2  PHE  56           HE2      PHE  56   6.010  -8.789   1.596
  384    HZ   PHE  56           HZ       PHE  56   8.276  -9.813   1.746
  385    H    CYS  57           H        CYS  57   6.841  -5.571  -0.697
  386    HA   CYS  57           HA       CYS  57   4.601  -3.928  -1.131
  387   1HB   CYS  57          1HB       CYS  57   5.811  -3.214  -3.138
  388   2HB   CYS  57          2HB       CYS  57   6.199  -4.907  -3.543
  389    H    TYR  58           H        TYR  58   3.075  -5.218  -0.471
  390    HA   TYR  58           HA       TYR  58   3.377  -8.121  -0.552
  391   1HB   TYR  58          1HB       TYR  58   1.334  -6.199   0.669
  392   2HB   TYR  58          2HB       TYR  58   0.979  -7.934   0.576
  393    HD1  TYR  58           HD1      TYR  58   2.375  -9.617   1.800
  394    HD2  TYR  58           HD2      TYR  58   3.056  -5.375   2.265
  395    HE1  TYR  58           HE1      TYR  58   3.610 -10.040   3.830
  396    HE2  TYR  58           HE2      TYR  58   4.357  -5.809   4.251
  397    HH   TYR  58           HH       TYR  58   4.759  -9.122   5.615
  398    H    LYS  59           H        LYS  59   1.626  -9.498  -1.124
  399    HA   LYS  59           HA       LYS  59   0.397  -9.332  -3.613
  400   1HB   LYS  59          1HB       LYS  59  -0.308 -10.928  -1.109
  401   2HB   LYS  59          2HB       LYS  59  -1.025 -11.198  -2.737
  402   1HG   LYS  59          1HG       LYS  59   1.292 -11.686  -3.648
  403   2HG   LYS  59          2HG       LYS  59   1.962 -11.540  -1.992
  404   1HD   LYS  59          1HD       LYS  59   0.357 -13.380  -1.246
  405   2HD   LYS  59          2HD       LYS  59  -0.102 -13.597  -2.976
  406   1HE   LYS  59          1HE       LYS  59   2.306 -14.099  -3.542
  407   2HE   LYS  59          2HE       LYS  59   2.756 -13.870  -1.802
  408   1HZ   LYS  59          1HZ       LYS  59   2.479 -16.159  -2.319
  409   2HZ   LYS  59          2HZ       LYS  59   0.913 -15.916  -2.920
  410   3HZ   LYS  59          3HZ       LYS  59   1.231 -15.685  -1.267
  411    H    ALA  60           H        ALA  60  -1.906  -9.275  -4.102
  412    HA   ALA  60           HA       ALA  60  -3.201  -7.088  -2.820
  413   1HB   ALA  60          1HB       ALA  60  -4.897  -7.427  -4.607
  414   2HB   ALA  60          2HB       ALA  60  -4.085  -8.993  -5.043
  415   3HB   ALA  60          3HB       ALA  60  -3.216  -7.436  -5.263
  416    H    CYS  61           H        CYS  61  -5.045  -6.960  -1.759
  417    HA   CYS  61           HA       CYS  61  -6.270  -9.378  -0.606
  418   1HB   CYS  61          1HB       CYS  61  -6.275  -6.437   0.236
  419   2HB   CYS  61          2HB       CYS  61  -7.609  -7.510   0.732
  420    H    HIS  62           H        HIS  62  -7.624 -10.015  -2.281
  421    HA   HIS  62           HA       HIS  62  -9.693  -8.031  -3.074
  422   1HB   HIS  62          1HB       HIS  62  -8.452 -10.313  -4.717
  423   2HB   HIS  62          2HB       HIS  62  -9.975  -9.518  -5.166
  424    HD1  HIS  62           HD1      HIS  62  -8.459  -9.125  -7.318
  425    HD2  HIS  62           HD2      HIS  62  -7.710  -6.662  -4.005
  426    HE1  HIS  62           HE1      HIS  62  -7.307  -7.076  -8.167
  427    HE2  HIS  62           HE2      HIS  62  -6.818  -5.620  -6.148
  428    H    ASN  63           H        ASN  63 -11.854  -8.918  -3.288
  429    HA   ASN  63           HA       ASN  63 -12.432 -10.980  -1.423
  430   1HB   ASN  63          1HB       ASN  63 -14.279  -9.714  -3.536
  431   2HB   ASN  63          2HB       ASN  63 -14.813 -10.744  -2.184
  432   1HD2  ASN  63          1HD2      ASN  63 -13.624  -9.825   0.099
  433   2HD2  ASN  63          2HD2      ASN  63 -14.007  -8.156   0.306
  434    H    SER  64           H        SER  64 -12.695 -10.806  -4.935
  435    HA   SER  64           HA       SER  64 -12.881 -13.726  -5.097
  436   1HB   SER  64          1HB       SER  64 -12.793 -11.663  -7.360
  437   2HB   SER  64          2HB       SER  64 -13.138 -13.423  -7.549
  438    HG   SER  64           HG       SER  64 -14.684 -11.394  -6.314
  439    H    GLU  65           H        GLU  65 -10.460 -12.896  -3.971
  440    HA   GLU  65           HA       GLU  65  -8.295 -12.846  -5.722
  441   1HB   GLU  65          1HB       GLU  65  -6.876 -13.171  -3.864
  442   2HB   GLU  65          2HB       GLU  65  -8.266 -12.226  -3.303
  443   1HG   GLU  65          1HG       GLU  65  -9.270 -14.464  -2.359
  444   2HG   GLU  65          2HG       GLU  65  -7.681 -15.214  -2.726
  445    HE2  GLU  65           HE2      GLU  65  -5.853 -14.089  -1.851
  446    H    ILE  66           H        ILE  66 -10.287 -15.394  -5.087
  447    HA   ILE  66           HA       ILE  66  -8.768 -17.345  -6.545
  448    HB   ILE  66           HB       ILE  66  -9.097 -19.126  -4.808
  449   1HG1  ILE  66          1HG1      ILE  66  -9.431 -16.822  -2.792
  450   2HG1  ILE  66          2HG1      ILE  66 -10.798 -17.807  -3.412
  451   1HG2  ILE  66          1HG2      ILE  66  -7.150 -16.896  -3.968
  452   2HG2  ILE  66          2HG2      ILE  66  -6.878 -18.063  -5.310
  453   3HG2  ILE  66          3HG2      ILE  66  -7.020 -18.653  -3.617
  454   1HD1  ILE  66          1HD1      ILE  66  -8.371 -18.884  -1.832
  455   2HD1  ILE  66          2HD1      ILE  66  -9.683 -19.896  -2.542
  456   3HD1  ILE  66          3HD1      ILE  66 -10.061 -18.703  -1.246
  457    H    GLU  67           H        GLU  67 -10.189 -19.445  -6.796
  458    HA   GLU  67           HA       GLU  67 -12.856 -19.295  -6.091
  459   1HB   GLU  67          1HB       GLU  67 -13.778 -19.485  -8.396
  460   2HB   GLU  67          2HB       GLU  67 -13.182 -17.837  -8.075
  461   1HG   GLU  67          1HG       GLU  67 -11.633 -20.038  -9.639
  462   2HG   GLU  67          2HG       GLU  67 -12.631 -18.758 -10.415
  463    HE2  GLU  67           HE2      GLU  67 -11.999 -16.632  -9.074
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  -6.324 -20.884   4.973
    2   2H    GLY   1          2H        GLY   1  -6.226 -19.704   3.759
    3   3H    GLY   1          3H        GLY   1  -7.728 -20.091   4.442
    4   1HA   GLY   1          1HA       GLY   1  -6.883 -19.333   6.591
    5   2HA   GLY   1          2HA       GLY   1  -5.454 -18.694   5.669
    6    H    ASP   2           H        ASP   2  -7.696 -17.339   7.236
    7    HA   ASP   2           HA       ASP   2  -8.144 -15.237   5.328
    8   1HB   ASP   2          1HB       ASP   2 -10.110 -17.370   5.451
    9   2HB   ASP   2          2HB       ASP   2 -10.844 -16.016   6.354
   10    HD2  ASP   2           HD2      ASP   2  -9.037 -16.693   3.494
   11    H    ASP   3           H        ASP   3  -7.402 -16.109   8.326
   12    HA   ASP   3           HA       ASP   3  -8.211 -13.523   9.402
   13   1HB   ASP   3          1HB       ASP   3  -9.607 -15.464  10.362
   14   2HB   ASP   3          2HB       ASP   3  -8.088 -16.192  10.990
   15    HD2  ASP   3           HD2      ASP   3  -6.998 -15.027  12.517
   16    H    VAL   4           H        VAL   4  -6.134 -13.553   8.020
   17    HA   VAL   4           HA       VAL   4  -3.767 -14.025   9.721
   18    HB   VAL   4           HB       VAL   4  -3.839 -13.668   6.685
   19   1HG1  VAL   4          1HG1      VAL   4  -1.524 -14.676   6.867
   20   2HG1  VAL   4          2HG1      VAL   4  -1.691 -14.692   8.655
   21   3HG1  VAL   4          3HG1      VAL   4  -1.635 -13.135   7.768
   22   1HG2  VAL   4          1HG2      VAL   4  -3.387 -16.184   6.603
   23   2HG2  VAL   4          2HG2      VAL   4  -5.042 -15.805   7.182
   24   3HG2  VAL   4          3HG2      VAL   4  -3.762 -16.283   8.359
   25    H    LYS   5           H        LYS   5  -2.419 -12.135  10.070
   26    HA   LYS   5           HA       LYS   5  -3.850  -9.647   9.479
   27   1HB   LYS   5          1HB       LYS   5  -1.714 -10.434  11.526
   28   2HB   LYS   5          2HB       LYS   5  -2.303  -8.761  11.321
   29   1HG   LYS   5          1HG       LYS   5  -4.665  -9.560  11.757
   30   2HG   LYS   5          2HG       LYS   5  -4.010 -11.176  12.175
   31   1HD   LYS   5          1HD       LYS   5  -2.636 -10.188  13.998
   32   2HD   LYS   5          2HD       LYS   5  -3.129  -8.529  13.504
   33   1HE   LYS   5          1HE       LYS   5  -5.524  -9.067  14.097
   34   2HE   LYS   5          2HE       LYS   5  -4.998 -10.704  14.674
   35   1HZ   LYS   5          1HZ       LYS   5  -4.020  -8.083  15.686
   36   2HZ   LYS   5          2HZ       LYS   5  -3.538  -9.616  16.239
   37   3HZ   LYS   5          3HZ       LYS   5  -5.144  -9.104  16.446
   38    H    SER   6           H        SER   6  -2.002 -11.145   7.673
   39    HA   SER   6           HA       SER   6   0.271  -9.608   7.107
   40   1HB   SER   6          1HB       SER   6  -1.485 -11.054   5.064
   41   2HB   SER   6          2HB       SER   6   0.181 -10.408   4.777
   42    HG   SER   6           HG       SER   6   0.572 -12.457   5.344
   43    H    ALA   7           H        ALA   7   0.578  -7.575   6.316
   44    HA   ALA   7           HA       ALA   7  -1.568  -6.033   5.230
   45   1HB   ALA   7          1HB       ALA   7   1.489  -5.668   5.023
   46   2HB   ALA   7          2HB       ALA   7   0.437  -4.974   6.309
   47   3HB   ALA   7          3HB       ALA   7   0.270  -4.409   4.607
   48    H    CYS   8           H        CYS   8  -1.693  -5.219   3.009
   49    HA   CYS   8           HA       CYS   8  -0.628  -7.119   1.013
   50   1HB   CYS   8          1HB       CYS   8  -2.804  -7.309  -0.046
   51   2HB   CYS   8          2HB       CYS   8  -2.890  -7.831   1.663
   52    H    CYS   9           H        CYS   9  -0.682  -6.329  -1.230
   53    HA   CYS   9           HA       CYS   9  -1.267  -3.530  -1.608
   54   1HB   CYS   9          1HB       CYS   9   1.048  -3.343  -0.696
   55   2HB   CYS   9          2HB       CYS   9   1.589  -4.633  -1.814
   56    H    ASP  10           H        ASP  10  -2.039  -3.333  -3.729
   57    HA   ASP  10           HA       ASP  10  -1.831  -5.683  -5.431
   58   1HB   ASP  10          1HB       ASP  10  -3.400  -3.078  -5.373
   59   2HB   ASP  10          2HB       ASP  10  -3.397  -4.041  -6.841
   60    HD2  ASP  10           HD2      ASP  10  -6.064  -5.698  -5.581
   61    H    THR  11           H        THR  11  -0.155  -2.629  -5.262
   62    HA   THR  11           HA       THR  11   1.433  -3.361  -7.556
   63    HB   THR  11           HB       THR  11  -0.308  -0.851  -7.671
   64    HG1  THR  11           HG1      THR  11  -0.814  -3.157  -8.563
   65   1HG2  THR  11          1HG2      THR  11   0.962  -0.438  -9.859
   66   2HG2  THR  11          2HG2      THR  11   2.080  -1.789  -9.425
   67   3HG2  THR  11          3HG2      THR  11   2.035  -0.284  -8.436
   68    H    CYS  12           H        CYS  12   3.224  -3.318  -6.541
   69    HA   CYS  12           HA       CYS  12   3.956  -1.184  -4.712
   70   1HB   CYS  12          1HB       CYS  12   5.438  -3.644  -5.795
   71   2HB   CYS  12          2HB       CYS  12   6.137  -2.492  -4.564
   72    H    LEU  13           H        LEU  13   4.608   0.756  -5.534
   73    HA   LEU  13           HA       LEU  13   6.089   0.809  -8.067
   74   1HB   LEU  13          1HB       LEU  13   4.398   2.415  -7.861
   75   2HB   LEU  13          2HB       LEU  13   4.940   2.967  -6.240
   76    HG   LEU  13           HG       LEU  13   6.744   3.214  -8.722
   77   1HD1  LEU  13          1HD1      LEU  13   4.529   5.188  -7.863
   78   2HD1  LEU  13          2HD1      LEU  13   4.484   4.122  -9.316
   79   3HD1  LEU  13          3HD1      LEU  13   5.724   5.425  -9.192
   80   1HD2  LEU  13          1HD2      LEU  13   6.414   4.950  -6.175
   81   2HD2  LEU  13          2HD2      LEU  13   7.543   5.295  -7.535
   82   3HD2  LEU  13          3HD2      LEU  13   7.793   3.842  -6.509
   83    H    CYS  14           H        CYS  14   8.157   0.441  -8.015
   84    HA   CYS  14           HA       CYS  14   9.669   1.055  -5.587
   85   1HB   CYS  14          1HB       CYS  14  10.454  -0.572  -8.007
   86   2HB   CYS  14          2HB       CYS  14  11.555  -0.142  -6.679
   87    H    THR  15           H        THR  15  11.068   2.623  -5.338
   88    HA   THR  15           HA       THR  15  10.896   4.742  -7.314
   89    HB   THR  15           HB       THR  15  12.154   6.113  -5.782
   90    HG1  THR  15           HG1      THR  15  12.455   5.185  -3.648
   91   1HG2  THR  15          1HG2      THR  15   9.651   5.791  -5.576
   92   2HG2  THR  15          2HG2      THR  15  10.414   6.164  -3.987
   93   3HG2  THR  15          3HG2      THR  15   9.915   4.477  -4.372
   94    H    ARG  16           H        ARG  16  12.614   5.683  -8.462
   95    HA   ARG  16           HA       ARG  16  15.077   4.138  -8.631
   96   1HB   ARG  16          1HB       ARG  16  14.477   6.633 -10.230
   97   2HB   ARG  16          2HB       ARG  16  15.728   5.376 -10.489
   98   1HG   ARG  16          1HG       ARG  16  13.550   3.758 -10.601
   99   2HG   ARG  16          2HG       ARG  16  12.748   5.301 -11.048
  100   1HD   ARG  16          1HD       ARG  16  13.365   4.355 -13.135
  101   2HD   ARG  16          2HD       ARG  16  14.719   5.524 -12.839
  102    HE   ARG  16           HE       ARG  16  15.396   2.995 -11.641
  103   1HH1  ARG  16          1HH1      ARG  16  14.916   4.408 -14.886
  104   2HH1  ARG  16          2HH1      ARG  16  15.823   3.171 -15.696
  105   1HH2  ARG  16          1HH2      ARG  16  16.554   1.322 -12.766
  106   2HH2  ARG  16          2HH2      ARG  16  16.763   1.409 -14.484
  107    H    SER  17           H        SER  17  14.478   5.263  -6.149
  108    HA   SER  17           HA       SER  17  16.066   7.575  -5.630
  109   1HB   SER  17          1HB       SER  17  14.167   6.624  -4.150
  110   2HB   SER  17          2HB       SER  17  15.425   5.552  -3.454
  111    HG   SER  17           HG       SER  17  15.168   7.453  -2.309
  112    H    GLN  18           H        GLN  18  17.580   6.783  -3.384
  113    HA   GLN  18           HA       GLN  18  19.668   4.961  -4.309
  114   1HB   GLN  18          1HB       GLN  18  20.171   7.916  -3.650
  115   2HB   GLN  18          2HB       GLN  18  21.448   6.664  -3.812
  116   1HG   GLN  18          1HG       GLN  18  21.635   7.671  -5.881
  117   2HG   GLN  18          2HG       GLN  18  20.498   6.334  -6.286
  118   1HE2  GLN  18          1HE2      GLN  18  19.362   7.358  -7.961
  119   2HE2  GLN  18          2HE2      GLN  18  18.444   8.842  -7.737
  120    HA   PRO  19           HA       PRO  19  19.840   3.140  -3.320
  121   1HB   PRO  19          1HB       PRO  19  19.073   1.228  -1.491
  122   2HB   PRO  19          2HB       PRO  19  20.731   2.000  -1.426
  123   1HG   PRO  19          1HG       PRO  19  18.228   2.791   0.179
  124   2HG   PRO  19          2HG       PRO  19  19.891   2.421   0.802
  125   1HD   PRO  19          1HD       PRO  19  19.001   5.017   0.245
  126   2HD   PRO  19          2HD       PRO  19  20.740   4.529   0.011
  127    HA   PRO  20           HA       PRO  20  15.537   3.356  -4.254
  128   1HB   PRO  20          1HB       PRO  20  14.996   1.048  -5.657
  129   2HB   PRO  20          2HB       PRO  20  16.178   2.270  -6.270
  130   1HG   PRO  20          1HG       PRO  20  16.808  -0.261  -4.656
  131   2HG   PRO  20          2HG       PRO  20  17.514   0.252  -6.251
  132   1HD   PRO  20          1HD       PRO  20  18.757   0.801  -3.829
  133   2HD   PRO  20          2HD       PRO  20  18.797   2.011  -5.205
  134    H    THR  21           H        THR  21  13.369   2.572  -3.793
  135    HA   THR  21           HA       THR  21  13.089   0.476  -1.787
  136    HB   THR  21           HB       THR  21  14.132   2.547  -0.651
  137    HG1  THR  21           HG1      THR  21  11.692   1.594   0.488
  138   1HG2  THR  21          1HG2      THR  21  12.531   4.277   0.125
  139   2HG2  THR  21          2HG2      THR  21  11.251   3.620  -0.958
  140   3HG2  THR  21          3HG2      THR  21  12.756   4.330  -1.648
  141    H    CYS  22           H        CYS  22  10.551   0.659  -0.971
  142    HA   CYS  22           HA       CYS  22   9.077   1.537  -3.391
  143   1HB   CYS  22          1HB       CYS  22   8.901  -1.315  -2.257
  144   2HB   CYS  22          2HB       CYS  22   8.145  -0.744  -3.748
  145    H    ARG  23           H        ARG  23   6.765   1.150  -3.299
  146    HA   ARG  23           HA       ARG  23   5.422   0.928  -0.830
  147   1HB   ARG  23          1HB       ARG  23   4.791   3.434  -0.609
  148   2HB   ARG  23          2HB       ARG  23   6.387   2.942  -0.065
  149   1HG   ARG  23          1HG       ARG  23   6.798   4.932  -1.110
  150   2HG   ARG  23          2HG       ARG  23   7.380   3.735  -2.312
  151   1HD   ARG  23          1HD       ARG  23   6.145   5.607  -3.420
  152   2HD   ARG  23          2HD       ARG  23   5.169   4.073  -3.575
  153    HE   ARG  23           HE       ARG  23   4.635   5.567  -1.110
  154   1HH1  ARG  23          1HH1      ARG  23   3.644   5.394  -4.538
  155   2HH1  ARG  23          2HH1      ARG  23   1.969   5.595  -4.161
  156   1HH2  ARG  23          1HH2      ARG  23   2.561   5.839  -0.653
  157   2HH2  ARG  23          2HH2      ARG  23   1.295   5.874  -1.860
  158    H    CYS  24           H        CYS  24   3.138   1.842  -1.069
  159    HA   CYS  24           HA       CYS  24   2.403   0.400  -3.538
  160   1HB   CYS  24          1HB       CYS  24   1.786  -0.347  -1.083
  161   2HB   CYS  24          2HB       CYS  24   0.538   0.928  -1.156
  162    H    VAL  25           H        VAL  25   1.621   1.531  -5.297
  163    HA   VAL  25           HA       VAL  25   0.482   4.115  -4.988
  164    HB   VAL  25           HB       VAL  25  -0.239   4.047  -7.301
  165   1HG1  VAL  25          1HG1      VAL  25   2.081   3.832  -8.251
  166   2HG1  VAL  25          2HG1      VAL  25   2.622   3.059  -6.716
  167   3HG1  VAL  25          3HG1      VAL  25   2.051   4.777  -6.729
  168   1HG2  VAL  25          1HG2      VAL  25   0.481   2.096  -8.728
  169   2HG2  VAL  25          2HG2      VAL  25  -0.838   1.651  -7.616
  170   3HG2  VAL  25          3HG2      VAL  25   0.873   1.157  -7.254
  171    H    ASP  26           H        ASP  26  -0.827   0.970  -4.709
  172    HA   ASP  26           HA       ASP  26  -3.573   1.931  -5.019
  173   1HB   ASP  26          1HB       ASP  26  -2.460  -0.851  -4.399
  174   2HB   ASP  26          2HB       ASP  26  -4.193  -0.440  -4.114
  175    HD2  ASP  26           HD2      ASP  26  -2.418   0.972  -6.627
  176    H    VAL  27           H        VAL  27  -5.076   2.214  -3.549
  177    HA   VAL  27           HA       VAL  27  -4.150   2.697  -0.808
  178    HB   VAL  27           HB       VAL  27  -5.640   4.495  -0.707
  179   1HG1  VAL  27          1HG1      VAL  27  -4.868   5.910  -2.536
  180   2HG1  VAL  27          2HG1      VAL  27  -4.487   4.501  -3.574
  181   3HG1  VAL  27          3HG1      VAL  27  -3.531   4.801  -2.071
  182   1HG2  VAL  27          1HG2      VAL  27  -6.950   3.327  -3.247
  183   2HG2  VAL  27          2HG2      VAL  27  -7.182   5.017  -2.695
  184   3HG2  VAL  27          3HG2      VAL  27  -7.690   3.664  -1.625
  185    H    ARG  28           H        ARG  28  -5.910   2.585   0.836
  186    HA   ARG  28           HA       ARG  28  -7.483   0.113   0.375
  187   1HB   ARG  28          1HB       ARG  28  -6.055   1.312   2.773
  188   2HB   ARG  28          2HB       ARG  28  -7.216  -0.083   2.895
  189   1HG   ARG  28          1HG       ARG  28  -5.712  -1.526   1.675
  190   2HG   ARG  28          2HG       ARG  28  -4.648  -0.138   1.226
  191   1HD   ARG  28          1HD       ARG  28  -3.652  -1.403   3.192
  192   2HD   ARG  28          2HD       ARG  28  -4.108   0.304   3.562
  193    HE   ARG  28           HE       ARG  28  -5.858  -0.371   4.931
  194   1HH1  ARG  28          1HH1      ARG  28  -4.611  -3.352   3.323
  195   2HH1  ARG  28          2HH1      ARG  28  -5.561  -4.386   4.329
  196   1HH2  ARG  28          1HH2      ARG  28  -7.092  -1.819   6.208
  197   2HH2  ARG  28          2HH2      ARG  28  -6.958  -3.529   5.963
  198    H    GLU  29           H        GLU  29  -9.468  -0.058   1.422
  199    HA   GLU  29           HA       GLU  29 -11.220   2.115   1.661
  200   1HB   GLU  29          1HB       GLU  29 -11.228  -0.829   1.900
  201   2HB   GLU  29          2HB       GLU  29 -12.393  -0.028   3.001
  202   1HG   GLU  29          1HG       GLU  29 -13.317   1.304   1.039
  203   2HG   GLU  29          2HG       GLU  29 -12.237   0.359  -0.055
  204    HE2  GLU  29           HE2      GLU  29 -14.782   0.143   2.268
  205    H    SER  30           H        SER  30  -8.963   0.922   3.714
  206    HA   SER  30           HA       SER  30  -9.800   2.368   6.094
  207   1HB   SER  30          1HB       SER  30  -9.383  -0.729   6.048
  208   2HB   SER  30          2HB       SER  30  -9.654   0.232   7.542
  209    HG   SER  30           HG       SER  30 -11.571  -0.627   7.019
  210    H    CYS  31           H        CYS  31  -7.826   1.347   7.910
  211    HA   CYS  31           HA       CYS  31  -5.434   1.009   6.187
  212   1HB   CYS  31          1HB       CYS  31  -5.790   3.345   7.232
  213   2HB   CYS  31          2HB       CYS  31  -5.340   2.545   8.807
  214    H    HIS  32           H        HIS  32  -3.575  -0.107   7.280
  215    HA   HIS  32           HA       HIS  32  -4.171  -1.568   9.657
  216   1HB   HIS  32          1HB       HIS  32  -5.194  -3.064   8.002
  217   2HB   HIS  32          2HB       HIS  32  -3.645  -3.079   7.037
  218    HD1  HIS  32           HD1      HIS  32  -4.844  -3.756  10.577
  219    HD2  HIS  32           HD2      HIS  32  -2.427  -5.574   7.679
  220    HE1  HIS  32           HE1      HIS  32  -3.970  -5.852  11.587
  221    HE2  HIS  32           HE2      HIS  32  -2.490  -6.955   9.805
  222    H    SER  33           H        SER  33  -2.215  -2.711  10.356
  223    HA   SER  33           HA       SER  33  -0.115  -1.070  10.487
  224   1HB   SER  33          1HB       SER  33   0.040  -4.131  10.857
  225   2HB   SER  33          2HB       SER  33   0.993  -2.886  11.750
  226    HG   SER  33           HG       SER  33  -0.825  -3.737  12.899
  227    H    ALA  34           H        ALA  34   1.249  -0.415   8.857
  228    HA   ALA  34           HA       ALA  34   3.108  -2.403   8.011
  229   1HB   ALA  34          1HB       ALA  34   1.599  -2.571   6.128
  230   2HB   ALA  34          2HB       ALA  34   3.038  -1.657   5.567
  231   3HB   ALA  34          3HB       ALA  34   1.469  -0.803   5.953
  232    H    CYS  35           H        CYS  35   2.378   1.068   7.167
  233    HA   CYS  35           HA       CYS  35   4.980   1.799   8.255
  234   1HB   CYS  35          1HB       CYS  35   4.779   3.739   6.759
  235   2HB   CYS  35          2HB       CYS  35   4.585   2.172   5.887
  236    H    ASP  36           H        ASP  36   4.811   4.227   8.985
  237    HA   ASP  36           HA       ASP  36   2.766   4.201  11.109
  238   1HB   ASP  36          1HB       ASP  36   5.517   4.248  11.217
  239   2HB   ASP  36          2HB       ASP  36   5.243   6.008  11.114
  240    HD2  ASP  36           HD2      ASP  36   3.311   6.512  12.534
  241    H    LYS  37           H        LYS  37   2.840   5.488   8.155
  242    HA   LYS  37           HA       LYS  37   1.715   8.081   8.961
  243   1HB   LYS  37          1HB       LYS  37   4.189   8.028   8.160
  244   2HB   LYS  37          2HB       LYS  37   3.544   7.578   6.569
  245   1HG   LYS  37          1HG       LYS  37   2.204   9.705   6.530
  246   2HG   LYS  37          2HG       LYS  37   2.808  10.107   8.166
  247   1HD   LYS  37          1HD       LYS  37   5.142  10.255   7.340
  248   2HD   LYS  37          2HD       LYS  37   4.646   9.682   5.712
  249   1HE   LYS  37          1HE       LYS  37   3.241  11.765   5.412
  250   2HE   LYS  37          2HE       LYS  37   3.805  12.357   7.026
  251   1HZ   LYS  37          1HZ       LYS  37   5.040  13.248   5.153
  252   2HZ   LYS  37          2HZ       LYS  37   5.576  11.695   4.731
  253   3HZ   LYS  37          3HZ       LYS  37   6.036  12.374   6.218
  254    H    CYS  38           H        CYS  38  -0.263   6.589   8.756
  255    HA   CYS  38           HA       CYS  38  -1.140   6.249   6.015
  256   1HB   CYS  38          1HB       CYS  38  -1.458   4.684   8.068
  257   2HB   CYS  38          2HB       CYS  38  -2.774   5.808   8.560
  258    H    VAL  39           H        VAL  39  -1.902   7.989   4.878
  259    HA   VAL  39           HA       VAL  39  -3.326  10.133   6.319
  260    HB   VAL  39           HB       VAL  39  -1.615   9.981   3.812
  261   1HG1  VAL  39          1HG1      VAL  39  -1.758  12.500   3.871
  262   2HG1  VAL  39          2HG1      VAL  39  -2.965  12.381   5.206
  263   3HG1  VAL  39          3HG1      VAL  39  -3.361  11.733   3.554
  264   1HG2  VAL  39          1HG2      VAL  39  -0.048  11.482   5.116
  265   2HG2  VAL  39          2HG2      VAL  39  -0.208   9.838   5.845
  266   3HG2  VAL  39          3HG2      VAL  39  -1.088  11.245   6.571
  267    H    CYS  40           H        CYS  40  -5.467  10.637   5.270
  268    HA   CYS  40           HA       CYS  40  -6.195   8.713   3.173
  269   1HB   CYS  40          1HB       CYS  40  -6.119   7.614   5.380
  270   2HB   CYS  40          2HB       CYS  40  -7.328   8.784   5.990
  271    H    ALA  41           H        ALA  41  -7.342   9.546   1.758
  272    HA   ALA  41           HA       ALA  41  -8.536  12.145   2.087
  273   1HB   ALA  41          1HB       ALA  41  -9.209  11.961  -0.258
  274   2HB   ALA  41          2HB       ALA  41  -8.691  10.223  -0.280
  275   3HB   ALA  41          3HB       ALA  41  -7.475  11.532  -0.049
  276    H    TYR  42           H        TYR  42 -10.607  12.745   2.097
  277    HA   TYR  42           HA       TYR  42 -12.327  10.921   3.418
  278   1HB   TYR  42          1HB       TYR  42 -13.618  12.870   4.085
  279   2HB   TYR  42          2HB       TYR  42 -11.853  13.177   4.261
  280    HD1  TYR  42           HD1      TYR  42 -10.652  14.635   2.503
  281    HD2  TYR  42           HD2      TYR  42 -14.944  14.284   2.640
  282    HE1  TYR  42           HE1      TYR  42 -10.862  16.575   1.057
  283    HE2  TYR  42           HE2      TYR  42 -15.140  16.260   1.189
  284    HH   TYR  42           HH       TYR  42 -12.301  18.169   0.218
  285    H    SER  43           H        SER  43 -11.945  10.430   0.753
  286    HA   SER  43           HA       SER  43 -13.848  11.207  -1.073
  287   1HB   SER  43          1HB       SER  43 -12.219   8.644  -1.116
  288   2HB   SER  43          2HB       SER  43 -12.939   9.537  -2.560
  289    HG   SER  43           HG       SER  43 -10.716  10.020  -2.265
  290    H    ASN  44           H        ASN  44 -14.337   8.294  -2.074
  291    HA   ASN  44           HA       ASN  44 -16.636   7.607  -0.478
  292   1HB   ASN  44          1HB       ASN  44 -17.192   9.468  -2.113
  293   2HB   ASN  44          2HB       ASN  44 -16.643   8.443  -3.450
  294   1HD2  ASN  44          1HD2      ASN  44 -18.065   6.419  -3.895
  295   2HD2  ASN  44          2HD2      ASN  44 -19.732   6.520  -3.425
  296    HA   PRO  45           HA       PRO  45 -16.099   6.059   0.786
  297   1HB   PRO  45          1HB       PRO  45 -15.079   3.666   1.682
  298   2HB   PRO  45          2HB       PRO  45 -16.658   3.730   0.905
  299   1HG   PRO  45          1HG       PRO  45 -13.964   3.107  -0.442
  300   2HG   PRO  45          2HG       PRO  45 -15.438   2.072  -0.461
  301   1HD   PRO  45          1HD       PRO  45 -14.838   3.882  -2.482
  302   2HD   PRO  45          2HD       PRO  45 -16.562   3.587  -1.974
  303    HA   PRO  46           HA       PRO  46 -12.231   7.803   1.334
  304   1HB   PRO  46          1HB       PRO  46 -11.048   7.195   3.777
  305   2HB   PRO  46          2HB       PRO  46 -12.561   8.157   3.614
  306   1HG   PRO  46          1HG       PRO  46 -12.360   5.135   4.111
  307   2HG   PRO  46          2HG       PRO  46 -13.278   6.396   5.064
  308   1HD   PRO  46          1HD       PRO  46 -14.510   4.901   3.145
  309   2HD   PRO  46          2HD       PRO  46 -14.834   6.745   3.261
  310    H    GLN  47           H        GLN  47  -9.860   7.781   1.321
  311    HA   GLN  47           HA       GLN  47  -8.902   5.223   0.167
  312   1HB   GLN  47          1HB       GLN  47  -8.759   8.047  -0.984
  313   2HB   GLN  47          2HB       GLN  47  -7.971   6.608  -1.696
  314   1HG   GLN  47          1HG       GLN  47 -11.033   6.827  -1.263
  315   2HG   GLN  47          2HG       GLN  47 -10.217   7.371  -2.754
  316   1HE2  GLN  47          1HE2      GLN  47 -10.875   4.494  -0.739
  317   2HE2  GLN  47          2HE2      GLN  47 -10.649   3.347  -2.042
  318    H    CYS  48           H        CYS  48  -7.674   4.650   1.744
  319    HA   CYS  48           HA       CYS  48  -5.906   6.555   3.048
  320   1HB   CYS  48          1HB       CYS  48  -6.450   3.653   3.706
  321   2HB   CYS  48          2HB       CYS  48  -5.350   4.768   4.601
  322    H    GLN  49           H        GLN  49  -3.894   7.008   2.563
  323    HA   GLN  49           HA       GLN  49  -2.453   5.144   0.825
  324   1HB   GLN  49          1HB       GLN  49  -2.191   8.135   1.433
  325   2HB   GLN  49          2HB       GLN  49  -1.001   7.209   0.451
  326   1HG   GLN  49          1HG       GLN  49  -2.218   8.226  -1.229
  327   2HG   GLN  49          2HG       GLN  49  -2.957   6.599  -1.137
  328   1HE2  GLN  49          1HE2      GLN  49  -3.523   9.636   0.785
  329   2HE2  GLN  49          2HE2      GLN  49  -5.230   9.679   0.416
  330    H    CYS  50           H        CYS  50  -0.548   4.370   1.450
  331    HA   CYS  50           HA       CYS  50   0.624   5.224   4.055
  332   1HB   CYS  50          1HB       CYS  50   0.631   2.743   3.485
  333   2HB   CYS  50          2HB       CYS  50   1.512   3.123   1.985
  334    H    TYR  51           H        TYR  51   1.306   7.237   3.781
  335    HA   TYR  51           HA       TYR  51   2.443   8.365   1.473
  336   1HB   TYR  51          1HB       TYR  51   2.078   9.165   4.341
  337   2HB   TYR  51          2HB       TYR  51   3.549   9.852   3.626
  338    HD1  TYR  51           HD1      TYR  51   3.177  12.086   2.775
  339    HD2  TYR  51           HD2      TYR  51   0.031   9.131   2.378
  340    HE1  TYR  51           HE1      TYR  51   1.834  13.660   1.602
  341    HE2  TYR  51           HE2      TYR  51  -1.303  10.734   1.186
  342    HH   TYR  51           HH       TYR  51  -1.417  12.834   0.273
  343    H    ASP  52           H        ASP  52   3.949   6.671   4.017
  344    HA   ASP  52           HA       ASP  52   6.621   7.569   3.192
  345   1HB   ASP  52          1HB       ASP  52   5.672   7.464   5.665
  346   2HB   ASP  52          2HB       ASP  52   6.074   5.720   5.568
  347    HD2  ASP  52           HD2      ASP  52   8.767   7.914   6.888
  348    H    THR  53           H        THR  53   8.410   6.035   3.033
  349    HA   THR  53           HA       THR  53   7.757   3.989   1.157
  350    HB   THR  53           HB       THR  53  10.336   3.653   1.219
  351    HG1  THR  53           HG1      THR  53  10.750   4.717   3.170
  352   1HG2  THR  53          1HG2      THR  53   9.058   4.911  -0.548
  353   2HG2  THR  53          2HG2      THR  53  10.591   5.747  -0.133
  354   3HG2  THR  53          3HG2      THR  53   9.039   6.380   0.503
  355    H    HIS  54           H        HIS  54   8.869   1.780   1.273
  356    HA   HIS  54           HA       HIS  54   9.169   0.755   3.929
  357   1HB   HIS  54          1HB       HIS  54   6.625   0.545   2.778
  358   2HB   HIS  54          2HB       HIS  54   7.416  -0.869   2.012
  359    HD1  HIS  54           HD1      HIS  54   6.466  -2.724   3.016
  360    HD2  HIS  54           HD2      HIS  54   7.272   0.138   5.974
  361    HE1  HIS  54           HE1      HIS  54   5.776  -3.722   5.204
  362    HE2  HIS  54           HE2      HIS  54   6.231  -1.956   6.983
  363    H    LYS  55           H        LYS  55  10.005  -1.561   3.659
  364    HA   LYS  55           HA       LYS  55  11.418  -1.874   1.103
  365   1HB   LYS  55          1HB       LYS  55  13.266  -2.870   2.340
  366   2HB   LYS  55          2HB       LYS  55  12.966  -1.188   2.856
  367   1HG   LYS  55          1HG       LYS  55  11.956  -1.857   4.929
  368   2HG   LYS  55          2HG       LYS  55  11.918  -3.602   4.453
  369   1HD   LYS  55          1HD       LYS  55  14.520  -1.968   4.733
  370   2HD   LYS  55          2HD       LYS  55  13.753  -2.853   6.095
  371   1HE   LYS  55          1HE       LYS  55  13.927  -5.015   4.835
  372   2HE   LYS  55          2HE       LYS  55  14.738  -4.156   3.466
  373   1HZ   LYS  55          1HZ       LYS  55  16.315  -5.184   4.962
  374   2HZ   LYS  55          2HZ       LYS  55  15.725  -4.282   6.274
  375   3HZ   LYS  55          3HZ       LYS  55  16.485  -3.496   4.978
  376    H    PHE  56           H        PHE  56   8.764  -2.826   1.722
  377    HA   PHE  56           HA       PHE  56   9.244  -5.629   1.173
  378   1HB   PHE  56          1HB       PHE  56   8.774  -5.061   3.816
  379   2HB   PHE  56          2HB       PHE  56   7.071  -5.146   3.266
  380    HD1  PHE  56           HD1      PHE  56   6.276  -7.307   2.140
  381    HD2  PHE  56           HD2      PHE  56  10.158  -6.973   3.971
  382    HE1  PHE  56           HE1      PHE  56   6.396  -9.750   2.314
  383    HE2  PHE  56           HE2      PHE  56  10.278  -9.420   4.151
  384    HZ   PHE  56           HZ       PHE  56   8.395 -10.833   3.339
  385    H    CYS  57           H        CYS  57   7.883  -6.386  -0.309
  386    HA   CYS  57           HA       CYS  57   5.420  -4.900  -0.954
  387   1HB   CYS  57          1HB       CYS  57   7.189  -4.867  -2.780
  388   2HB   CYS  57          2HB       CYS  57   7.167  -6.651  -2.768
  389    H    TYR  58           H        TYR  58   3.608  -6.006  -0.680
  390    HA   TYR  58           HA       TYR  58   3.776  -8.844   0.157
  391   1HB   TYR  58          1HB       TYR  58   1.828  -6.539   0.742
  392   2HB   TYR  58          2HB       TYR  58   1.403  -8.232   1.094
  393    HD1  TYR  58           HD1      TYR  58   2.934  -9.637   2.571
  394    HD2  TYR  58           HD2      TYR  58   3.186  -5.335   2.402
  395    HE1  TYR  58           HE1      TYR  58   4.109  -9.641   4.666
  396    HE2  TYR  58           HE2      TYR  58   4.365  -5.344   4.537
  397    HH   TYR  58           HH       TYR  58   5.019  -8.398   6.316
  398    H    LYS  59           H        LYS  59   1.887 -10.142  -0.238
  399    HA   LYS  59           HA       LYS  59   0.913 -10.449  -2.808
  400   1HB   LYS  59          1HB       LYS  59  -0.309 -11.146  -0.106
  401   2HB   LYS  59          2HB       LYS  59  -0.943 -11.773  -1.669
  402   1HG   LYS  59          1HG       LYS  59   1.168 -13.019  -2.073
  403   2HG   LYS  59          2HG       LYS  59   1.923 -12.285  -0.639
  404   1HD   LYS  59          1HD       LYS  59  -0.077 -13.277   0.732
  405   2HD   LYS  59          2HD       LYS  59  -0.317 -14.361  -0.676
  406   1HE   LYS  59          1HE       LYS  59   2.288 -13.997   0.976
  407   2HE   LYS  59          2HE       LYS  59   1.140 -15.391   1.107
  408   1HZ   LYS  59          1HZ       LYS  59   1.627 -15.949  -1.165
  409   2HZ   LYS  59          2HZ       LYS  59   3.052 -15.883  -0.243
  410   3HZ   LYS  59          3HZ       LYS  59   2.678 -14.619  -1.314
  411    H    ALA  60           H        ALA  60  -1.328 -10.246  -3.626
  412    HA   ALA  60           HA       ALA  60  -2.261  -7.584  -3.267
  413   1HB   ALA  60          1HB       ALA  60  -3.816  -8.194  -5.121
  414   2HB   ALA  60          2HB       ALA  60  -3.340  -9.937  -4.911
  415   3HB   ALA  60          3HB       ALA  60  -2.130  -8.735  -5.464
  416    H    CYS  61           H        CYS  61  -4.293  -6.857  -2.841
  417    HA   CYS  61           HA       CYS  61  -5.325  -7.882  -0.380
  418   1HB   CYS  61          1HB       CYS  61  -6.176  -5.477  -2.108
  419   2HB   CYS  61          2HB       CYS  61  -6.723  -5.754  -0.417
  420    H    HIS  62           H        HIS  62  -5.992  -9.800  -2.020
  421    HA   HIS  62           HA       HIS  62  -8.730  -9.416  -3.017
  422   1HB   HIS  62          1HB       HIS  62  -7.001 -11.923  -3.051
  423   2HB   HIS  62          2HB       HIS  62  -8.649 -11.770  -3.729
  424    HD1  HIS  62           HD1      HIS  62  -7.826 -12.279  -6.057
  425    HD2  HIS  62           HD2      HIS  62  -6.214  -8.733  -4.495
  426    HE1  HIS  62           HE1      HIS  62  -6.804 -11.028  -7.973
  427    HE2  HIS  62           HE2      HIS  62  -5.819  -8.896  -7.013
  428    H    ASN  63           H        ASN  63  -9.651  -8.853  -0.886
  429    HA   ASN  63           HA       ASN  63 -10.219 -10.945   0.961
  430   1HB   ASN  63          1HB       ASN  63 -12.169  -9.446   1.672
  431   2HB   ASN  63          2HB       ASN  63 -10.525  -8.879   1.997
  432   1HD2  ASN  63          1HD2      ASN  63  -9.746  -6.963   0.764
  433   2HD2  ASN  63          2HD2      ASN  63 -10.869  -6.031  -0.176
  434    H    SER  64           H        SER  64 -12.144  -9.306  -1.411
  435    HA   SER  64           HA       SER  64 -14.085 -11.534  -1.465
  436   1HB   SER  64          1HB       SER  64 -14.191  -8.729  -2.737
  437   2HB   SER  64          2HB       SER  64 -15.543  -9.936  -2.701
  438    HG   SER  64           HG       SER  64 -14.281  -8.587  -0.508
  439    H    GLU  65           H        GLU  65 -12.911 -13.079  -2.738
  440    HA   GLU  65           HA       GLU  65 -11.606 -12.508  -5.132
  441   1HB   GLU  65          1HB       GLU  65 -11.568 -14.745  -3.790
  442   2HB   GLU  65          2HB       GLU  65 -13.088 -15.148  -4.624
  443   1HG   GLU  65          1HG       GLU  65 -11.327 -16.194  -5.897
  444   2HG   GLU  65          2HG       GLU  65 -11.824 -14.777  -6.879
  445    HE2  GLU  65           HE2      GLU  65  -9.687 -15.785  -4.416
  446    H    ILE  66           H        ILE  66 -14.987 -13.255  -4.566
  447    HA   ILE  66           HA       ILE  66 -15.873 -11.965  -6.916
  448    HB   ILE  66           HB       ILE  66 -17.331 -13.912  -7.606
  449   1HG1  ILE  66          1HG1      ILE  66 -15.284 -15.677  -6.126
  450   2HG1  ILE  66          2HG1      ILE  66 -16.903 -15.278  -5.459
  451   1HG2  ILE  66          1HG2      ILE  66 -14.320 -14.410  -8.034
  452   2HG2  ILE  66          2HG2      ILE  66 -15.293 -13.174  -8.907
  453   3HG2  ILE  66          3HG2      ILE  66 -15.649 -14.925  -9.117
  454   1HD1  ILE  66          1HD1      ILE  66 -16.922 -17.496  -6.550
  455   2HD1  ILE  66          2HD1      ILE  66 -16.404 -16.783  -8.115
  456   3HD1  ILE  66          3HD1      ILE  66 -18.018 -16.368  -7.407
  457    H    GLU  67           H        GLU  67 -18.383 -12.078  -6.843
  458    HA   GLU  67           HA       GLU  67 -19.281 -12.164  -4.050
  459   1HB   GLU  67          1HB       GLU  67 -21.155 -10.873  -4.642
  460   2HB   GLU  67          2HB       GLU  67 -19.734 -10.056  -5.372
  461   1HG   GLU  67          1HG       GLU  67 -21.881 -11.762  -6.840
  462   2HG   GLU  67          2HG       GLU  67 -21.707  -9.977  -6.870
  463    HE2  GLU  67           HE2      GLU  67 -20.222 -12.970  -7.687
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1  -6.614 -23.087   6.550
    2   2H    GLY   1          2H        GLY   1  -5.193 -22.749   5.678
    3   3H    GLY   1          3H        GLY   1  -6.713 -22.608   4.927
    4   1HA   GLY   1          1HA       GLY   1  -7.310 -20.884   6.494
    5   2HA   GLY   1          2HA       GLY   1  -5.602 -20.953   7.085
    6    H    ASP   2           H        ASP   2  -7.193 -18.747   5.823
    7    HA   ASP   2           HA       ASP   2  -5.261 -17.840   3.819
    8   1HB   ASP   2          1HB       ASP   2  -8.302 -18.209   3.229
    9   2HB   ASP   2          2HB       ASP   2  -7.141 -17.320   2.170
   10    HD2  ASP   2           HD2      ASP   2  -7.476 -21.170   1.761
   11    H    ASP   3           H        ASP   3  -5.457 -16.925   6.292
   12    HA   ASP   3           HA       ASP   3  -6.505 -14.310   5.940
   13   1HB   ASP   3          1HB       ASP   3  -8.509 -15.682   6.763
   14   2HB   ASP   3          2HB       ASP   3  -7.606 -15.982   8.294
   15    HD2  ASP   3           HD2      ASP   3  -9.754 -13.064   8.614
   16    H    VAL   4           H        VAL   4  -4.693 -13.291   6.358
   17    HA   VAL   4           HA       VAL   4  -3.173 -13.873   8.819
   18    HB   VAL   4           HB       VAL   4  -2.047 -12.655   6.253
   19   1HG1  VAL   4          1HG1      VAL   4  -0.765 -14.148   8.656
   20   2HG1  VAL   4          2HG1      VAL   4  -0.611 -12.377   8.299
   21   3HG1  VAL   4          3HG1      VAL   4   0.119 -13.577   7.201
   22   1HG2  VAL   4          1HG2      VAL   4  -2.163 -15.659   6.976
   23   2HG2  VAL   4          2HG2      VAL   4  -1.065 -14.944   5.750
   24   3HG2  VAL   4          3HG2      VAL   4  -2.835 -14.858   5.500
   25    H    LYS   5           H        LYS   5  -2.303 -11.766   9.793
   26    HA   LYS   5           HA       LYS   5  -3.947  -9.473   9.002
   27   1HB   LYS   5          1HB       LYS   5  -2.294 -10.051  11.510
   28   2HB   LYS   5          2HB       LYS   5  -3.267  -8.574  11.218
   29   1HG   LYS   5          1HG       LYS   5  -5.318 -10.103  10.934
   30   2HG   LYS   5          2HG       LYS   5  -4.318 -11.456  11.540
   31   1HD   LYS   5          1HD       LYS   5  -3.917 -10.198  13.685
   32   2HD   LYS   5          2HD       LYS   5  -4.869  -8.809  13.045
   33   1HE   LYS   5          1HE       LYS   5  -6.909 -10.320  12.868
   34   2HE   LYS   5          2HE       LYS   5  -5.947 -11.655  13.622
   35   1HZ   LYS   5          1HZ       LYS   5  -6.522  -9.005  14.841
   36   2HZ   LYS   5          2HZ       LYS   5  -5.639 -10.269  15.555
   37   3HZ   LYS   5          3HZ       LYS   5  -7.290 -10.477  15.208
   38    H    SER   6           H        SER   6  -1.622 -10.544   7.598
   39    HA   SER   6           HA       SER   6   0.461  -8.635   7.547
   40   1HB   SER   6          1HB       SER   6  -0.671 -10.377   5.285
   41   2HB   SER   6          2HB       SER   6   0.789  -9.344   5.096
   42    HG   SER   6           HG       SER   6   1.246 -11.547   5.713
   43    H    ALA   7           H        ALA   7   0.931  -6.919   5.990
   44    HA   ALA   7           HA       ALA   7  -1.427  -5.438   5.072
   45   1HB   ALA   7          1HB       ALA   7   0.574  -4.206   5.995
   46   2HB   ALA   7          2HB       ALA   7   0.305  -3.780   4.262
   47   3HB   ALA   7          3HB       ALA   7   1.595  -4.952   4.731
   48    H    CYS   8           H        CYS   8  -1.495  -4.762   2.659
   49    HA   CYS   8           HA       CYS   8  -0.578  -6.964   0.933
   50   1HB   CYS   8          1HB       CYS   8  -2.791  -7.253   0.015
   51   2HB   CYS   8          2HB       CYS   8  -2.870  -7.484   1.788
   52    H    CYS   9           H        CYS   9  -0.727  -6.431  -1.456
   53    HA   CYS   9           HA       CYS   9  -1.269  -3.684  -2.163
   54   1HB   CYS   9          1HB       CYS   9   1.402  -4.438  -1.310
   55   2HB   CYS   9          2HB       CYS   9   1.416  -4.353  -3.100
   56    H    ASP  10           H        ASP  10  -1.859  -3.638  -4.438
   57    HA   ASP  10           HA       ASP  10  -1.446  -6.107  -5.942
   58   1HB   ASP  10          1HB       ASP  10  -2.961  -3.502  -6.488
   59   2HB   ASP  10          2HB       ASP  10  -2.679  -4.690  -7.751
   60    HD2  ASP  10           HD2      ASP  10  -5.399  -6.415  -6.847
   61    H    THR  11           H        THR  11  -0.255  -2.721  -6.070
   62    HA   THR  11           HA       THR  11   1.702  -3.384  -8.130
   63    HB   THR  11           HB       THR  11  -0.730  -1.510  -8.361
   64    HG1  THR  11           HG1      THR  11  -1.333  -2.851  -9.992
   65   1HG2  THR  11          1HG2      THR  11   1.224  -0.329  -9.387
   66   2HG2  THR  11          2HG2      THR  11   0.146  -0.937 -10.679
   67   3HG2  THR  11          3HG2      THR  11   1.669  -1.822 -10.309
   68    H    CYS  12           H        CYS  12   3.412  -1.949  -8.042
   69    HA   CYS  12           HA       CYS  12   3.223   0.315  -6.234
   70   1HB   CYS  12          1HB       CYS  12   4.765  -0.630  -4.670
   71   2HB   CYS  12          2HB       CYS  12   3.480  -1.873  -4.978
   72    H    LEU  13           H        LEU  13   4.728   1.748  -6.224
   73    HA   LEU  13           HA       LEU  13   6.449   1.898  -8.581
   74   1HB   LEU  13          1HB       LEU  13   5.037   3.799  -8.157
   75   2HB   LEU  13          2HB       LEU  13   5.499   3.882  -6.438
   76    HG   LEU  13           HG       LEU  13   7.644   4.203  -8.612
   77   1HD1  LEU  13          1HD1      LEU  13   5.762   5.644  -9.343
   78   2HD1  LEU  13          2HD1      LEU  13   7.135   6.644  -8.746
   79   3HD1  LEU  13          3HD1      LEU  13   5.684   6.399  -7.707
   80   1HD2  LEU  13          1HD2      LEU  13   8.402   4.236  -6.186
   81   2HD2  LEU  13          2HD2      LEU  13   7.230   5.565  -5.855
   82   3HD2  LEU  13          3HD2      LEU  13   8.617   5.838  -6.970
   83    H    CYS  14           H        CYS  14   8.638   1.736  -8.414
   84    HA   CYS  14           HA       CYS  14   9.850   1.630  -5.763
   85   1HB   CYS  14          1HB       CYS  14   9.924  -0.553  -7.893
   86   2HB   CYS  14          2HB       CYS  14  11.160  -0.423  -6.631
   87    H    THR  15           H        THR  15  11.688   2.571  -5.648
   88    HA   THR  15           HA       THR  15  12.670   3.860  -8.059
   89    HB   THR  15           HB       THR  15  14.219   5.063  -6.654
   90    HG1  THR  15           HG1      THR  15  13.991   4.890  -4.427
   91   1HG2  THR  15          1HG2      THR  15  11.311   4.983  -5.569
   92   2HG2  THR  15          2HG2      THR  15  11.851   5.819  -7.073
   93   3HG2  THR  15          3HG2      THR  15  12.457   6.371  -5.466
   94    H    ARG  16           H        ARG  16  14.642   3.699  -8.984
   95    HA   ARG  16           HA       ARG  16  16.322   1.387  -8.389
   96   1HB   ARG  16          1HB       ARG  16  16.419   3.488 -10.610
   97   2HB   ARG  16          2HB       ARG  16  17.633   2.172 -10.405
   98   1HG   ARG  16          1HG       ARG  16  15.927   0.451 -10.599
   99   2HG   ARG  16          2HG       ARG  16  14.626   1.679 -10.802
  100   1HD   ARG  16          1HD       ARG  16  15.655   2.465 -12.927
  101   2HD   ARG  16          2HD       ARG  16  17.025   1.302 -12.741
  102    HE   ARG  16           HE       ARG  16  14.162   0.680 -13.358
  103   1HH1  ARG  16          1HH1      ARG  16  17.439  -0.627 -12.676
  104   2HH1  ARG  16          2HH1      ARG  16  17.033  -2.217 -13.241
  105   1HH2  ARG  16          1HH2      ARG  16  13.700  -1.421 -14.120
  106   2HH2  ARG  16          2HH2      ARG  16  14.899  -2.671 -14.071
  107    H    SER  17           H        SER  17  15.968   3.665  -6.573
  108    HA   SER  17           HA       SER  17  18.413   5.115  -6.321
  109   1HB   SER  17          1HB       SER  17  16.174   5.843  -5.350
  110   2HB   SER  17          2HB       SER  17  16.443   4.637  -4.044
  111    HG   SER  17           HG       SER  17  17.125   6.739  -3.500
  112    H    GLN  18           H        GLN  18  18.994   4.886  -3.656
  113    HA   GLN  18           HA       GLN  18  20.251   2.269  -3.211
  114   1HB   GLN  18          1HB       GLN  18  21.695   4.955  -3.629
  115   2HB   GLN  18          2HB       GLN  18  22.448   3.548  -2.835
  116   1HG   GLN  18          1HG       GLN  18  23.374   3.434  -4.958
  117   2HG   GLN  18          2HG       GLN  18  22.076   2.190  -5.003
  118   1HE2  GLN  18          1HE2      GLN  18  21.913   5.792  -5.414
  119   2HE2  GLN  18          2HE2      GLN  18  21.142   5.725  -6.982
  120    HA   PRO  19           HA       PRO  19  19.558   1.132  -1.630
  121   1HB   PRO  19          1HB       PRO  19  17.947   0.545   0.532
  122   2HB   PRO  19          2HB       PRO  19  19.772   0.633   0.660
  123   1HG   PRO  19          1HG       PRO  19  17.731   2.829   1.328
  124   2HG   PRO  19          2HG       PRO  19  19.101   2.216   2.360
  125   1HD   PRO  19          1HD       PRO  19  19.284   4.479   0.728
  126   2HD   PRO  19          2HD       PRO  19  20.719   3.393   1.030
  127    HA   PRO  20           HA       PRO  20  15.791   2.410  -3.564
  128   1HB   PRO  20          1HB       PRO  20  14.689   0.021  -4.413
  129   2HB   PRO  20          2HB       PRO  20  16.238   0.654  -5.093
  130   1HG   PRO  20          1HG       PRO  20  15.899  -1.357  -2.804
  131   2HG   PRO  20          2HG       PRO  20  16.892  -1.563  -4.305
  132   1HD   PRO  20          1HD       PRO  20  17.983  -0.687  -1.937
  133   2HD   PRO  20          2HD       PRO  20  18.499   0.083  -3.522
  134    H    THR  21           H        THR  21  13.449   2.248  -3.578
  135    HA   THR  21           HA       THR  21  12.192   1.427  -1.031
  136    HB   THR  21           HB       THR  21  11.385   3.908  -0.828
  137    HG1  THR  21           HG1      THR  21  12.572   4.174  -2.990
  138   1HG2  THR  21          1HG2      THR  21  13.340   4.672   0.448
  139   2HG2  THR  21          2HG2      THR  21  14.387   3.435  -0.328
  140   3HG2  THR  21          3HG2      THR  21  13.060   2.919   0.780
  141    H    CYS  22           H        CYS  22   9.873   1.757  -1.089
  142    HA   CYS  22           HA       CYS  22   8.791   2.229  -3.777
  143   1HB   CYS  22          1HB       CYS  22   8.325  -0.289  -2.034
  144   2HB   CYS  22          2HB       CYS  22   7.550  -0.002  -3.589
  145    H    ARG  23           H        ARG  23   6.311   1.816  -3.616
  146    HA   ARG  23           HA       ARG  23   5.044   2.225  -1.128
  147   1HB   ARG  23          1HB       ARG  23   6.185   4.544  -1.684
  148   2HB   ARG  23          2HB       ARG  23   4.891   4.728  -2.887
  149   1HG   ARG  23          1HG       ARG  23   4.268   4.083   0.071
  150   2HG   ARG  23          2HG       ARG  23   4.754   5.710  -0.383
  151   1HD   ARG  23          1HD       ARG  23   2.339   4.373  -1.746
  152   2HD   ARG  23          2HD       ARG  23   2.244   5.443  -0.280
  153    HE   ARG  23           HE       ARG  23   3.800   6.910  -1.972
  154   1HH1  ARG  23          1HH1      ARG  23   0.577   5.397  -2.597
  155   2HH1  ARG  23          2HH1      ARG  23   0.119   6.647  -3.676
  156   1HH2  ARG  23          1HH2      ARG  23   3.214   8.401  -3.316
  157   2HH2  ARG  23          2HH2      ARG  23   1.662   8.485  -4.118
  158    H    CYS  24           H        CYS  24   2.911   2.107  -1.269
  159    HA   CYS  24           HA       CYS  24   1.799   0.376  -3.090
  160   1HB   CYS  24          1HB       CYS  24   0.918   1.998  -0.844
  161   2HB   CYS  24          2HB       CYS  24  -0.336   1.526  -2.014
  162    H    VAL  25           H        VAL  25   1.189   1.321  -5.521
  163    HA   VAL  25           HA       VAL  25   0.505   4.070  -5.637
  164    HB   VAL  25           HB       VAL  25   0.002   3.896  -7.920
  165   1HG1  VAL  25          1HG1      VAL  25   2.225   3.138  -8.685
  166   2HG1  VAL  25          2HG1      VAL  25   2.436   2.140  -7.205
  167   3HG1  VAL  25          3HG1      VAL  25   2.389   3.940  -7.074
  168   1HG2  VAL  25          1HG2      VAL  25   0.142   1.661  -9.118
  169   2HG2  VAL  25          2HG2      VAL  25  -1.278   1.769  -8.021
  170   3HG2  VAL  25          3HG2      VAL  25   0.178   0.836  -7.523
  171    H    ASP  26           H        ASP  26  -1.251   1.382  -4.801
  172    HA   ASP  26           HA       ASP  26  -3.836   2.283  -5.772
  173   1HB   ASP  26          1HB       ASP  26  -3.353   0.008  -3.757
  174   2HB   ASP  26          2HB       ASP  26  -4.726   0.179  -4.900
  175    HD2  ASP  26           HD2      ASP  26  -2.149  -1.313  -4.238
  176    H    VAL  27           H        VAL  27  -5.712   2.689  -4.410
  177    HA   VAL  27           HA       VAL  27  -5.091   3.441  -1.654
  178    HB   VAL  27           HB       VAL  27  -7.342   4.108  -1.399
  179   1HG1  VAL  27          1HG1      VAL  27  -7.228   6.054  -3.016
  180   2HG1  VAL  27          2HG1      VAL  27  -5.937   5.193  -3.923
  181   3HG1  VAL  27          3HG1      VAL  27  -5.645   5.716  -2.226
  182   1HG2  VAL  27          1HG2      VAL  27  -8.481   2.506  -2.962
  183   2HG2  VAL  27          2HG2      VAL  27  -7.770   3.384  -4.371
  184   3HG2  VAL  27          3HG2      VAL  27  -8.918   4.220  -3.269
  185    H    ARG  28           H        ARG  28  -5.778   2.500   0.105
  186    HA   ARG  28           HA       ARG  28  -7.226  -0.062  -0.108
  187   1HB   ARG  28          1HB       ARG  28  -6.108  -0.775   1.987
  188   2HB   ARG  28          2HB       ARG  28  -4.997  -0.624   0.615
  189   1HG   ARG  28          1HG       ARG  28  -3.663   0.789   1.751
  190   2HG   ARG  28          2HG       ARG  28  -5.044   1.916   2.102
  191   1HD   ARG  28          1HD       ARG  28  -4.085   1.158   4.226
  192   2HD   ARG  28          2HD       ARG  28  -5.766   0.500   3.955
  193    HE   ARG  28           HE       ARG  28  -3.590  -1.225   2.962
  194   1HH1  ARG  28          1HH1      ARG  28  -5.600  -0.458   5.825
  195   2HH1  ARG  28          2HH1      ARG  28  -5.495  -2.070   6.451
  196   1HH2  ARG  28          1HH2      ARG  28  -3.483  -3.215   3.749
  197   2HH2  ARG  28          2HH2      ARG  28  -4.208  -3.710   5.270
  198    H    GLU  29           H        GLU  29  -8.371  -0.587   1.997
  199    HA   GLU  29           HA       GLU  29 -10.439   1.240   2.282
  200   1HB   GLU  29          1HB       GLU  29  -9.559  -1.246   3.774
  201   2HB   GLU  29          2HB       GLU  29 -11.047  -0.353   4.246
  202   1HG   GLU  29          1HG       GLU  29 -11.873  -0.584   1.804
  203   2HG   GLU  29          2HG       GLU  29 -10.488  -1.696   1.510
  204    HE2  GLU  29           HE2      GLU  29 -13.656  -2.860   3.684
  205    H    SER  30           H        SER  30  -7.835   0.566   4.511
  206    HA   SER  30           HA       SER  30  -8.571   2.977   6.064
  207   1HB   SER  30          1HB       SER  30  -8.562   0.127   7.283
  208   2HB   SER  30          2HB       SER  30  -8.751   1.656   8.248
  209    HG   SER  30           HG       SER  30 -10.690   0.661   7.831
  210    H    CYS  31           H        CYS  31  -6.814   1.043   8.203
  211    HA   CYS  31           HA       CYS  31  -4.245   1.825   7.105
  212   1HB   CYS  31          1HB       CYS  31  -5.123   3.712   8.584
  213   2HB   CYS  31          2HB       CYS  31  -5.250   2.500   9.940
  214    H    HIS  32           H        HIS  32  -2.516   0.753   8.617
  215    HA   HIS  32           HA       HIS  32  -3.447  -1.816   9.660
  216   1HB   HIS  32          1HB       HIS  32  -2.852  -2.080   7.199
  217   2HB   HIS  32          2HB       HIS  32  -1.165  -1.521   7.617
  218    HD1  HIS  32           HD1      HIS  32  -3.762  -4.124   8.368
  219    HD2  HIS  32           HD2      HIS  32   0.416  -3.821   8.446
  220    HE1  HIS  32           HE1      HIS  32  -2.890  -6.364   8.953
  221    HE2  HIS  32           HE2      HIS  32  -0.352  -6.169   9.026
  222    H    SER  33           H        SER  33  -1.383  -2.851  10.727
  223    HA   SER  33           HA       SER  33  -0.165  -0.895  12.373
  224   1HB   SER  33          1HB       SER  33   0.472  -3.880  12.004
  225   2HB   SER  33          2HB       SER  33   1.213  -2.872  13.295
  226    HG   SER  33           HG       SER  33  -0.804  -4.093  13.776
  227    H    ALA  34           H        ALA  34   1.501  -3.075   9.961
  228    HA   ALA  34           HA       ALA  34   3.910  -2.029  10.095
  229   1HB   ALA  34          1HB       ALA  34   4.311  -2.899   7.800
  230   2HB   ALA  34          2HB       ALA  34   2.531  -2.926   7.478
  231   3HB   ALA  34          3HB       ALA  34   3.259  -4.013   8.717
  232    H    CYS  35           H        CYS  35   1.327  -0.483   8.322
  233    HA   CYS  35           HA       CYS  35   3.146   1.713   7.513
  234   1HB   CYS  35          1HB       CYS  35   1.739   0.890   5.688
  235   2HB   CYS  35          2HB       CYS  35   0.251   1.190   6.698
  236    H    ASP  36           H        ASP  36   3.495   2.560   9.601
  237    HA   ASP  36           HA       ASP  36   1.301   3.197  11.327
  238   1HB   ASP  36          1HB       ASP  36   3.176   4.106  12.788
  239   2HB   ASP  36          2HB       ASP  36   3.418   2.419  12.224
  240    HD2  ASP  36           HD2      ASP  36   4.805   5.359  12.420
  241    H    LYS  37           H        LYS  37   2.301   4.686   8.592
  242    HA   LYS  37           HA       LYS  37   1.380   7.334   9.443
  243   1HB   LYS  37          1HB       LYS  37   2.956   8.338   7.820
  244   2HB   LYS  37          2HB       LYS  37   3.777   7.537   9.140
  245   1HG   LYS  37          1HG       LYS  37   3.355   5.939   6.595
  246   2HG   LYS  37          2HG       LYS  37   4.558   7.255   6.614
  247   1HD   LYS  37          1HD       LYS  37   5.878   6.277   8.351
  248   2HD   LYS  37          2HD       LYS  37   4.598   5.118   8.806
  249   1HE   LYS  37          1HE       LYS  37   4.896   3.841   6.699
  250   2HE   LYS  37          2HE       LYS  37   6.151   5.018   6.134
  251   1HZ   LYS  37          1HZ       LYS  37   7.503   4.428   8.008
  252   2HZ   LYS  37          2HZ       LYS  37   7.087   3.034   7.137
  253   3HZ   LYS  37          3HZ       LYS  37   6.315   3.380   8.611
  254    H    CYS  38           H        CYS  38  -0.708   6.177   8.864
  255    HA   CYS  38           HA       CYS  38  -1.248   5.971   6.025
  256   1HB   CYS  38          1HB       CYS  38  -2.777   5.822   8.661
  257   2HB   CYS  38          2HB       CYS  38  -3.627   5.572   7.084
  258    H    VAL  39           H        VAL  39  -2.159   7.491   4.713
  259    HA   VAL  39           HA       VAL  39  -3.421   9.811   5.944
  260    HB   VAL  39           HB       VAL  39  -1.248  10.133   5.058
  261   1HG1  VAL  39          1HG1      VAL  39  -1.096   8.548   3.234
  262   2HG1  VAL  39          2HG1      VAL  39  -0.741  10.245   2.726
  263   3HG1  VAL  39          3HG1      VAL  39  -2.326   9.507   2.284
  264   1HG2  VAL  39          1HG2      VAL  39  -2.983  11.947   5.113
  265   2HG2  VAL  39          2HG2      VAL  39  -3.464  11.499   3.414
  266   3HG2  VAL  39          3HG2      VAL  39  -1.800  12.132   3.747
  267    H    CYS  40           H        CYS  40  -5.631   9.333   5.879
  268    HA   CYS  40           HA       CYS  40  -6.733   8.096   3.507
  269   1HB   CYS  40          1HB       CYS  40  -7.956   8.967   6.116
  270   2HB   CYS  40          2HB       CYS  40  -8.853   8.222   4.793
  271    H    ALA  41           H        ALA  41  -7.764   8.948   1.936
  272    HA   ALA  41           HA       ALA  41  -8.721  11.669   1.888
  273   1HB   ALA  41          1HB       ALA  41  -9.693  11.099  -0.269
  274   2HB   ALA  41          2HB       ALA  41  -9.117   9.384  -0.081
  275   3HB   ALA  41          3HB       ALA  41  -7.923  10.738  -0.230
  276    H    TYR  42           H        TYR  42 -10.701  12.318   2.452
  277    HA   TYR  42           HA       TYR  42 -12.694  10.403   3.276
  278   1HB   TYR  42          1HB       TYR  42 -14.042  12.427   3.836
  279   2HB   TYR  42          2HB       TYR  42 -12.447  12.266   4.642
  280    HD1  TYR  42           HD1      TYR  42 -10.608  13.866   4.119
  281    HD2  TYR  42           HD2      TYR  42 -14.393  14.140   2.072
  282    HE1  TYR  42           HE1      TYR  42  -9.971  16.055   3.191
  283    HE2  TYR  42           HE2      TYR  42 -13.715  16.256   1.086
  284    HH   TYR  42           HH       TYR  42 -12.129  17.827   0.896
  285    H    SER  43           H        SER  43 -12.553   9.551   0.978
  286    HA   SER  43           HA       SER  43 -14.448  10.505  -0.910
  287   1HB   SER  43          1HB       SER  43 -13.269   7.745  -0.564
  288   2HB   SER  43          2HB       SER  43 -14.180   8.338  -2.029
  289    HG   SER  43           HG       SER  43 -11.720   8.495  -1.922
  290    H    ASN  44           H        ASN  44 -15.746   7.846  -1.295
  291    HA   ASN  44           HA       ASN  44 -17.407   7.337   0.961
  292   1HB   ASN  44          1HB       ASN  44 -18.694   8.880  -0.525
  293   2HB   ASN  44          2HB       ASN  44 -18.387   7.820  -1.911
  294   1HD2  ASN  44          1HD2      ASN  44 -19.241   5.438  -1.555
  295   2HD2  ASN  44          2HD2      ASN  44 -20.742   5.255  -0.732
  296    HA   PRO  45           HA       PRO  45 -16.802   5.850   2.164
  297   1HB   PRO  45          1HB       PRO  45 -15.546   3.597   3.072
  298   2HB   PRO  45          2HB       PRO  45 -17.221   3.516   2.515
  299   1HG   PRO  45          1HG       PRO  45 -14.697   2.850   0.889
  300   2HG   PRO  45          2HG       PRO  45 -16.152   1.814   1.107
  301   1HD   PRO  45          1HD       PRO  45 -15.767   3.540  -1.075
  302   2HD   PRO  45          2HD       PRO  45 -17.430   3.142  -0.436
  303    HA   PRO  46           HA       PRO  46 -12.756   7.537   1.991
  304   1HB   PRO  46          1HB       PRO  46 -11.519   7.140   4.462
  305   2HB   PRO  46          2HB       PRO  46 -12.891   8.281   4.207
  306   1HG   PRO  46          1HG       PRO  46 -13.098   5.369   5.138
  307   2HG   PRO  46          2HG       PRO  46 -13.786   6.868   5.919
  308   1HD   PRO  46          1HD       PRO  46 -15.302   5.296   4.303
  309   2HD   PRO  46          2HD       PRO  46 -15.361   7.162   4.098
  310    H    GLN  47           H        GLN  47 -10.462   7.174   1.651
  311    HA   GLN  47           HA       GLN  47  -9.651   4.413   1.425
  312   1HB   GLN  47          1HB       GLN  47 -10.314   6.342  -0.876
  313   2HB   GLN  47          2HB       GLN  47  -9.222   4.982  -1.179
  314   1HG   GLN  47          1HG       GLN  47 -12.113   4.605  -0.134
  315   2HG   GLN  47          2HG       GLN  47 -11.741   4.804  -1.870
  316   1HE2  GLN  47          1HE2      GLN  47  -9.322   2.799  -0.182
  317   2HE2  GLN  47          2HE2      GLN  47  -9.939   1.353  -0.894
  318    H    CYS  48           H        CYS  48  -7.341   4.346   0.911
  319    HA   CYS  48           HA       CYS  48  -6.047   6.791   1.946
  320   1HB   CYS  48          1HB       CYS  48  -6.229   4.028   3.304
  321   2HB   CYS  48          2HB       CYS  48  -5.448   5.491   4.006
  322    H    GLN  49           H        GLN  49  -3.900   6.768   2.136
  323    HA   GLN  49           HA       GLN  49  -2.389   4.691   0.721
  324   1HB   GLN  49          1HB       GLN  49  -2.601   7.721   0.433
  325   2HB   GLN  49          2HB       GLN  49  -1.102   6.893  -0.141
  326   1HG   GLN  49          1HG       GLN  49  -2.218   5.757  -1.914
  327   2HG   GLN  49          2HG       GLN  49  -3.839   5.992  -1.185
  328   1HE2  GLN  49          1HE2      GLN  49  -4.616   8.270  -0.990
  329   2HE2  GLN  49          2HE2      GLN  49  -4.276   9.325  -2.331
  330    H    CYS  50           H        CYS  50  -0.005   5.159   1.172
  331    HA   CYS  50           HA       CYS  50   0.346   5.900   4.036
  332   1HB   CYS  50          1HB       CYS  50   2.112   4.299   2.104
  333   2HB   CYS  50          2HB       CYS  50   2.641   4.781   3.735
  334    H    TYR  51           H        TYR  51   1.454   7.626   4.639
  335    HA   TYR  51           HA       TYR  51   2.018   9.770   2.993
  336   1HB   TYR  51          1HB       TYR  51   2.779   8.800   5.764
  337   2HB   TYR  51          2HB       TYR  51   3.791  10.116   5.136
  338    HD1  TYR  51           HD1      TYR  51   2.665  12.206   4.146
  339    HD2  TYR  51           HD2      TYR  51   0.602   9.447   6.761
  340    HE1  TYR  51           HE1      TYR  51   1.238  13.975   4.888
  341    HE2  TYR  51           HE2      TYR  51  -0.770  11.245   7.570
  342    HH   TYR  51           HH       TYR  51  -0.656  14.500   6.042
  343    H    ASP  52           H        ASP  52   4.322   7.609   4.451
  344    HA   ASP  52           HA       ASP  52   6.496   8.659   2.764
  345   1HB   ASP  52          1HB       ASP  52   6.514   8.578   5.425
  346   2HB   ASP  52          2HB       ASP  52   6.844   6.829   5.210
  347    HD2  ASP  52           HD2      ASP  52  10.141   7.406   4.613
  348    H    THR  53           H        THR  53   8.215   7.032   2.127
  349    HA   THR  53           HA       THR  53   7.177   4.906   0.627
  350    HB   THR  53           HB       THR  53   9.798   4.371   0.601
  351    HG1  THR  53           HG1      THR  53  10.940   6.329   1.088
  352   1HG2  THR  53          1HG2      THR  53   8.569   6.971  -0.554
  353   2HG2  THR  53          2HG2      THR  53   8.465   5.337  -1.304
  354   3HG2  THR  53          3HG2      THR  53  10.059   6.152  -1.148
  355    H    HIS  54           H        HIS  54   7.868   2.630   0.792
  356    HA   HIS  54           HA       HIS  54   8.848   1.776   3.311
  357   1HB   HIS  54          1HB       HIS  54   6.488   1.715   3.908
  358   2HB   HIS  54          2HB       HIS  54   6.103   0.778   2.405
  359    HD1  HIS  54           HD1      HIS  54   6.212  -1.584   2.440
  360    HD2  HIS  54           HD2      HIS  54   7.881  -0.067   5.986
  361    HE1  HIS  54           HE1      HIS  54   6.590  -3.525   3.973
  362    HE2  HIS  54           HE2      HIS  54   7.619  -2.579   6.102
  363    H    LYS  55           H        LYS  55  10.194   0.208   3.067
  364    HA   LYS  55           HA       LYS  55  10.884  -0.491   0.414
  365   1HB   LYS  55          1HB       LYS  55  12.832  -1.551   1.357
  366   2HB   LYS  55          2HB       LYS  55  12.536   0.038   2.114
  367   1HG   LYS  55          1HG       LYS  55  11.679  -1.040   4.178
  368   2HG   LYS  55          2HG       LYS  55  11.790  -2.665   3.420
  369   1HD   LYS  55          1HD       LYS  55  14.212  -2.516   3.281
  370   2HD   LYS  55          2HD       LYS  55  14.188  -0.763   3.724
  371   1HE   LYS  55          1HE       LYS  55  13.379  -1.274   5.999
  372   2HE   LYS  55          2HE       LYS  55  13.266  -3.035   5.602
  373   1HZ   LYS  55          1HZ       LYS  55  15.284  -2.495   6.788
  374   2HZ   LYS  55          2HZ       LYS  55  15.756  -1.397   5.586
  375   3HZ   LYS  55          3HZ       LYS  55  15.644  -3.051   5.227
  376    H    PHE  56           H        PHE  56   8.365  -1.617   0.681
  377    HA   PHE  56           HA       PHE  56   8.976  -4.302  -0.079
  378   1HB   PHE  56          1HB       PHE  56   8.708  -4.162   2.648
  379   2HB   PHE  56          2HB       PHE  56   6.962  -4.268   2.231
  380    HD1  PHE  56           HD1      PHE  56   6.057  -6.410   1.518
  381    HD2  PHE  56           HD2      PHE  56  10.312  -5.826   1.772
  382    HE1  PHE  56           HE1      PHE  56   6.397  -8.842   1.320
  383    HE2  PHE  56           HE2      PHE  56  10.653  -8.247   1.545
  384    HZ   PHE  56           HZ       PHE  56   8.692  -9.775   1.343
  385    H    CYS  57           H        CYS  57   7.365  -5.240  -1.324
  386    HA   CYS  57           HA       CYS  57   4.739  -3.912  -1.409
  387   1HB   CYS  57          1HB       CYS  57   6.137  -5.401  -3.683
  388   2HB   CYS  57          2HB       CYS  57   4.507  -4.650  -3.753
  389    H    TYR  58           H        TYR  58   3.386  -5.168  -0.359
  390    HA   TYR  58           HA       TYR  58   3.993  -7.966   0.176
  391   1HB   TYR  58          1HB       TYR  58   1.729  -6.052   0.993
  392   2HB   TYR  58          2HB       TYR  58   1.690  -7.781   1.411
  393    HD1  TYR  58           HD1      TYR  58   3.068  -4.565   2.417
  394    HD2  TYR  58           HD2      TYR  58   3.697  -8.839   2.619
  395    HE1  TYR  58           HE1      TYR  58   4.502  -4.285   4.373
  396    HE2  TYR  58           HE2      TYR  58   5.135  -8.547   4.516
  397    HH   TYR  58           HH       TYR  58   6.195  -7.091   5.863
  398    H    LYS  59           H        LYS  59   2.187  -9.573   0.050
  399    HA   LYS  59           HA       LYS  59   1.582 -10.252  -2.480
  400   1HB   LYS  59          1HB       LYS  59   0.146 -10.988   0.097
  401   2HB   LYS  59          2HB       LYS  59  -0.110 -11.825  -1.477
  402   1HG   LYS  59          1HG       LYS  59   2.319 -12.488  -1.519
  403   2HG   LYS  59          2HG       LYS  59   2.561 -11.728   0.089
  404   1HD   LYS  59          1HD       LYS  59   0.776 -13.209   1.050
  405   2HD   LYS  59          2HD       LYS  59   0.639 -14.043  -0.538
  406   1HE   LYS  59          1HE       LYS  59   3.057 -14.759  -0.361
  407   2HE   LYS  59          2HE       LYS  59   3.184 -13.867   1.209
  408   1HZ   LYS  59          1HZ       LYS  59   2.798 -16.128   1.658
  409   2HZ   LYS  59          2HZ       LYS  59   1.478 -16.219   0.592
  410   3HZ   LYS  59          3HZ       LYS  59   1.358 -15.304   2.016
  411    H    ALA  60           H        ALA  60  -0.327 -10.547  -3.689
  412    HA   ALA  60           HA       ALA  60  -1.663  -8.185  -4.135
  413   1HB   ALA  60          1HB       ALA  60  -2.922  -9.463  -5.836
  414   2HB   ALA  60          2HB       ALA  60  -2.374 -11.009  -5.068
  415   3HB   ALA  60          3HB       ALA  60  -1.171  -9.915  -5.836
  416    H    CYS  61           H        CYS  61  -3.441  -7.216  -3.547
  417    HA   CYS  61           HA       CYS  61  -4.876  -8.456  -1.361
  418   1HB   CYS  61          1HB       CYS  61  -3.862  -5.975  -1.584
  419   2HB   CYS  61          2HB       CYS  61  -5.476  -5.619  -2.238
  420    H    HIS  62           H        HIS  62  -7.177  -7.610  -1.164
  421    HA   HIS  62           HA       HIS  62  -8.667  -7.954  -3.669
  422   1HB   HIS  62          1HB       HIS  62  -9.344  -9.416  -1.047
  423   2HB   HIS  62          2HB       HIS  62 -10.145  -9.631  -2.642
  424    HD1  HIS  62           HD1      HIS  62  -8.668 -10.808  -4.484
  425    HD2  HIS  62           HD2      HIS  62  -6.814 -10.724  -0.722
  426    HE1  HIS  62           HE1      HIS  62  -6.658 -12.295  -4.622
  427    HE2  HIS  62           HE2      HIS  62  -5.520 -12.188  -2.347
  428    H    ASN  63           H        ASN  63 -10.662  -6.755  -3.637
  429    HA   ASN  63           HA       ASN  63 -12.057  -6.096  -1.519
  430   1HB   ASN  63          1HB       ASN  63 -11.918  -3.559  -1.379
  431   2HB   ASN  63          2HB       ASN  63 -10.669  -4.479  -0.508
  432   1HD2  ASN  63          1HD2      ASN  63  -8.397  -4.386  -1.426
  433   2HD2  ASN  63          2HD2      ASN  63  -8.005  -3.101  -2.517
  434    H    SER  64           H        SER  64 -11.044  -4.532  -4.492
  435    HA   SER  64           HA       SER  64 -13.824  -4.853  -5.478
  436   1HB   SER  64          1HB       SER  64 -13.254  -2.557  -4.312
  437   2HB   SER  64          2HB       SER  64 -12.298  -2.206  -5.785
  438    HG   SER  64           HG       SER  64 -14.467  -1.415  -5.843
  439    H    GLU  65           H        GLU  65 -10.870  -5.839  -6.163
  440    HA   GLU  65           HA       GLU  65 -10.310  -5.047  -8.739
  441   1HB   GLU  65          1HB       GLU  65  -8.722  -6.737  -8.839
  442   2HB   GLU  65          2HB       GLU  65  -8.777  -6.250  -7.132
  443   1HG   GLU  65          1HG       GLU  65 -10.090  -8.801  -8.343
  444   2HG   GLU  65          2HG       GLU  65  -8.494  -8.715  -7.525
  445    HE2  GLU  65           HE2      GLU  65 -10.113 -10.418  -6.789
  446    H    ILE  66           H        ILE  66 -12.638  -7.181  -7.582
  447    HA   ILE  66           HA       ILE  66 -14.126  -7.233  -9.938
  448    HB   ILE  66           HB       ILE  66 -12.540  -9.139 -10.299
  449   1HG1  ILE  66          1HG1      ILE  66 -15.485  -9.967 -10.036
  450   2HG1  ILE  66          2HG1      ILE  66 -14.807  -8.921 -11.321
  451   1HG2  ILE  66          1HG2      ILE  66 -12.378  -9.822  -7.850
  452   2HG2  ILE  66          2HG2      ILE  66 -12.752 -11.180  -8.971
  453   3HG2  ILE  66          3HG2      ILE  66 -14.051 -10.482  -7.959
  454   1HD1  ILE  66          1HD1      ILE  66 -14.997 -11.267 -12.130
  455   2HD1  ILE  66          2HD1      ILE  66 -14.029 -11.866 -10.739
  456   3HD1  ILE  66          3HD1      ILE  66 -13.253 -10.830 -11.993
  457    H    GLU  67           H        GLU  67 -16.086  -8.934  -8.970
  458    HA   GLU  67           HA       GLU  67 -17.145  -7.444  -6.755
  459   1HB   GLU  67          1HB       GLU  67 -18.024 -10.141  -7.946
  460   2HB   GLU  67          2HB       GLU  67 -18.953  -9.210  -6.743
  461   1HG   GLU  67          1HG       GLU  67 -19.283  -7.321  -8.327
  462   2HG   GLU  67          2HG       GLU  67 -18.293  -8.137  -9.586
  463    HE2  GLU  67           HE2      GLU  67 -20.706 -10.585 -10.201
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1  -1.220   1.754  17.760
    2   2H    GLY   1          2H        GLY   1  -2.082   2.555  18.985
    3   3H    GLY   1          3H        GLY   1  -2.695   2.517  17.408
    4   1HA   GLY   1          1HA       GLY   1  -2.296   0.179  19.142
    5   2HA   GLY   1          2HA       GLY   1  -3.868   1.020  18.797
    6    H    ASP   2           H        ASP   2  -1.103  -0.552  17.213
    7    HA   ASP   2           HA       ASP   2  -2.815  -1.885  15.257
    8   1HB   ASP   2          1HB       ASP   2  -0.513   0.020  14.383
    9   2HB   ASP   2          2HB       ASP   2  -1.567  -0.955  13.301
   10    HD2  ASP   2           HD2      ASP   2  -4.212   1.344  13.653
   11    H    ASP   3           H        ASP   3  -1.969  -3.945  15.318
   12    HA   ASP   3           HA       ASP   3   0.894  -4.348  15.265
   13   1HB   ASP   3          1HB       ASP   3   0.701  -5.885  17.344
   14   2HB   ASP   3          2HB       ASP   3   0.780  -4.122  17.602
   15    HD2  ASP   3           HD2      ASP   3  -2.280  -3.841  19.071
   16    H    VAL   4           H        VAL   4  -0.347  -4.897  13.174
   17    HA   VAL   4           HA       VAL   4  -0.485  -7.770  13.111
   18    HB   VAL   4           HB       VAL   4  -2.777  -7.004  13.417
   19   1HG1  VAL   4          1HG1      VAL   4  -3.996  -5.877  11.553
   20   2HG1  VAL   4          2HG1      VAL   4  -2.462  -5.681  10.633
   21   3HG1  VAL   4          3HG1      VAL   4  -2.701  -4.814  12.204
   22   1HG2  VAL   4          1HG2      VAL   4  -3.748  -8.418  11.618
   23   2HG2  VAL   4          2HG2      VAL   4  -2.230  -9.159  12.240
   24   3HG2  VAL   4          3HG2      VAL   4  -2.237  -8.289  10.654
   25    H    LYS   5           H        LYS   5   0.581  -8.590  11.445
   26    HA   LYS   5           HA       LYS   5   2.004  -6.749   9.729
   27   1HB   LYS   5          1HB       LYS   5   2.039  -9.775  10.176
   28   2HB   LYS   5          2HB       LYS   5   2.994  -9.064   8.861
   29   1HG   LYS   5          1HG       LYS   5   3.269  -8.079  11.739
   30   2HG   LYS   5          2HG       LYS   5   4.193  -9.491  11.118
   31   1HD   LYS   5          1HD       LYS   5   5.309  -8.196   9.424
   32   2HD   LYS   5          2HD       LYS   5   4.288  -6.747   9.701
   33   1HE   LYS   5          1HE       LYS   5   6.211  -7.928  11.816
   34   2HE   LYS   5          2HE       LYS   5   6.620  -6.574  10.689
   35   1HZ   LYS   5          1HZ       LYS   5   4.803  -5.322  11.604
   36   2HZ   LYS   5          2HZ       LYS   5   5.895  -5.787  12.817
   37   3HZ   LYS   5          3HZ       LYS   5   4.402  -6.580  12.666
   38    H    SER   6           H        SER   6  -0.672  -8.976   9.383
   39    HA   SER   6           HA       SER   6  -0.692  -9.393   6.685
   40   1HB   SER   6          1HB       SER   6  -3.170  -9.127   8.453
   41   2HB   SER   6          2HB       SER   6  -3.035  -9.984   6.865
   42    HG   SER   6           HG       SER   6  -2.839 -11.413   8.613
   43    H    ALA   7           H        ALA   7  -0.411  -7.814   5.240
   44    HA   ALA   7           HA       ALA   7  -2.503  -5.773   4.947
   45   1HB   ALA   7          1HB       ALA   7   0.583  -5.590   4.632
   46   2HB   ALA   7          2HB       ALA   7  -0.363  -4.795   5.931
   47   3HB   ALA   7          3HB       ALA   7  -0.557  -4.232   4.224
   48    H    CYS   8           H        CYS   8  -2.654  -5.037   2.708
   49    HA   CYS   8           HA       CYS   8  -1.289  -6.773   0.752
   50   1HB   CYS   8          1HB       CYS   8  -4.095  -5.624   0.350
   51   2HB   CYS   8          2HB       CYS   8  -3.135  -6.557  -0.845
   52    H    CYS   9           H        CYS   9  -0.563  -5.742  -1.145
   53    HA   CYS   9           HA       CYS   9  -0.809  -2.817  -1.277
   54   1HB   CYS   9          1HB       CYS   9   1.085  -3.352   0.289
   55   2HB   CYS   9          2HB       CYS   9   1.795  -4.403  -0.959
   56    H    ASP  10           H        ASP  10  -2.087  -3.601  -3.175
   57    HA   ASP  10           HA       ASP  10  -0.804  -5.262  -5.052
   58   1HB   ASP  10          1HB       ASP  10  -2.940  -5.165  -6.243
   59   2HB   ASP  10          2HB       ASP  10  -3.135  -5.509  -4.526
   60    HD2  ASP  10           HD2      ASP  10  -4.672  -2.441  -3.832
   61    H    THR  11           H        THR  11   0.129  -2.431  -4.619
   62    HA   THR  11           HA       THR  11   1.203  -2.111  -7.220
   63    HB   THR  11           HB       THR  11  -0.302   0.391  -6.340
   64    HG1  THR  11           HG1      THR  11  -1.746  -1.270  -7.115
   65   1HG2  THR  11          1HG2      THR  11   1.825   0.608  -7.783
   66   2HG2  THR  11          2HG2      THR  11   0.334   1.061  -8.687
   67   3HG2  THR  11          3HG2      THR  11   1.098  -0.554  -8.939
   68    H    CYS  12           H        CYS  12   2.933  -2.572  -6.121
   69    HA   CYS  12           HA       CYS  12   4.083  -0.737  -4.171
   70   1HB   CYS  12          1HB       CYS  12   5.149  -3.213  -5.674
   71   2HB   CYS  12          2HB       CYS  12   6.121  -2.276  -4.443
   72    H    LEU  13           H        LEU  13   4.601   1.247  -5.072
   73    HA   LEU  13           HA       LEU  13   6.019   1.276  -7.668
   74   1HB   LEU  13          1HB       LEU  13   4.292   2.960  -7.241
   75   2HB   LEU  13          2HB       LEU  13   5.182   3.562  -5.806
   76    HG   LEU  13           HG       LEU  13   6.493   3.505  -8.586
   77   1HD1  LEU  13          1HD1      LEU  13   4.184   4.553  -8.791
   78   2HD1  LEU  13          2HD1      LEU  13   5.538   5.704  -9.128
   79   3HD1  LEU  13          3HD1      LEU  13   4.666   5.765  -7.557
   80   1HD2  LEU  13          1HD2      LEU  13   7.943   4.222  -6.620
   81   2HD2  LEU  13          2HD2      LEU  13   6.725   5.474  -6.205
   82   3HD2  LEU  13          3HD2      LEU  13   7.637   5.581  -7.755
   83    H    CYS  14           H        CYS  14   8.230   1.470  -7.743
   84    HA   CYS  14           HA       CYS  14   9.682   2.021  -5.298
   85   1HB   CYS  14          1HB       CYS  14  10.021  -0.455  -7.067
   86   2HB   CYS  14          2HB       CYS  14  11.159   0.003  -5.790
   87    H    THR  15           H        THR  15  11.397   3.204  -5.588
   88    HA   THR  15           HA       THR  15  11.836   4.169  -8.279
   89    HB   THR  15           HB       THR  15  13.457   5.702  -7.302
   90    HG1  THR  15           HG1      THR  15  13.641   5.778  -5.074
   91   1HG2  THR  15          1HG2      THR  15  10.964   6.181  -7.350
   92   2HG2  THR  15          2HG2      THR  15  11.810   6.993  -5.984
   93   3HG2  THR  15          3HG2      THR  15  10.815   5.518  -5.678
   94    H    ARG  16           H        ARG  16  14.063   4.539  -9.117
   95    HA   ARG  16           HA       ARG  16  15.615   2.086  -8.946
   96   1HB   ARG  16          1HB       ARG  16  16.936   2.818 -10.754
   97   2HB   ARG  16          2HB       ARG  16  15.204   3.002 -11.169
   98   1HG   ARG  16          1HG       ARG  16  15.360   5.269 -11.442
   99   2HG   ARG  16          2HG       ARG  16  16.478   5.481 -10.049
  100   1HD   ARG  16          1HD       ARG  16  18.344   4.452 -11.484
  101   2HD   ARG  16          2HD       ARG  16  17.206   4.428 -12.868
  102    HE   ARG  16           HE       ARG  16  17.564   6.694 -13.142
  103   1HH1  ARG  16          1HH1      ARG  16  18.576   5.931  -9.756
  104   2HH1  ARG  16          2HH1      ARG  16  19.243   7.505  -9.507
  105   1HH2  ARG  16          1HH2      ARG  16  18.436   8.765 -12.710
  106   2HH2  ARG  16          2HH2      ARG  16  19.148   9.124 -11.178
  107    H    SER  17           H        SER  17  15.470   3.947  -6.650
  108    HA   SER  17           HA       SER  17  18.090   4.922  -6.181
  109   1HB   SER  17          1HB       SER  17  15.940   5.584  -4.856
  110   2HB   SER  17          2HB       SER  17  16.298   4.162  -3.831
  111    HG   SER  17           HG       SER  17  17.237   6.142  -3.087
  112    H    GLN  18           H        GLN  18  18.765   3.904  -3.636
  113    HA   GLN  18           HA       GLN  18  19.523   1.104  -4.025
  114   1HB   GLN  18          1HB       GLN  18  21.503   3.458  -3.749
  115   2HB   GLN  18          2HB       GLN  18  21.931   1.741  -3.547
  116   1HG   GLN  18          1HG       GLN  18  22.759   2.174  -5.668
  117   2HG   GLN  18          2HG       GLN  18  21.206   1.358  -6.008
  118   1HE2  GLN  18          1HE2      GLN  18  21.333   4.851  -5.052
  119   2HE2  GLN  18          2HE2      GLN  18  20.987   5.448  -6.654
  120    HA   PRO  19           HA       PRO  19  18.502  -0.284  -2.732
  121   1HB   PRO  19          1HB       PRO  19  16.781  -0.974  -0.677
  122   2HB   PRO  19          2HB       PRO  19  18.573  -1.294  -0.545
  123   1HG   PRO  19          1HG       PRO  19  17.027   1.136   0.543
  124   2HG   PRO  19          2HG       PRO  19  18.115   0.013   1.459
  125   1HD   PRO  19          1HD       PRO  19  18.999   2.407   0.355
  126   2HD   PRO  19          2HD       PRO  19  20.079   0.938   0.397
  127    HA   PRO  20           HA       PRO  20  15.264   1.998  -4.388
  128   1HB   PRO  20          1HB       PRO  20  13.236   0.252  -5.049
  129   2HB   PRO  20          2HB       PRO  20  14.886   0.149  -5.767
  130   1HG   PRO  20          1HG       PRO  20  13.863  -1.401  -3.326
  131   2HG   PRO  20          2HG       PRO  20  14.572  -2.082  -4.856
  132   1HD   PRO  20          1HD       PRO  20  16.152  -1.640  -2.662
  133   2HD   PRO  20          2HD       PRO  20  16.767  -1.180  -4.326
  134    H    THR  21           H        THR  21  13.781   3.468  -3.788
  135    HA   THR  21           HA       THR  21  12.578   3.167  -1.178
  136    HB   THR  21           HB       THR  21  12.315   5.431  -3.196
  137    HG1  THR  21           HG1      THR  21  13.738   6.404  -1.637
  138   1HG2  THR  21          1HG2      THR  21  10.431   5.343  -1.480
  139   2HG2  THR  21          2HG2      THR  21  11.562   6.695  -1.139
  140   3HG2  THR  21          3HG2      THR  21  11.659   5.176  -0.174
  141    H    CYS  22           H        CYS  22  10.912   1.806  -1.062
  142    HA   CYS  22           HA       CYS  22   8.940   1.844  -3.228
  143   1HB   CYS  22          1HB       CYS  22   9.228  -0.204  -0.982
  144   2HB   CYS  22          2HB       CYS  22   7.996  -0.250  -2.232
  145    H    ARG  23           H        ARG  23   6.697   1.550  -2.675
  146    HA   ARG  23           HA       ARG  23   5.565   2.676  -0.298
  147   1HB   ARG  23          1HB       ARG  23   5.982   4.298  -2.874
  148   2HB   ARG  23          2HB       ARG  23   4.440   4.474  -1.986
  149   1HG   ARG  23          1HG       ARG  23   5.791   5.029   0.125
  150   2HG   ARG  23          2HG       ARG  23   7.214   5.248  -0.963
  151   1HD   ARG  23          1HD       ARG  23   6.111   7.438  -0.561
  152   2HD   ARG  23          2HD       ARG  23   5.819   6.939  -2.291
  153    HE   ARG  23           HE       ARG  23   3.853   6.212  -0.135
  154   1HH1  ARG  23          1HH1      ARG  23   4.339   8.271  -3.068
  155   2HH1  ARG  23          2HH1      ARG  23   2.687   8.205  -3.484
  156   1HH2  ARG  23          1HH2      ARG  23   1.792   6.177  -0.683
  157   2HH2  ARG  23          2HH2      ARG  23   1.132   6.988  -2.075
  158    H    CYS  24           H        CYS  24   3.356   2.318  -0.317
  159    HA   CYS  24           HA       CYS  24   2.322   0.701  -2.551
  160   1HB   CYS  24          1HB       CYS  24   1.088   1.353   0.196
  161   2HB   CYS  24          2HB       CYS  24   0.359   0.285  -1.036
  162    H    VAL  25           H        VAL  25   1.922   2.225  -4.155
  163    HA   VAL  25           HA       VAL  25   0.693   4.717  -3.554
  164    HB   VAL  25           HB       VAL  25   0.473   5.132  -5.918
  165   1HG1  VAL  25          1HG1      VAL  25   2.546   5.642  -4.611
  166   2HG1  VAL  25          2HG1      VAL  25   2.930   5.176  -6.307
  167   3HG1  VAL  25          3HG1      VAL  25   3.192   3.994  -4.963
  168   1HG2  VAL  25          1HG2      VAL  25   1.697   2.308  -6.268
  169   2HG2  VAL  25          2HG2      VAL  25   1.422   3.530  -7.558
  170   3HG2  VAL  25          3HG2      VAL  25   0.016   2.791  -6.734
  171    H    ASP  26           H        ASP  26  -0.550   1.622  -4.059
  172    HA   ASP  26           HA       ASP  26  -3.235   2.470  -4.647
  173   1HB   ASP  26          1HB       ASP  26  -2.161   0.226  -5.358
  174   2HB   ASP  26          2HB       ASP  26  -2.405  -0.333  -3.669
  175    HD2  ASP  26           HD2      ASP  26  -5.468   0.139  -6.249
  176    H    VAL  27           H        VAL  27  -5.044   2.346  -3.270
  177    HA   VAL  27           HA       VAL  27  -4.424   2.607  -0.428
  178    HB   VAL  27           HB       VAL  27  -6.475   3.762  -0.177
  179   1HG1  VAL  27          1HG1      VAL  27  -5.061   4.720  -2.753
  180   2HG1  VAL  27          2HG1      VAL  27  -4.382   4.888  -1.091
  181   3HG1  VAL  27          3HG1      VAL  27  -5.909   5.731  -1.523
  182   1HG2  VAL  27          1HG2      VAL  27  -7.975   2.509  -1.678
  183   2HG2  VAL  27          2HG2      VAL  27  -7.080   3.095  -3.135
  184   3HG2  VAL  27          3HG2      VAL  27  -7.973   4.244  -2.089
  185    H    ARG  28           H        ARG  28  -5.835   1.857   1.210
  186    HA   ARG  28           HA       ARG  28  -7.458  -0.488   0.493
  187   1HB   ARG  28          1HB       ARG  28  -5.896   0.241   3.005
  188   2HB   ARG  28          2HB       ARG  28  -7.326  -0.841   3.111
  189   1HG   ARG  28          1HG       ARG  28  -5.326  -2.144   3.164
  190   2HG   ARG  28          2HG       ARG  28  -6.372  -2.551   1.752
  191   1HD   ARG  28          1HD       ARG  28  -3.934  -2.567   1.149
  192   2HD   ARG  28          2HD       ARG  28  -4.789  -1.205   0.287
  193    HE   ARG  28           HE       ARG  28  -3.904  -0.271   2.819
  194   1HH1  ARG  28          1HH1      ARG  28  -2.470  -1.258  -0.291
  195   2HH1  ARG  28          2HH1      ARG  28  -1.586   0.225  -0.464
  196   1HH2  ARG  28          1HH2      ARG  28  -2.793   1.558   2.591
  197   2HH2  ARG  28          2HH2      ARG  28  -1.665   1.855   1.278
  198    H    GLU  29           H        GLU  29  -9.341  -0.657   1.861
  199    HA   GLU  29           HA       GLU  29 -11.017   1.549   2.091
  200   1HB   GLU  29          1HB       GLU  29 -10.923  -1.237   3.312
  201   2HB   GLU  29          2HB       GLU  29 -12.309  -0.138   3.600
  202   1HG   GLU  29          1HG       GLU  29 -12.541   0.100   1.029
  203   2HG   GLU  29          2HG       GLU  29 -11.389  -1.263   0.859
  204    HE2  GLU  29           HE2      GLU  29 -14.915  -2.340   0.791
  205    H    SER  30           H        SER  30  -8.583   0.509   4.227
  206    HA   SER  30           HA       SER  30  -9.169   2.504   6.240
  207   1HB   SER  30          1HB       SER  30  -9.287  -0.547   6.873
  208   2HB   SER  30          2HB       SER  30  -9.248   0.733   8.144
  209    HG   SER  30           HG       SER  30 -11.340  -0.107   7.644
  210    H    CYS  31           H        CYS  31  -7.517   2.186   8.178
  211    HA   CYS  31           HA       CYS  31  -4.932   1.919   7.054
  212   1HB   CYS  31          1HB       CYS  31  -5.936   2.309   9.912
  213   2HB   CYS  31          2HB       CYS  31  -4.175   2.393   9.443
  214    H    HIS  32           H        HIS  32  -5.144  -0.305   6.272
  215    HA   HIS  32           HA       HIS  32  -3.370  -1.736   8.110
  216   1HB   HIS  32          1HB       HIS  32  -5.475  -3.083   6.354
  217   2HB   HIS  32          2HB       HIS  32  -4.041  -3.932   7.088
  218    HD1  HIS  32           HD1      HIS  32  -7.347  -3.864   7.641
  219    HD2  HIS  32           HD2      HIS  32  -4.194  -2.782  10.166
  220    HE1  HIS  32           HE1      HIS  32  -8.198  -4.061   9.976
  221    HE2  HIS  32           HE2      HIS  32  -6.261  -3.424  11.512
  222    H    SER  33           H        SER  33  -2.096  -0.214   7.055
  223    HA   SER  33           HA       SER  33  -1.113  -1.201   4.458
  224   1HB   SER  33          1HB       SER  33  -0.320   1.050   3.946
  225   2HB   SER  33          2HB       SER  33  -1.971   1.255   4.627
  226    HG   SER  33           HG       SER  33  -0.719   2.718   5.651
  227    H    ALA  34           H        ALA  34   1.532  -0.205   4.552
  228    HA   ALA  34           HA       ALA  34   2.631  -1.265   7.039
  229   1HB   ALA  34          1HB       ALA  34   2.670  -3.059   5.278
  230   2HB   ALA  34          2HB       ALA  34   4.342  -2.474   5.648
  231   3HB   ALA  34          3HB       ALA  34   3.488  -1.910   4.150
  232    H    CYS  35           H        CYS  35   2.147   1.277   6.825
  233    HA   CYS  35           HA       CYS  35   4.773   2.541   6.399
  234   1HB   CYS  35          1HB       CYS  35   1.930   3.472   5.714
  235   2HB   CYS  35          2HB       CYS  35   3.283   4.644   5.851
  236    H    ASP  36           H        ASP  36   5.209   4.329   7.850
  237    HA   ASP  36           HA       ASP  36   3.963   4.268  10.356
  238   1HB   ASP  36          1HB       ASP  36   6.288   5.144   9.922
  239   2HB   ASP  36          2HB       ASP  36   5.597   6.611   9.163
  240    HD2  ASP  36           HD2      ASP  36   6.104   7.745  12.424
  241    H    LYS  37           H        LYS  37   3.499   6.840   7.798
  242    HA   LYS  37           HA       LYS  37   1.125   7.670   9.194
  243   1HB   LYS  37          1HB       LYS  37   3.000   9.163   8.218
  244   2HB   LYS  37          2HB       LYS  37   2.260   8.865   6.651
  245   1HG   LYS  37          1HG       LYS  37   1.382  10.933   7.442
  246   2HG   LYS  37          2HG       LYS  37   0.034   9.786   7.719
  247   1HD   LYS  37          1HD       LYS  37   0.557   9.690  10.143
  248   2HD   LYS  37          2HD       LYS  37   2.169  10.436   9.876
  249   1HE   LYS  37          1HE       LYS  37   0.694  12.080  10.918
  250   2HE   LYS  37          2HE       LYS  37   1.117  12.601   9.240
  251   1HZ   LYS  37          1HZ       LYS  37  -1.413  11.293  10.107
  252   2HZ   LYS  37          2HZ       LYS  37  -1.019  11.736   8.514
  253   3HZ   LYS  37          3HZ       LYS  37  -1.188  12.929   9.708
  254    H    CYS  38           H        CYS  38  -0.696   6.536   8.881
  255    HA   CYS  38           HA       CYS  38  -1.587   5.875   6.187
  256   1HB   CYS  38          1HB       CYS  38  -1.955   4.376   8.238
  257   2HB   CYS  38          2HB       CYS  38  -2.873   5.731   8.985
  258    H    VAL  39           H        VAL  39  -2.390   7.651   4.988
  259    HA   VAL  39           HA       VAL  39  -3.930   9.639   6.527
  260    HB   VAL  39           HB       VAL  39  -1.717   9.819   4.738
  261   1HG1  VAL  39          1HG1      VAL  39  -2.608  11.303   2.983
  262   2HG1  VAL  39          2HG1      VAL  39  -4.283  10.927   3.462
  263   3HG1  VAL  39          3HG1      VAL  39  -3.231   9.614   2.806
  264   1HG2  VAL  39          1HG2      VAL  39  -2.288  11.378   6.626
  265   2HG2  VAL  39          2HG2      VAL  39  -3.706  11.973   5.661
  266   3HG2  VAL  39          3HG2      VAL  39  -2.034  12.236   5.055
  267    H    CYS  40           H        CYS  40  -6.133  10.109   5.534
  268    HA   CYS  40           HA       CYS  40  -6.840   8.211   3.387
  269   1HB   CYS  40          1HB       CYS  40  -8.330   8.628   5.995
  270   2HB   CYS  40          2HB       CYS  40  -8.892   7.619   4.664
  271    H    ALA  41           H        ALA  41  -7.950   9.071   1.893
  272    HA   ALA  41           HA       ALA  41  -9.203  11.649   2.147
  273   1HB   ALA  41          1HB       ALA  41  -8.294  10.866  -0.026
  274   2HB   ALA  41          2HB       ALA  41 -10.007  11.397  -0.073
  275   3HB   ALA  41          3HB       ALA  41  -9.611   9.632  -0.093
  276    H    TYR  42           H        TYR  42 -11.182  12.141   2.637
  277    HA   TYR  42           HA       TYR  42 -12.588  10.279   4.179
  278   1HB   TYR  42          1HB       TYR  42 -13.927  12.475   4.747
  279   2HB   TYR  42          2HB       TYR  42 -12.154  12.403   5.067
  280    HD1  TYR  42           HD1      TYR  42 -14.632  13.532   2.449
  281    HD2  TYR  42           HD2      TYR  42 -10.642  13.972   4.035
  282    HE1  TYR  42           HE1      TYR  42 -14.232  15.436   0.960
  283    HE2  TYR  42           HE2      TYR  42 -10.258  15.861   2.553
  284    HH   TYR  42           HH       TYR  42 -12.896  17.180   0.510
  285    H    SER  43           H        SER  43 -12.814  10.737   1.079
  286    HA   SER  43           HA       SER  43 -15.483  10.832   0.320
  287   1HB   SER  43          1HB       SER  43 -13.249   9.228  -1.062
  288   2HB   SER  43          2HB       SER  43 -14.791   9.883  -1.810
  289    HG   SER  43           HG       SER  43 -12.946  11.184  -2.210
  290    H    ASN  44           H        ASN  44 -16.800   9.156  -0.654
  291    HA   ASN  44           HA       ASN  44 -16.691   6.625   0.683
  292   1HB   ASN  44          1HB       ASN  44 -18.923   6.291  -0.172
  293   2HB   ASN  44          2HB       ASN  44 -18.757   7.853   0.619
  294   1HD2  ASN  44          1HD2      ASN  44 -19.513   6.373  -2.535
  295   2HD2  ASN  44          2HD2      ASN  44 -19.879   7.875  -3.293
  296    HA   PRO  45           HA       PRO  45 -16.024   4.763   0.794
  297   1HB   PRO  45          1HB       PRO  45 -14.451   2.582   0.309
  298   2HB   PRO  45          2HB       PRO  45 -16.145   2.594  -0.206
  299   1HG   PRO  45          1HG       PRO  45 -13.705   3.297  -1.937
  300   2HG   PRO  45          2HG       PRO  45 -15.017   2.130  -2.328
  301   1HD   PRO  45          1HD       PRO  45 -15.012   4.807  -3.180
  302   2HD   PRO  45          2HD       PRO  45 -16.560   3.911  -2.829
  303    HA   PRO  46           HA       PRO  46 -12.431   6.977   1.595
  304   1HB   PRO  46          1HB       PRO  46 -11.263   5.777   3.878
  305   2HB   PRO  46          2HB       PRO  46 -12.701   6.863   3.853
  306   1HG   PRO  46          1HG       PRO  46 -12.676   3.815   3.802
  307   2HG   PRO  46          2HG       PRO  46 -13.667   4.941   4.843
  308   1HD   PRO  46          1HD       PRO  46 -14.681   3.746   2.582
  309   2HD   PRO  46          2HD       PRO  46 -15.036   5.562   2.936
  310    H    GLN  47           H        GLN  47 -10.168   7.232   1.414
  311    HA   GLN  47           HA       GLN  47  -8.920   4.914   0.037
  312   1HB   GLN  47          1HB       GLN  47  -8.624   7.844  -0.748
  313   2HB   GLN  47          2HB       GLN  47  -8.010   6.413  -1.632
  314   1HG   GLN  47          1HG       GLN  47 -11.035   6.948  -1.234
  315   2HG   GLN  47          2HG       GLN  47 -10.086   7.610  -2.595
  316   1HE2  GLN  47          1HE2      GLN  47 -10.890   4.432  -1.036
  317   2HE2  GLN  47          2HE2      GLN  47 -10.762   3.511  -2.501
  318    H    CYS  48           H        CYS  48  -7.905   4.222   1.806
  319    HA   CYS  48           HA       CYS  48  -6.217   6.070   3.288
  320   1HB   CYS  48          1HB       CYS  48  -6.851   3.155   3.814
  321   2HB   CYS  48          2HB       CYS  48  -5.696   4.166   4.766
  322    H    GLN  49           H        GLN  49  -4.322   6.599   2.786
  323    HA   GLN  49           HA       GLN  49  -2.837   5.058   0.818
  324   1HB   GLN  49          1HB       GLN  49  -2.900   7.957   1.718
  325   2HB   GLN  49          2HB       GLN  49  -1.626   7.351   0.593
  326   1HG   GLN  49          1HG       GLN  49  -3.340   6.797  -1.102
  327   2HG   GLN  49          2HG       GLN  49  -4.666   7.299  -0.008
  328   1HE2  GLN  49          1HE2      GLN  49  -4.426   9.622   0.847
  329   2HE2  GLN  49          2HE2      GLN  49  -3.875  10.836  -0.265
  330    H    CYS  50           H        CYS  50  -0.764   4.624   1.027
  331    HA   CYS  50           HA       CYS  50   0.369   4.558   3.738
  332   1HB   CYS  50          1HB       CYS  50   0.106   2.598   1.906
  333   2HB   CYS  50          2HB       CYS  50   1.500   3.351   1.122
  334    H    TYR  51           H        TYR  51   0.770   6.797   3.859
  335    HA   TYR  51           HA       TYR  51   2.103   8.301   1.941
  336   1HB   TYR  51          1HB       TYR  51   1.061   8.773   4.663
  337   2HB   TYR  51          2HB       TYR  51   2.669   9.520   4.529
  338    HD1  TYR  51           HD1      TYR  51  -0.432   9.013   2.438
  339    HD2  TYR  51           HD2      TYR  51   2.608  11.816   3.689
  340    HE1  TYR  51           HE1      TYR  51  -1.144  10.603   0.715
  341    HE2  TYR  51           HE2      TYR  51   1.770  13.425   2.133
  342    HH   TYR  51           HH       TYR  51  -0.088  12.439  -0.557
  343    H    ASP  52           H        ASP  52   3.495   6.461   4.465
  344    HA   ASP  52           HA       ASP  52   6.086   7.734   4.078
  345   1HB   ASP  52          1HB       ASP  52   5.045   6.915   6.374
  346   2HB   ASP  52          2HB       ASP  52   5.668   5.304   5.916
  347    HD2  ASP  52           HD2      ASP  52   8.166   8.446   6.590
  348    H    THR  53           H        THR  53   8.128   6.472   3.870
  349    HA   THR  53           HA       THR  53   7.930   4.757   1.597
  350    HB   THR  53           HB       THR  53  10.429   4.667   1.685
  351    HG1  THR  53           HG1      THR  53  11.427   6.086   3.073
  352   1HG2  THR  53          1HG2      THR  53   9.132   6.354   0.369
  353   2HG2  THR  53          2HG2      THR  53  10.629   7.079   1.046
  354   3HG2  THR  53          3HG2      THR  53   9.039   7.447   1.790
  355    H    HIS  54           H        HIS  54   9.045   2.624   1.341
  356    HA   HIS  54           HA       HIS  54   9.621   1.285   3.784
  357   1HB   HIS  54          1HB       HIS  54   7.010   0.933   2.836
  358   2HB   HIS  54          2HB       HIS  54   7.869  -0.384   1.976
  359    HD1  HIS  54           HD1      HIS  54   6.912  -2.226   3.073
  360    HD2  HIS  54           HD2      HIS  54   8.280   0.500   5.946
  361    HE1  HIS  54           HE1      HIS  54   6.639  -3.319   5.301
  362    HE2  HIS  54           HE2      HIS  54   7.440  -1.635   7.037
  363    H    LYS  55           H        LYS  55  10.928  -0.572   3.384
  364    HA   LYS  55           HA       LYS  55  12.065  -0.701   0.667
  365   1HB   LYS  55          1HB       LYS  55  13.967  -1.824   1.713
  366   2HB   LYS  55          2HB       LYS  55  13.597  -0.313   2.584
  367   1HG   LYS  55          1HG       LYS  55  12.575  -1.536   4.447
  368   2HG   LYS  55          2HG       LYS  55  12.680  -3.093   3.555
  369   1HD   LYS  55          1HD       LYS  55  15.136  -3.041   3.693
  370   2HD   LYS  55          2HD       LYS  55  15.108  -1.355   4.320
  371   1HE   LYS  55          1HE       LYS  55  15.508  -2.976   6.175
  372   2HE   LYS  55          2HE       LYS  55  13.954  -2.072   6.386
  373   1HZ   LYS  55          1HZ       LYS  55  14.231  -4.836   5.307
  374   2HZ   LYS  55          2HZ       LYS  55  12.781  -3.972   5.485
  375   3HZ   LYS  55          3HZ       LYS  55  13.689  -4.400   6.856
  376    H    PHE  56           H        PHE  56   9.431  -1.940   1.448
  377    HA   PHE  56           HA       PHE  56   9.974  -4.730   0.747
  378   1HB   PHE  56          1HB       PHE  56  10.281  -4.451   3.297
  379   2HB   PHE  56          2HB       PHE  56   8.541  -4.029   3.404
  380    HD1  PHE  56           HD1      PHE  56   6.838  -5.791   3.017
  381    HD2  PHE  56           HD2      PHE  56  11.029  -6.656   2.657
  382    HE1  PHE  56           HE1      PHE  56   6.341  -8.193   3.149
  383    HE2  PHE  56           HE2      PHE  56  10.545  -9.061   2.775
  384    HZ   PHE  56           HZ       PHE  56   8.198  -9.855   3.024
  385    H    CYS  57           H        CYS  57   8.293  -5.723  -0.197
  386    HA   CYS  57           HA       CYS  57   5.878  -4.095  -0.750
  387   1HB   CYS  57          1HB       CYS  57   7.399  -4.293  -2.686
  388   2HB   CYS  57          2HB       CYS  57   7.451  -6.054  -2.505
  389    H    TYR  58           H        TYR  58   4.051  -4.887  -0.025
  390    HA   TYR  58           HA       TYR  58   3.881  -7.712   0.769
  391   1HB   TYR  58          1HB       TYR  58   2.041  -5.321   1.193
  392   2HB   TYR  58          2HB       TYR  58   1.373  -6.976   1.228
  393    HD1  TYR  58           HD1      TYR  58   1.505  -8.243   3.226
  394    HD2  TYR  58           HD2      TYR  58   4.259  -4.948   2.680
  395    HE1  TYR  58           HE1      TYR  58   2.295  -8.530   5.458
  396    HE2  TYR  58           HE2      TYR  58   5.048  -5.260   4.960
  397    HH   TYR  58           HH       TYR  58   3.384  -7.466   7.176
  398    H    LYS  59           H        LYS  59   2.454  -9.119  -0.005
  399    HA   LYS  59           HA       LYS  59   1.964  -9.321  -2.700
  400   1HB   LYS  59          1HB       LYS  59   0.727 -10.804  -0.342
  401   2HB   LYS  59          2HB       LYS  59   0.556 -11.268  -2.068
  402   1HG   LYS  59          1HG       LYS  59   2.477 -12.470  -1.879
  403   2HG   LYS  59          2HG       LYS  59   3.347 -10.926  -1.783
  404   1HD   LYS  59          1HD       LYS  59   4.198 -11.904   0.087
  405   2HD   LYS  59          2HD       LYS  59   2.770 -11.184   0.894
  406   1HE   LYS  59          1HE       LYS  59   3.022 -14.088  -0.128
  407   2HE   LYS  59          2HE       LYS  59   3.158 -13.522   1.581
  408   1HZ   LYS  59          1HZ       LYS  59   0.884 -12.720   1.424
  409   2HZ   LYS  59          2HZ       LYS  59   1.009 -14.394   1.145
  410   3HZ   LYS  59          3HZ       LYS  59   0.762 -13.332  -0.161
  411    H    ALA  60           H        ALA  60   0.053  -9.492  -3.933
  412    HA   ALA  60           HA       ALA  60  -1.746  -7.339  -3.374
  413   1HB   ALA  60          1HB       ALA  60  -2.593  -7.894  -5.690
  414   2HB   ALA  60          2HB       ALA  60  -1.541  -9.363  -5.675
  415   3HB   ALA  60          3HB       ALA  60  -0.789  -7.741  -5.627
  416    H    CYS  61           H        CYS  61  -3.934  -7.348  -3.081
  417    HA   CYS  61           HA       CYS  61  -5.468  -9.562  -3.529
  418   1HB   CYS  61          1HB       CYS  61  -6.445 -10.006  -1.417
  419   2HB   CYS  61          2HB       CYS  61  -4.679 -10.008  -1.122
  420    H    HIS  62           H        HIS  62  -7.804  -8.922  -3.142
  421    HA   HIS  62           HA       HIS  62  -8.109  -6.189  -4.148
  422   1HB   HIS  62          1HB       HIS  62 -10.262  -8.334  -3.670
  423   2HB   HIS  62          2HB       HIS  62 -10.451  -6.856  -4.643
  424    HD1  HIS  62           HD1      HIS  62  -8.193  -6.925  -6.553
  425    HD2  HIS  62           HD2      HIS  62 -10.168 -10.415  -5.359
  426    HE1  HIS  62           HE1      HIS  62  -7.845  -8.604  -8.361
  427    HE2  HIS  62           HE2      HIS  62  -9.034 -10.732  -7.621
  428    H    ASN  63           H        ASN  63  -9.891  -4.739  -3.201
  429    HA   ASN  63           HA       ASN  63 -11.483  -5.409  -1.191
  430   1HB   ASN  63          1HB       ASN  63 -10.797  -4.056   0.737
  431   2HB   ASN  63          2HB       ASN  63  -9.637  -5.358   0.452
  432   1HD2  ASN  63          1HD2      ASN  63  -7.563  -4.583  -0.911
  433   2HD2  ASN  63          2HD2      ASN  63  -7.009  -2.991  -0.609
  434    H    SER  64           H        SER  64  -9.590  -2.602  -2.152
  435    HA   SER  64           HA       SER  64 -12.032  -1.295  -3.216
  436   1HB   SER  64          1HB       SER  64 -10.892  -0.100  -1.276
  437   2HB   SER  64          2HB       SER  64  -9.409  -0.032  -2.242
  438    HG   SER  64           HG       SER  64 -11.882   1.128  -3.146
  439    H    GLU  65           H        GLU  65 -11.126  -3.213  -4.828
  440    HA   GLU  65           HA       GLU  65  -8.862  -2.554  -6.366
  441   1HB   GLU  65          1HB       GLU  65  -9.569  -4.902  -5.994
  442   2HB   GLU  65          2HB       GLU  65 -10.998  -4.647  -7.012
  443   1HG   GLU  65          1HG       GLU  65  -9.276  -5.734  -8.362
  444   2HG   GLU  65          2HG       GLU  65  -9.457  -4.057  -8.975
  445    HE2  GLU  65           HE2      GLU  65  -6.107  -5.233  -7.091
  446    H    ILE  66           H        ILE  66 -12.268  -2.591  -7.321
  447    HA   ILE  66           HA       ILE  66 -11.625  -1.035  -9.723
  448    HB   ILE  66           HB       ILE  66 -14.272  -2.244  -8.802
  449   1HG1  ILE  66          1HG1      ILE  66 -12.403  -3.030 -11.122
  450   2HG1  ILE  66          2HG1      ILE  66 -12.435  -3.882  -9.557
  451   1HG2  ILE  66          1HG2      ILE  66 -14.618  -0.134 -10.153
  452   2HG2  ILE  66          2HG2      ILE  66 -15.049  -1.570 -11.117
  453   3HG2  ILE  66          3HG2      ILE  66 -13.474  -0.747 -11.398
  454   1HD1  ILE  66          1HD1      ILE  66 -14.822  -3.662 -11.509
  455   2HD1  ILE  66          2HD1      ILE  66 -14.875  -4.433  -9.882
  456   3HD1  ILE  66          3HD1      ILE  66 -13.814  -5.110 -11.178
  457    H    GLU  67           H        GLU  67 -13.967  -0.831  -6.972
  458    HA   GLU  67           HA       GLU  67 -12.838   1.709  -6.326
  459   1HB   GLU  67          1HB       GLU  67 -15.835   1.015  -6.340
  460   2HB   GLU  67          2HB       GLU  67 -15.141   2.391  -5.405
  461   1HG   GLU  67          1HG       GLU  67 -14.496   3.587  -7.444
  462   2HG   GLU  67          2HG       GLU  67 -14.790   2.143  -8.471
  463    HE2  GLU  67           HE2      GLU  67 -18.206   2.533  -8.576
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1  -3.618 -20.482  10.728
    2   2H    GLY   1          2H        GLY   1  -2.926 -19.628  12.024
    3   3H    GLY   1          3H        GLY   1  -1.929 -20.431  10.908
    4   1HA   GLY   1          1HA       GLY   1  -2.604 -18.992   9.170
    5   2HA   GLY   1          2HA       GLY   1  -3.696 -18.148  10.334
    6    H    ASP   2           H        ASP   2  -2.391 -16.279   9.381
    7    HA   ASP   2           HA       ASP   2  -0.318 -15.565  11.281
    8   1HB   ASP   2          1HB       ASP   2   0.314 -15.789   8.229
    9   2HB   ASP   2          2HB       ASP   2   1.321 -14.881   9.415
   10    HD2  ASP   2           HD2      ASP   2   1.685 -18.796   9.105
   11    H    ASP   3           H        ASP   3  -0.876 -13.452  11.788
   12    HA   ASP   3           HA       ASP   3  -1.230 -11.669   9.630
   13   1HB   ASP   3          1HB       ASP   3  -3.620 -12.898  10.553
   14   2HB   ASP   3          2HB       ASP   3  -3.621 -11.364  11.465
   15    HD2  ASP   3           HD2      ASP   3  -2.898 -12.691   8.389
   16    H    VAL   4           H        VAL   4   0.723 -11.196  10.573
   17    HA   VAL   4           HA       VAL   4   0.491  -9.520  12.987
   18    HB   VAL   4           HB       VAL   4   1.687 -11.479  13.476
   19   1HG1  VAL   4          1HG1      VAL   4   2.650 -12.140  11.288
   20   2HG1  VAL   4          2HG1      VAL   4   3.824 -12.114  12.630
   21   3HG1  VAL   4          3HG1      VAL   4   3.877 -10.809  11.423
   22   1HG2  VAL   4          1HG2      VAL   4   3.684 -10.391  14.493
   23   2HG2  VAL   4          2HG2      VAL   4   2.265  -9.291  14.596
   24   3HG2  VAL   4          3HG2      VAL   4   3.551  -8.997  13.370
   25    H    LYS   5           H        LYS   5   2.773  -9.613  10.111
   26    HA   LYS   5           HA       LYS   5   2.680  -6.693  10.233
   27   1HB   LYS   5          1HB       LYS   5   4.764  -8.610   9.076
   28   2HB   LYS   5          2HB       LYS   5   4.923  -6.827   9.182
   29   1HG   LYS   5          1HG       LYS   5   4.635  -7.095  11.757
   30   2HG   LYS   5          2HG       LYS   5   4.766  -8.862  11.497
   31   1HD   LYS   5          1HD       LYS   5   7.049  -8.472  10.410
   32   2HD   LYS   5          2HD       LYS   5   6.930  -6.757  10.947
   33   1HE   LYS   5          1HE       LYS   5   6.621  -7.593  13.351
   34   2HE   LYS   5          2HE       LYS   5   6.861  -9.283  12.750
   35   1HZ   LYS   5          1HZ       LYS   5   8.872  -8.406  13.611
   36   2HZ   LYS   5          2HZ       LYS   5   8.808  -7.040  12.606
   37   3HZ   LYS   5          3HZ       LYS   5   9.037  -8.582  11.929
   38    H    SER   6           H        SER   6   0.801  -8.572   8.929
   39    HA   SER   6           HA       SER   6   1.003  -8.585   6.169
   40   1HB   SER   6          1HB       SER   6  -1.591  -8.346   7.803
   41   2HB   SER   6          2HB       SER   6  -1.480  -8.800   6.060
   42    HG   SER   6           HG       SER   6  -1.596 -10.648   7.139
   43    H    ALA   7           H        ALA   7   0.629  -7.181   4.478
   44    HA   ALA   7           HA       ALA   7  -0.652  -4.595   5.053
   45   1HB   ALA   7          1HB       ALA   7   1.858  -4.347   4.891
   46   2HB   ALA   7          2HB       ALA   7   1.064  -3.620   3.444
   47   3HB   ALA   7          3HB       ALA   7   1.840  -5.262   3.344
   48    H    CYS   8           H        CYS   8  -1.629  -3.679   3.127
   49    HA   CYS   8           HA       CYS   8  -2.149  -5.653   0.981
   50   1HB   CYS   8          1HB       CYS   8  -4.145  -5.496   2.376
   51   2HB   CYS   8          2HB       CYS   8  -4.191  -3.717   2.177
   52    H    CYS   9           H        CYS   9  -1.443  -4.963  -0.978
   53    HA   CYS   9           HA       CYS   9  -1.355  -2.040  -1.450
   54   1HB   CYS   9          1HB       CYS   9   0.753  -4.218  -1.865
   55   2HB   CYS   9          2HB       CYS   9   0.866  -2.616  -2.673
   56    H    ASP  10           H        ASP  10  -2.813  -1.741  -3.158
   57    HA   ASP  10           HA       ASP  10  -3.234  -3.850  -5.044
   58   1HB   ASP  10          1HB       ASP  10  -4.297  -1.057  -4.557
   59   2HB   ASP  10          2HB       ASP  10  -4.294  -1.555  -6.238
   60    HD2  ASP  10           HD2      ASP  10  -5.347  -2.567  -3.083
   61    H    THR  11           H        THR  11  -1.049  -1.171  -4.917
   62    HA   THR  11           HA       THR  11   0.465  -2.251  -7.150
   63    HB   THR  11           HB       THR  11  -0.406   0.693  -7.083
   64    HG1  THR  11           HG1      THR  11  -1.389   0.226  -9.029
   65   1HG2  THR  11          1HG2      THR  11   1.959   0.360  -7.927
   66   2HG2  THR  11          2HG2      THR  11   0.866   0.779  -9.265
   67   3HG2  THR  11          3HG2      THR  11   1.366  -0.940  -9.037
   68    H    CYS  12           H        CYS  12   2.154  -2.619  -6.046
   69    HA   CYS  12           HA       CYS  12   3.392  -0.751  -4.200
   70   1HB   CYS  12          1HB       CYS  12   3.448  -3.187  -3.722
   71   2HB   CYS  12          2HB       CYS  12   4.319  -3.461  -5.292
   72    H    LEU  13           H        LEU  13   4.522   0.992  -5.000
   73    HA   LEU  13           HA       LEU  13   6.040   0.681  -7.479
   74   1HB   LEU  13          1HB       LEU  13   4.731   2.687  -7.204
   75   2HB   LEU  13          2HB       LEU  13   5.509   3.068  -5.639
   76    HG   LEU  13           HG       LEU  13   7.247   2.735  -8.138
   77   1HD1  LEU  13          1HD1      LEU  13   5.263   4.076  -8.868
   78   2HD1  LEU  13          2HD1      LEU  13   6.776   5.065  -8.840
   79   3HD1  LEU  13          3HD1      LEU  13   5.558   5.237  -7.524
   80   1HD2  LEU  13          1HD2      LEU  13   8.522   4.636  -7.102
   81   2HD2  LEU  13          2HD2      LEU  13   8.354   3.297  -5.911
   82   3HD2  LEU  13          3HD2      LEU  13   7.304   4.754  -5.784
   83    H    CYS  14           H        CYS  14   8.221   0.500  -7.455
   84    HA   CYS  14           HA       CYS  14   9.700   0.917  -4.989
   85   1HB   CYS  14          1HB       CYS  14   9.681  -1.583  -6.750
   86   2HB   CYS  14          2HB       CYS  14  11.105  -1.168  -5.782
   87    H    THR  15           H        THR  15  11.699   1.631  -5.264
   88    HA   THR  15           HA       THR  15  12.161   2.888  -7.840
   89    HB   THR  15           HB       THR  15  13.976   4.068  -6.805
   90    HG1  THR  15           HG1      THR  15  14.118   3.857  -4.497
   91   1HG2  THR  15          1HG2      THR  15  11.406   3.991  -5.056
   92   2HG2  THR  15          2HG2      THR  15  11.597   4.870  -6.613
   93   3HG2  THR  15          3HG2      THR  15  12.569   5.356  -5.177
   94    H    ARG  16           H        ARG  16  14.023   2.770  -9.059
   95    HA   ARG  16           HA       ARG  16  15.540   0.281  -8.946
   96   1HB   ARG  16          1HB       ARG  16  15.681   2.685 -10.860
   97   2HB   ARG  16          2HB       ARG  16  16.591   1.143 -11.050
   98   1HG   ARG  16          1HG       ARG  16  14.501  -0.127 -11.230
   99   2HG   ARG  16          2HG       ARG  16  13.518   1.366 -11.021
  100   1HD   ARG  16          1HD       ARG  16  14.495   2.296 -13.178
  101   2HD   ARG  16          2HD       ARG  16  15.434   0.760 -13.376
  102    HE   ARG  16           HE       ARG  16  13.426  -0.436 -13.800
  103   1HH1  ARG  16          1HH1      ARG  16  12.647   2.970 -12.995
  104   2HH1  ARG  16          2HH1      ARG  16  10.955   2.776 -13.326
  105   1HH2  ARG  16          1HH2      ARG  16  11.173  -0.643 -14.213
  106   2HH2  ARG  16          2HH2      ARG  16  10.110   0.715 -14.021
  107    H    SER  17           H        SER  17  15.651   2.595  -6.964
  108    HA   SER  17           HA       SER  17  18.177   3.870  -7.124
  109   1HB   SER  17          1HB       SER  17  16.147   4.749  -5.832
  110   2HB   SER  17          2HB       SER  17  16.583   3.573  -4.542
  111    HG   SER  17           HG       SER  17  17.502   5.515  -4.066
  112    H    GLN  18           H        GLN  18  19.405   3.837  -4.874
  113    HA   GLN  18           HA       GLN  18  20.279   1.151  -4.160
  114   1HB   GLN  18          1HB       GLN  18  21.335   1.780  -6.387
  115   2HB   GLN  18          2HB       GLN  18  22.087   3.179  -5.581
  116   1HG   GLN  18          1HG       GLN  18  23.132   1.438  -3.910
  117   2HG   GLN  18          2HG       GLN  18  22.586   0.158  -5.048
  118   1HE2  GLN  18          1HE2      GLN  18  25.177   2.058  -4.195
  119   2HE2  GLN  18          2HE2      GLN  18  26.053   2.095  -5.709
  120    HA   PRO  19           HA       PRO  19  20.047   0.480  -2.164
  121   1HB   PRO  19          1HB       PRO  19  18.975   0.751   0.386
  122   2HB   PRO  19          2HB       PRO  19  20.773   0.593   0.091
  123   1HG   PRO  19          1HG       PRO  19  19.184   3.186   0.482
  124   2HG   PRO  19          2HG       PRO  19  20.672   2.632   1.357
  125   1HD   PRO  19          1HD       PRO  19  20.800   4.312  -0.854
  126   2HD   PRO  19          2HD       PRO  19  22.065   3.038  -0.557
  127    HA   PRO  20           HA       PRO  20  16.098   1.513  -3.631
  128   1HB   PRO  20          1HB       PRO  20  14.616  -0.790  -3.334
  129   2HB   PRO  20          2HB       PRO  20  16.156  -0.787  -4.279
  130   1HG   PRO  20          1HG       PRO  20  15.798  -1.523  -1.321
  131   2HG   PRO  20          2HG       PRO  20  16.535  -2.548  -2.621
  132   1HD   PRO  20          1HD       PRO  20  18.080  -0.951  -0.971
  133   2HD   PRO  20          2HD       PRO  20  18.471  -1.127  -2.753
  134    H    THR  21           H        THR  21  13.713   1.582  -3.264
  135    HA   THR  21           HA       THR  21  12.835   2.039  -0.488
  136    HB   THR  21           HB       THR  21  12.984   4.157  -2.735
  137    HG1  THR  21           HG1      THR  21  14.414   4.033  -0.266
  138   1HG2  THR  21          1HG2      THR  21  12.290   5.787  -0.972
  139   2HG2  THR  21          2HG2      THR  21  12.080   4.441   0.210
  140   3HG2  THR  21          3HG2      THR  21  11.027   4.559  -1.266
  141    H    CYS  22           H        CYS  22  10.513   1.948  -0.407
  142    HA   CYS  22           HA       CYS  22   9.101   1.780  -2.972
  143   1HB   CYS  22          1HB       CYS  22   9.005  -0.441  -0.834
  144   2HB   CYS  22          2HB       CYS  22   8.016  -0.411  -2.283
  145    H    ARG  23           H        ARG  23   6.772   1.517  -2.646
  146    HA   ARG  23           HA       ARG  23   5.503   2.377  -0.271
  147   1HB   ARG  23          1HB       ARG  23   6.746   4.451  -0.653
  148   2HB   ARG  23          2HB       ARG  23   6.288   4.480  -2.378
  149   1HG   ARG  23          1HG       ARG  23   4.186   4.736  -0.135
  150   2HG   ARG  23          2HG       ARG  23   5.197   6.115  -0.660
  151   1HD   ARG  23          1HD       ARG  23   4.423   5.760  -3.077
  152   2HD   ARG  23          2HD       ARG  23   3.251   4.544  -2.457
  153    HE   ARG  23           HE       ARG  23   1.889   6.201  -1.730
  154   1HH1  ARG  23          1HH1      ARG  23   5.097   7.730  -2.212
  155   2HH1  ARG  23          2HH1      ARG  23   4.443   9.310  -2.416
  156   1HH2  ARG  23          1HH2      ARG  23   1.060   8.207  -2.031
  157   2HH2  ARG  23          2HH2      ARG  23   2.044   9.617  -2.282
  158    H    CYS  24           H        CYS  24   3.369   1.981  -0.532
  159    HA   CYS  24           HA       CYS  24   2.597   0.855  -3.114
  160   1HB   CYS  24          1HB       CYS  24   1.184   0.793  -0.406
  161   2HB   CYS  24          2HB       CYS  24   0.586   0.007  -1.901
  162    H    VAL  25           H        VAL  25   2.048   2.288  -4.596
  163    HA   VAL  25           HA       VAL  25   1.110   4.854  -3.955
  164    HB   VAL  25           HB       VAL  25   1.019   5.255  -6.387
  165   1HG1  VAL  25          1HG1      VAL  25   2.960   5.760  -4.947
  166   2HG1  VAL  25          2HG1      VAL  25   3.515   5.183  -6.558
  167   3HG1  VAL  25          3HG1      VAL  25   3.581   4.075  -5.135
  168   1HG2  VAL  25          1HG2      VAL  25   0.578   2.941  -7.287
  169   2HG2  VAL  25          2HG2      VAL  25   2.158   2.370  -6.621
  170   3HG2  VAL  25          3HG2      VAL  25   2.109   3.613  -7.905
  171    H    ASP  26           H        ASP  26  -0.553   2.003  -5.110
  172    HA   ASP  26           HA       ASP  26  -2.900   3.661  -5.651
  173   1HB   ASP  26          1HB       ASP  26  -2.326   1.868  -7.252
  174   2HB   ASP  26          2HB       ASP  26  -2.693   0.625  -6.001
  175    HD2  ASP  26           HD2      ASP  26  -5.743   2.969  -7.314
  176    H    VAL  27           H        VAL  27  -4.593   3.923  -4.462
  177    HA   VAL  27           HA       VAL  27  -4.469   3.381  -1.745
  178    HB   VAL  27           HB       VAL  27  -6.558   4.485  -1.474
  179   1HG1  VAL  27          1HG1      VAL  27  -4.441   5.780  -1.946
  180   2HG1  VAL  27          2HG1      VAL  27  -5.941   6.634  -2.453
  181   3HG1  VAL  27          3HG1      VAL  27  -4.895   5.856  -3.688
  182   1HG2  VAL  27          1HG2      VAL  27  -7.922   5.247  -3.377
  183   2HG2  VAL  27          2HG2      VAL  27  -7.862   3.453  -3.318
  184   3HG2  VAL  27          3HG2      VAL  27  -6.877   4.343  -4.543
  185    H    ARG  28           H        ARG  28  -6.053   2.557  -0.338
  186    HA   ARG  28           HA       ARG  28  -7.311   0.070  -1.255
  187   1HB   ARG  28          1HB       ARG  28  -6.394  -1.049   0.816
  188   2HB   ARG  28          2HB       ARG  28  -5.173  -0.686  -0.405
  189   1HG   ARG  28          1HG       ARG  28  -5.586   1.283   1.872
  190   2HG   ARG  28          2HG       ARG  28  -4.759  -0.277   2.155
  191   1HD   ARG  28          1HD       ARG  28  -3.036   0.230   0.423
  192   2HD   ARG  28          2HD       ARG  28  -3.814   1.790   0.060
  193    HE   ARG  28           HE       ARG  28  -3.186   2.684   2.143
  194   1HH1  ARG  28          1HH1      ARG  28  -2.221  -0.805   2.082
  195   2HH1  ARG  28          2HH1      ARG  28  -1.410  -0.679   3.600
  196   1HH2  ARG  28          1HH2      ARG  28  -2.097   2.723   4.171
  197   2HH2  ARG  28          2HH2      ARG  28  -1.332   1.283   4.771
  198    H    GLU  29           H        GLU  29  -8.472  -0.899   0.801
  199    HA   GLU  29           HA       GLU  29 -10.541   0.758   1.629
  200   1HB   GLU  29          1HB       GLU  29  -9.333  -1.897   2.412
  201   2HB   GLU  29          2HB       GLU  29 -10.563  -1.228   3.519
  202   1HG   GLU  29          1HG       GLU  29 -10.973  -1.734   0.492
  203   2HG   GLU  29          2HG       GLU  29 -11.545  -2.831   1.802
  204    HE2  GLU  29           HE2      GLU  29 -12.783  -1.826   3.369
  205    H    SER  30           H        SER  30  -7.656  -0.212   3.442
  206    HA   SER  30           HA       SER  30  -7.987   1.961   5.338
  207   1HB   SER  30          1HB       SER  30  -8.479  -0.990   6.119
  208   2HB   SER  30          2HB       SER  30  -8.105   0.273   7.344
  209    HG   SER  30           HG       SER  30 -10.331  -0.016   7.120
  210    H    CYS  31           H        CYS  31  -6.352   1.589   7.266
  211    HA   CYS  31           HA       CYS  31  -3.767   0.883   6.214
  212   1HB   CYS  31          1HB       CYS  31  -4.723   1.546   9.083
  213   2HB   CYS  31          2HB       CYS  31  -3.000   1.625   8.497
  214    H    HIS  32           H        HIS  32  -2.350  -0.756   7.464
  215    HA   HIS  32           HA       HIS  32  -3.986  -2.641   9.052
  216   1HB   HIS  32          1HB       HIS  32  -3.655  -3.255   6.531
  217   2HB   HIS  32          2HB       HIS  32  -1.982  -3.712   6.998
  218    HD1  HIS  32           HD1      HIS  32  -5.620  -4.274   7.626
  219    HD2  HIS  32           HD2      HIS  32  -2.049  -6.308   8.387
  220    HE1  HIS  32           HE1      HIS  32  -6.258  -6.530   8.452
  221    HE2  HIS  32           HE2      HIS  32  -4.066  -7.793   8.887
  222    H    SER  33           H        SER  33  -0.552  -2.077   8.031
  223    HA   SER  33           HA       SER  33   0.257  -2.308  10.796
  224   1HB   SER  33          1HB       SER  33   1.033  -4.434   8.687
  225   2HB   SER  33          2HB       SER  33   1.971  -4.196  10.205
  226    HG   SER  33           HG       SER  33   0.000  -4.626  11.349
  227    H    ALA  34           H        ALA  34   1.897  -2.589   7.528
  228    HA   ALA  34           HA       ALA  34   4.167  -1.511   8.901
  229   1HB   ALA  34          1HB       ALA  34   4.322  -3.640   7.610
  230   2HB   ALA  34          2HB       ALA  34   5.416  -2.397   6.902
  231   3HB   ALA  34          3HB       ALA  34   3.839  -2.764   6.109
  232    H    CYS  35           H        CYS  35   2.283   0.417   8.458
  233    HA   CYS  35           HA       CYS  35   3.958   2.299   6.908
  234   1HB   CYS  35          1HB       CYS  35   1.717   1.727   5.855
  235   2HB   CYS  35          2HB       CYS  35   0.922   2.468   7.293
  236    H    ASP  36           H        ASP  36   4.318   4.377   7.813
  237    HA   ASP  36           HA       ASP  36   3.520   4.743  10.614
  238   1HB   ASP  36          1HB       ASP  36   5.097   6.642  10.652
  239   2HB   ASP  36          2HB       ASP  36   5.880   5.086  10.220
  240    HD2  ASP  36           HD2      ASP  36   7.157   7.747   8.084
  241    H    LYS  37           H        LYS  37   3.595   6.719   7.630
  242    HA   LYS  37           HA       LYS  37   1.396   8.352   8.569
  243   1HB   LYS  37          1HB       LYS  37   3.610   9.287   7.682
  244   2HB   LYS  37          2HB       LYS  37   3.156   8.642   6.089
  245   1HG   LYS  37          1HG       LYS  37   2.650  10.981   6.114
  246   2HG   LYS  37          2HG       LYS  37   1.106  10.084   6.077
  247   1HD   LYS  37          1HD       LYS  37   0.778  10.518   8.523
  248   2HD   LYS  37          2HD       LYS  37   2.379  11.335   8.608
  249   1HE   LYS  37          1HE       LYS  37   1.575  13.102   7.011
  250   2HE   LYS  37          2HE       LYS  37  -0.027  12.274   6.903
  251   1HZ   LYS  37          1HZ       LYS  37   1.200  13.498   9.317
  252   2HZ   LYS  37          2HZ       LYS  37  -0.237  12.591   9.310
  253   3HZ   LYS  37          3HZ       LYS  37  -0.144  14.043   8.435
  254    H    CYS  38           H        CYS  38   0.091   6.219   8.312
  255    HA   CYS  38           HA       CYS  38  -1.040   5.966   5.651
  256   1HB   CYS  38          1HB       CYS  38  -0.697   4.009   7.201
  257   2HB   CYS  38          2HB       CYS  38  -1.824   4.782   8.369
  258    H    VAL  39           H        VAL  39  -2.325   7.617   4.958
  259    HA   VAL  39           HA       VAL  39  -3.977   9.031   6.940
  260    HB   VAL  39           HB       VAL  39  -3.065   9.621   4.104
  261   1HG1  VAL  39          1HG1      VAL  39  -3.933  11.926   4.579
  262   2HG1  VAL  39          2HG1      VAL  39  -4.659  11.323   6.118
  263   3HG1  VAL  39          3HG1      VAL  39  -5.250  10.704   4.513
  264   1HG2  VAL  39          1HG2      VAL  39  -2.236  10.771   6.845
  265   2HG2  VAL  39          2HG2      VAL  39  -1.744  11.462   5.255
  266   3HG2  VAL  39          3HG2      VAL  39  -1.186   9.807   5.730
  267    H    CYS  40           H        CYS  40  -6.272   8.997   6.540
  268    HA   CYS  40           HA       CYS  40  -7.231   7.346   4.337
  269   1HB   CYS  40          1HB       CYS  40  -6.685   6.395   6.904
  270   2HB   CYS  40          2HB       CYS  40  -8.353   6.918   7.101
  271    H    ALA  41           H        ALA  41  -9.586   7.510   4.243
  272    HA   ALA  41           HA       ALA  41 -10.952   9.591   5.716
  273   1HB   ALA  41          1HB       ALA  41 -10.158  10.030   2.770
  274   2HB   ALA  41          2HB       ALA  41  -9.549  10.990   4.167
  275   3HB   ALA  41          3HB       ALA  41 -11.289  11.094   3.716
  276    H    TYR  42           H        TYR  42 -13.034   9.718   5.346
  277    HA   TYR  42           HA       TYR  42 -14.231   7.280   4.694
  278   1HB   TYR  42          1HB       TYR  42 -16.179   8.327   5.938
  279   2HB   TYR  42          2HB       TYR  42 -14.595   8.444   6.791
  280    HD1  TYR  42           HD1      TYR  42 -13.534  10.644   7.202
  281    HD2  TYR  42           HD2      TYR  42 -17.123  10.391   4.810
  282    HE1  TYR  42           HE1      TYR  42 -13.807  13.077   7.321
  283    HE2  TYR  42           HE2      TYR  42 -17.369  12.818   4.934
  284    HH   TYR  42           HH       TYR  42 -16.520  14.770   5.686
  285    H    SER  43           H        SER  43 -13.428   9.000   2.547
  286    HA   SER  43           HA       SER  43 -15.438  10.159   1.022
  287   1HB   SER  43          1HB       SER  43 -12.894   8.776  -0.002
  288   2HB   SER  43          2HB       SER  43 -13.790  10.151  -0.793
  289    HG   SER  43           HG       SER  43 -11.901  10.783   0.375
  290    H    ASN  44           H        ASN  44 -15.433   9.254  -1.508
  291    HA   ASN  44           HA       ASN  44 -16.317   6.481  -1.496
  292   1HB   ASN  44          1HB       ASN  44 -18.181   8.050  -0.925
  293   2HB   ASN  44          2HB       ASN  44 -17.982   8.857  -2.496
  294   1HD2  ASN  44          1HD2      ASN  44 -18.214   7.246  -4.493
  295   2HD2  ASN  44          2HD2      ASN  44 -19.282   5.908  -4.297
  296    HA   PRO  45           HA       PRO  45 -15.461   4.920  -2.438
  297   1HB   PRO  45          1HB       PRO  45 -13.232   3.717  -3.495
  298   2HB   PRO  45          2HB       PRO  45 -14.726   3.853  -4.442
  299   1HG   PRO  45          1HG       PRO  45 -12.318   5.764  -4.533
  300   2HG   PRO  45          2HG       PRO  45 -13.116   4.948  -5.924
  301   1HD   PRO  45          1HD       PRO  45 -13.783   7.530  -5.144
  302   2HD   PRO  45          2HD       PRO  45 -15.030   6.373  -5.802
  303    HA   PRO  46           HA       PRO  46 -13.041   6.491   0.743
  304   1HB   PRO  46          1HB       PRO  46 -12.188   4.336   2.247
  305   2HB   PRO  46          2HB       PRO  46 -13.939   4.755   2.068
  306   1HG   PRO  46          1HG       PRO  46 -12.356   2.711   0.408
  307   2HG   PRO  46          2HG       PRO  46 -13.922   2.480   1.313
  308   1HD   PRO  46          1HD       PRO  46 -13.844   3.061  -1.389
  309   2HD   PRO  46          2HD       PRO  46 -15.131   3.848  -0.264
  310    H    GLN  47           H        GLN  47 -10.894   6.935   1.608
  311    HA   GLN  47           HA       GLN  47  -8.856   6.216  -0.434
  312   1HB   GLN  47          1HB       GLN  47  -9.081   8.776   1.248
  313   2HB   GLN  47          2HB       GLN  47  -7.810   8.399   0.036
  314   1HG   GLN  47          1HG       GLN  47  -9.498   8.381  -1.793
  315   2HG   GLN  47          2HG       GLN  47 -10.821   8.667  -0.609
  316   1HE2  GLN  47          1HE2      GLN  47  -7.845  10.084  -2.005
  317   2HE2  GLN  47          2HE2      GLN  47  -8.309  11.741  -1.728
  318    H    CYS  48           H        CYS  48  -7.082   5.201   0.390
  319    HA   CYS  48           HA       CYS  48  -6.124   6.067   2.937
  320   1HB   CYS  48          1HB       CYS  48  -7.841   3.876   2.955
  321   2HB   CYS  48          2HB       CYS  48  -6.264   3.081   2.757
  322    H    GLN  49           H        GLN  49  -4.030   6.310   2.701
  323    HA   GLN  49           HA       GLN  49  -2.616   4.641   0.770
  324   1HB   GLN  49          1HB       GLN  49  -3.475   6.770  -0.340
  325   2HB   GLN  49          2HB       GLN  49  -2.606   7.708   0.871
  326   1HG   GLN  49          1HG       GLN  49  -0.391   6.837   0.021
  327   2HG   GLN  49          2HG       GLN  49  -1.255   5.715  -1.091
  328   1HE2  GLN  49          1HE2      GLN  49  -1.685   9.286  -0.415
  329   2HE2  GLN  49          2HE2      GLN  49  -1.509   9.734  -2.079
  330    H    CYS  50           H        CYS  50  -0.595   4.122   1.380
  331    HA   CYS  50           HA       CYS  50   0.468   5.307   3.847
  332   1HB   CYS  50          1HB       CYS  50   0.764   2.788   3.347
  333   2HB   CYS  50          2HB       CYS  50   1.772   3.250   1.948
  334    H    TYR  51           H        TYR  51   0.785   7.367   3.382
  335    HA   TYR  51           HA       TYR  51   1.738   8.481   0.998
  336   1HB   TYR  51          1HB       TYR  51   1.287   9.455   3.836
  337   2HB   TYR  51          2HB       TYR  51   2.381  10.446   2.842
  338    HD1  TYR  51           HD1      TYR  51   1.526  11.725   0.872
  339    HD2  TYR  51           HD2      TYR  51  -1.099   9.025   2.998
  340    HE1  TYR  51           HE1      TYR  51  -0.357  12.687  -0.233
  341    HE2  TYR  51           HE2      TYR  51  -3.002  10.011   1.857
  342    HH   TYR  51           HH       TYR  51  -2.673  12.718  -0.438
  343    H    ASP  52           H        ASP  52   3.518   7.376   3.753
  344    HA   ASP  52           HA       ASP  52   5.931   8.705   2.689
  345   1HB   ASP  52          1HB       ASP  52   5.249   9.038   5.136
  346   2HB   ASP  52          2HB       ASP  52   5.668   7.296   5.402
  347    HD2  ASP  52           HD2      ASP  52   8.898   8.300   5.949
  348    H    THR  53           H        THR  53   7.876   7.711   2.280
  349    HA   THR  53           HA       THR  53   7.689   5.069   1.243
  350    HB   THR  53           HB       THR  53  10.147   5.439   0.713
  351    HG1  THR  53           HG1      THR  53  10.815   6.912   2.111
  352   1HG2  THR  53          1HG2      THR  53   8.383   5.938  -0.951
  353   2HG2  THR  53          2HG2      THR  53   9.674   7.178  -1.029
  354   3HG2  THR  53          3HG2      THR  53   8.109   7.565  -0.236
  355    H    HIS  54           H        HIS  54   8.761   3.179   1.829
  356    HA   HIS  54           HA       HIS  54  10.808   3.315   3.757
  357   1HB   HIS  54          1HB       HIS  54   8.316   1.604   4.435
  358   2HB   HIS  54          2HB       HIS  54   9.913   1.509   5.285
  359    HD1  HIS  54           HD1      HIS  54   6.782   2.701   5.782
  360    HD2  HIS  54           HD2      HIS  54  10.583   4.316   6.491
  361    HE1  HIS  54           HE1      HIS  54   6.521   4.403   7.588
  362    HE2  HIS  54           HE2      HIS  54   8.855   5.365   8.025
  363    H    LYS  55           H        LYS  55  10.520   0.120   3.828
  364    HA   LYS  55           HA       LYS  55  11.252  -0.262   1.044
  365   1HB   LYS  55          1HB       LYS  55  12.472  -2.166   1.892
  366   2HB   LYS  55          2HB       LYS  55  12.774  -0.776   2.966
  367   1HG   LYS  55          1HG       LYS  55  11.050  -1.710   4.597
  368   2HG   LYS  55          2HG       LYS  55  10.902  -3.159   3.550
  369   1HD   LYS  55          1HD       LYS  55  13.285  -3.672   3.861
  370   2HD   LYS  55          2HD       LYS  55  13.553  -2.115   4.725
  371   1HE   LYS  55          1HE       LYS  55  12.010  -2.852   6.572
  372   2HE   LYS  55          2HE       LYS  55  11.770  -4.437   5.727
  373   1HZ   LYS  55          1HZ       LYS  55  13.482  -4.574   7.401
  374   2HZ   LYS  55          2HZ       LYS  55  14.364  -3.314   6.686
  375   3HZ   LYS  55          3HZ       LYS  55  14.161  -4.781   5.862
  376    H    PHE  56           H        PHE  56   8.450  -0.707   2.873
  377    HA   PHE  56           HA       PHE  56   8.169  -3.499   2.362
  378   1HB   PHE  56          1HB       PHE  56   7.126  -2.013   4.411
  379   2HB   PHE  56          2HB       PHE  56   5.698  -2.018   3.326
  380    HD1  PHE  56           HD1      PHE  56   4.307  -3.995   3.421
  381    HD2  PHE  56           HD2      PHE  56   8.365  -4.201   4.855
  382    HE1  PHE  56           HE1      PHE  56   3.853  -6.202   4.412
  383    HE2  PHE  56           HE2      PHE  56   7.914  -6.415   5.808
  384    HZ   PHE  56           HZ       PHE  56   5.652  -7.428   5.605
  385    H    CYS  57           H        CYS  57   6.569  -4.662   1.225
  386    HA   CYS  57           HA       CYS  57   5.188  -3.324  -0.939
  387   1HB   CYS  57          1HB       CYS  57   7.715  -3.568  -1.488
  388   2HB   CYS  57          2HB       CYS  57   7.483  -5.333  -1.393
  389    H    TYR  58           H        TYR  58   3.374  -4.510  -1.404
  390    HA   TYR  58           HA       TYR  58   3.455  -7.403  -0.857
  391   1HB   TYR  58          1HB       TYR  58   2.136  -5.392   0.670
  392   2HB   TYR  58          2HB       TYR  58   0.826  -6.098  -0.336
  393    HD1  TYR  58           HD1      TYR  58   3.581  -6.896   2.039
  394    HD2  TYR  58           HD2      TYR  58  -0.028  -8.335   0.185
  395    HE1  TYR  58           HE1      TYR  58   3.504  -8.743   3.627
  396    HE2  TYR  58           HE2      TYR  58  -0.078 -10.212   1.711
  397    HH   TYR  58           HH       TYR  58   0.995 -11.314   3.396
  398    H    LYS  59           H        LYS  59   1.940  -8.585  -1.805
  399    HA   LYS  59           HA       LYS  59   0.678  -8.128  -4.279
  400   1HB   LYS  59          1HB       LYS  59   0.126 -10.085  -2.003
  401   2HB   LYS  59          2HB       LYS  59  -0.689 -10.150  -3.593
  402   1HG   LYS  59          1HG       LYS  59   1.489 -10.470  -4.755
  403   2HG   LYS  59          2HG       LYS  59   2.382 -10.320  -3.217
  404   1HD   LYS  59          1HD       LYS  59   1.115 -12.310  -2.312
  405   2HD   LYS  59          2HD       LYS  59   0.426 -12.564  -3.963
  406   1HE   LYS  59          1HE       LYS  59   2.705 -12.866  -4.913
  407   2HE   LYS  59          2HE       LYS  59   3.447 -12.373  -3.337
  408   1HZ   LYS  59          1HZ       LYS  59   3.488 -14.723  -3.601
  409   2HZ   LYS  59          2HZ       LYS  59   1.803 -14.797  -3.821
  410   3HZ   LYS  59          3HZ       LYS  59   2.448 -14.306  -2.323
  411    H    ALA  60           H        ALA  60  -1.735  -8.222  -4.620
  412    HA   ALA  60           HA       ALA  60  -3.049  -6.238  -2.938
  413   1HB   ALA  60          1HB       ALA  60  -4.798  -6.330  -4.712
  414   2HB   ALA  60          2HB       ALA  60  -3.891  -7.693  -5.495
  415   3HB   ALA  60          3HB       ALA  60  -3.148  -6.060  -5.414
  416    H    CYS  61           H        CYS  61  -4.614  -6.684  -1.527
  417    HA   CYS  61           HA       CYS  61  -4.807  -9.433  -0.723
  418   1HB   CYS  61          1HB       CYS  61  -5.720  -8.531   1.383
  419   2HB   CYS  61          2HB       CYS  61  -4.258  -7.631   0.881
  420    H    HIS  62           H        HIS  62  -6.359  -8.717  -3.123
  421    HA   HIS  62           HA       HIS  62  -9.137  -8.624  -2.276
  422   1HB   HIS  62          1HB       HIS  62  -8.021  -9.292  -5.055
  423   2HB   HIS  62          2HB       HIS  62  -9.734  -9.116  -4.652
  424    HD1  HIS  62           HD1      HIS  62  -9.606  -7.384  -6.562
  425    HD2  HIS  62           HD2      HIS  62  -7.721  -6.206  -3.007
  426    HE1  HIS  62           HE1      HIS  62  -9.334  -4.881  -6.665
  427    HE2  HIS  62           HE2      HIS  62  -8.189  -4.192  -4.508
  428    H    ASN  63           H        ASN  63  -6.916 -11.270  -3.411
  429    HA   ASN  63           HA       ASN  63  -8.150 -13.334  -2.292
  430   1HB   ASN  63          1HB       ASN  63  -9.089 -14.471  -4.420
  431   2HB   ASN  63          2HB       ASN  63 -10.043 -13.135  -3.776
  432   1HD2  ASN  63          1HD2      ASN  63  -7.340 -13.493  -6.338
  433   2HD2  ASN  63          2HD2      ASN  63  -8.154 -12.386  -7.376
  434    H    SER  64           H        SER  64  -7.138 -15.341  -3.648
  435    HA   SER  64           HA       SER  64  -4.346 -14.961  -3.704
  436   1HB   SER  64          1HB       SER  64  -5.618 -17.164  -3.338
  437   2HB   SER  64          2HB       SER  64  -5.805 -17.244  -5.125
  438    HG   SER  64           HG       SER  64  -3.965 -18.371  -4.382
  439    H    GLU  65           H        GLU  65  -3.033 -15.819  -5.800
  440    HA   GLU  65           HA       GLU  65  -2.923 -13.402  -7.161
  441   1HB   GLU  65          1HB       GLU  65  -1.461 -15.947  -8.043
  442   2HB   GLU  65          2HB       GLU  65  -1.117 -14.277  -8.542
  443   1HG   GLU  65          1HG       GLU  65   0.537 -14.755  -6.917
  444   2HG   GLU  65          2HG       GLU  65  -0.646 -13.709  -6.054
  445    HE2  GLU  65           HE2      GLU  65  -0.420 -16.088  -3.579
  446    H    ILE  66           H        ILE  66  -3.904 -16.566  -8.527
  447    HA   ILE  66           HA       ILE  66  -5.205 -15.135 -10.698
  448    HB   ILE  66           HB       ILE  66  -4.019 -17.061 -11.290
  449   1HG1  ILE  66          1HG1      ILE  66  -7.068 -17.150 -11.749
  450   2HG1  ILE  66          2HG1      ILE  66  -5.887 -16.046 -12.532
  451   1HG2  ILE  66          1HG2      ILE  66  -4.639 -19.299 -10.891
  452   2HG2  ILE  66          2HG2      ILE  66  -6.152 -18.889 -10.044
  453   3HG2  ILE  66          3HG2      ILE  66  -4.536 -18.554  -9.273
  454   1HD1  ILE  66          1HD1      ILE  66  -6.385 -17.876 -14.092
  455   2HD1  ILE  66          2HD1      ILE  66  -6.032 -19.116 -12.840
  456   3HD1  ILE  66          3HD1      ILE  66  -4.700 -18.096 -13.489
  457    H    GLU  67           H        GLU  67  -6.607 -17.613  -8.406
  458    HA   GLU  67           HA       GLU  67  -8.727 -15.740  -7.774
  459   1HB   GLU  67          1HB       GLU  67  -9.008 -18.680  -8.644
  460   2HB   GLU  67          2HB       GLU  67 -10.308 -17.759  -7.799
  461   1HG   GLU  67          1HG       GLU  67 -10.555 -16.209  -9.713
  462   2HG   GLU  67          2HG       GLU  67  -9.135 -16.934 -10.552
  463    HE2  GLU  67           HE2      GLU  67 -12.639 -18.886 -10.514