*HEADER   HYDROLASE (PHOSPHORIC DIESTER)          15-SEP-95   2SOB    
*TITLE    SN-OB, OB-FOLD SUB-DOMAIN OF STAPHYLOCOCCAL NUCLEASE,       
*TITLE   2 NMR, 10 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: STAPHYLOCOCCAL NUCLEASE;                         
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 DOMAIN: OB-FOLD SUB-DOMAIN, RESIDUES 1 - 103;              
*COMPND  5 SYNONYM: SN-OB, STAPHYLOCOCCAL NUCLEASE OB-SUBDOMAIN;      
*COMPND  6 EC: 3.1.31.1;                                              
*COMPND  7 ENGINEERED: YES;                                           
*COMPND  8 MUTATION: V66L, G88V, DEL(104-109);                        
*COMPND  9 OTHER_DETAILS: 1 - 103 FRAGMENT OF THE 149 AMINO ACID      
*COMPND 10 STAPHYLOCOCCAL NUCLEASE CONTAINING THE "GLOBAL SUPPRESSOR" 
*COMPND 11 MUTATIONS V66L AND G88V                                    
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS;                
*SOURCE  3 STRAIN: FOGGI;                                             
*SOURCE  4 ATCC: 27355;                                               
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI HMS174 (DE3);          
*SOURCE  6 EXPRESSION_SYSTEM_PLASMID: PET11A T7;                      
*SOURCE  7 EXPRESSION_SYSTEM_GENE: STAPHYLOCOCCAL NUCLEASE            
*SOURCE  8 MUTANT/FRAGMENT                                            
*EXPDTA   NMR, 10 STRUCTURES                                          
*AUTHOR   A.T.ALEXANDRESCU,A.G.GITTIS,C.ABEYGUNAWARDANA,D.SHORTLE     
*REVDAT  1   07-DEC-95 2SOB    0                                      

***************************************************************************
*******the dihedral restraints table       rev_dihed.tbl*********************
***************************************************************************
!!!! PHI TORSIONAL (49 RESTRAINTS)
!
restraints dihedral
nassign=100
assign (resid 101 and name c) (resid 102 and name n) (resid 102 and name ca) (resid 102 and name c) 1 -60 20 2
assign (resid 100 and name c) (resid 101 and name n) (resid 101 and name ca) (resid 101 and name c) 1 -60 20 2
assign (resid 99 and name c) (resid 100 and name n) (resid 100 and name ca) (resid 100 and name c) 1 -60 20 2
assign (resid 93 and name c) (resid 94 and name n) (resid 94 and name ca) (resid 94 and name c) 1 -120 40 2
assign (resid 91 and name c) (resid 92 and name n) (resid 92 and name ca) (resid 92 and name c) 1 -120 40 2
assign (resid 90 and name c) (resid 91 and name n) (resid 91 and name ca) (resid 91 and name c) 1 -120 40 2
assign (resid 89 and name c) (resid 90 and name n) (resid 90 and name ca) (resid 90 and name c) 1 -120 40 2
assign (resid 88 and name c) (resid 89 and name n) (resid 89 and name ca) (resid 89 and name c) 1 -60 20 2
assign (resid 87 and name c) (resid 88 and name n) (resid 88 and name ca) (resid 88 and name c) 1 -120 40 2
assign (resid 83 and name c) (resid 84 and name n) (resid 84 and name ca) (resid 84 and name c) 1 -120 40 2
assign (resid 81 and name c) (resid 82 and name n) (resid 82 and name ca) (resid 82 and name c) 1 -120 40 2
assign (resid 79 and name c) (resid 80 and name n) (resid 80 and name ca) (resid 80 and name c) 1 -60 20 2
assign (resid 77 and name c) (resid 78 and name n) (resid 78 and name ca) (resid 78 and name c) 1 -60 20 2
assign (resid 74 and name c) (resid 75 and name n) (resid 75 and name ca) (resid 75 and name c) 1 -120 40 2
assign (resid 72 and name c) (resid 73 and name n) (resid 73 and name ca) (resid 73 and name c) 1 -120 40 2
assign (resid 71 and name c) (resid 72 and name n) (resid 72 and name ca) (resid 72 and name c) 1 -120 40 2
assign (resid 70 and name c) (resid 71 and name n) (resid 71 and name ca) (resid 71 and name c) 1 -120 40 2
assign (resid 69 and name c) (resid 70 and name n) (resid 70 and name ca) (resid 70 and name c) 1 -120 40 2
assign (resid 68 and name c) (resid 69 and name n) (resid 69 and name ca) (resid 69 and name c) 1 -60 20 2
assign (resid 67 and name c) (resid 68 and name n) (resid 68 and name ca) (resid 68 and name c) 1 -120 40 2
assign (resid 66 and name c) (resid 67 and name n) (resid 67 and name ca) (resid 67 and name c) 1 -60 20 2
assign (resid 63 and name c) (resid 64 and name n) (resid 64 and name ca) (resid 64 and name c) 1 -60 20 2
assign (resid 62 and name c) (resid 63 and name n) (resid 63 and name ca) (resid 63 and name c) 1 -60 20 2
assign (resid 61 and name c) (resid 62 and name n) (resid 62 and name ca) (resid 62 and name c) 1 -60 20 2
assign (resid 60 and name c) (resid 61 and name n) (resid 61 and name ca) (resid 61 and name c) 1 -60 20 2
assign (resid 59 and name c) (resid 60 and name n) (resid 60 and name ca) (resid 60 and name c) 1 -60 20 2
assign (resid 58 and name c) (resid 59 and name n) (resid 59 and name ca) (resid 59 and name c) 1 -60 20 2
assign (resid 50 and name c) (resid 51 and name n) (resid 51 and name ca) (resid 51 and name c) 1 -120 40 2
assign (resid 45 and name c) (resid 46 and name n) (resid 46 and name ca) (resid 46 and name c) 1 -120 40 2
assign (resid 44 and name c) (resid 45 and name n) (resid 45 and name ca) (resid 45 and name c) 1 -120 40 2
assign (resid 40 and name c) (resid 41 and name n) (resid 41 and name ca) (resid 41 and name c) 1 -120 40 2
assign (resid 39 and name c) (resid 40 and name n) (resid 40 and name ca) (resid 40 and name c) 1 -120 40 2
assign (resid 38 and name c) (resid 39 and name n) (resid 39 and name ca) (resid 39 and name c) 1 -60 20 2
assign (resid 36 and name c) (resid 37 and name n) (resid 37 and name ca) (resid 37 and name c) 1 -120 40 2
assign (resid 34 and name c) (resid 35 and name n) (resid 35 and name ca) (resid 35 and name c) 1 -120 40 2
assign (resid 31 and name c) (resid 32 and name n) (resid 32 and name ca) (resid 32 and name c) 1 -120 40 2
assign (resid 29 and name c) (resid 30 and name n) (resid 30 and name ca) (resid 30 and name c) 1 -120 40 2
assign (resid 26 and name c) (resid 27 and name n) (resid 27 and name ca) (resid 27 and name c) 1 -120 40 2
assign (resid 25 and name c) (resid 26 and name n) (resid 26 and name ca) (resid 26 and name c) 1 -120 40 2
assign (resid 24 and name c) (resid 25 and name n) (resid 25 and name ca) (resid 25 and name c) 1 -120 40 2
assign (resid 23 and name c) (resid 24 and name n) (resid 24 and name ca) (resid 24 and name c) 1 -120 40 2
assign (resid 22 and name c) (resid 23 and name n) (resid 23 and name ca) (resid 23 and name c) 1 -120 40 2
assign (resid 21 and name c) (resid 22 and name n) (resid 22 and name ca) (resid 22 and name c) 1 -120 40 2
assign (resid 14 and name c) (resid 15 and name n) (resid 15 and name ca) (resid 15 and name c) 1 -120 40 2
assign (resid 12 and name c) (resid 13 and name n) (resid 13 and name ca) (resid 13 and name c) 1 -120 40 2
assign (resid 11 and name c) (resid 12 and name n) (resid 12 and name ca) (resid 12 and name c) 1 -120 40 2
assign (resid 9 and name c) (resid 10 and name n) (resid 10 and name ca) (resid 10 and name c) 1 -120 40 2
assign (resid 7 and name c) (resid 8 and name n) (resid 8 and name ca) (resid 8 and name c) 1 -120 40 2
assign (resid 3 and name c) (resid 4 and name n) (resid 4 and name ca) (resid 4 and name c) 1 -120 40 2
end

***************************************************************************
*********************the NOE restraints table    rev_noe.tbl************
***************************************************************************
!proton and 15N chemical shift values for SN-OB: pH 4.7; temp = 32 oC
! 1H reference compound: TSP
! 15N reference compound: liquid ammonia [Levy & Lichter (1979) Nitrogen-15 Nuclear Magnetic !Resonanance spectroscopy , John Wiley & Sons, New York
!
!
!
!residue HN	N 	Ha	Hb		other
!
!A1						
!T2	7.95	118	4.36	4.74		gMe 1.20
!S3	8.47	120.8	4.59	3.87, 3.92	
!T4	8.27	118.7	4.37	4.64		gMe 1.23
!K5	8.22	125.7				
!K6	8.30	125	4.35	1.80		g 1.46; d 2.18
!L7	8.02	117.3	4.39	1.77		g 1.27; dMe1 0.90; d Me2 0.83
!H8	8.57	121	4.85	3.24, 3.16	d2 7.30; e1 8.62 
!K9	8.27	125.2	4.34	1.84, 1.77	g 1.45,1.41
!E10	8.53	126.2	4.62	1.96		g 2.34
!P11			5.00	2.37		g 2.02
!A12	8.16	122.3	5.04	1.40		
!T13	8.06	111.2	4.13	4.72		gMe 1.31
!L14	9.12	127.5	4.17	1.95		g 1.24; dMe 0.84
!I15	8.37	127.8	4.24	1.40		g 1.65; gMe 0.89; dMe 0.97
!K16	8.26	125.9	4.34	1.77		g 1.42
!A17	9.52	132.8	4.59	1.42		
!I18	7.99	127.7	3.88	1.60		g 1.84; gMe 0.85; dMe 1.09
!D19	8.21	120.1	4.53	3.05, 2.99	
!G20	8.49	105.6	3.84			
!D21	8.13	116.6	4.97	2.88, 2.58	
!T22	7.62	117.7	5.34	3.80		gMe 1.04
!V23	9.09	124.3	4.70	1.93		gMe 0.84
!K24	9.26	129.9	5.50	1.84		g 1.43; d 0.84; e 2.39
!L25	9.30	128.3	5.26	1.76, 1.55	g 1.46; dMe1 0.19; dMe2 0.79
!M26	9.47	123.9	4.87	2.30, 2.52	g 1.75
!Y27	9.11	132.3	5.01	3.24, 2.88	d 7.32; e 6.94
!K28	9.28	129.2	3.61	1.77		g 1.47
!G29	8.39	104.3	4.15, 3.59			
!Q30	7.91	121.7	5.06	2.16, 2.08	g 2.41; Nd 113.56; NHd1 7.48; NHd2 6.89
!P31			4.56	1.87		g 1.45; d 3.96"
!M32	8.98	125.1	5.06	2.42		g 2.11
!T33	8.26	119	4.64	4.36		gMe 1.52
!F34	9.30	127.7	5.27	2.70		d 6.91; e 6.52; z 6.45
!R35	8.99	124.2	5.31	1.56		g 1.42; d 2.69,3.11; Ne 86.88, NHe 7.21
!L36	8.53	127.2	4.43			g 1.65; dMe 0.80
!L37	7.49	127.5	4.15	1.09		g 1.48; dMe 0.99,0.55
!L38	9.41	127.8	4.64	2.19, 1.93	g 1.68; dME 0.75"
!V39	9.11	128.4	3.92	1.97		
!D40	8.44	123.1	4.36			
!T41	8.04	114.4	4.83	1.88		gMe 1.07
!P42			4.35	2.31		g 2.01; d 2.59
!E43	8.40	120.3	4.28	2.33		g 2.04
!T44	7.86	116	4.28	4.57		gMe 1.19
!K45	8.12	124.7	4.32	1.69		g 1.43
!H46	8.29	120.5	5.02	3.18		
!P47			4.57			
!K48	8.34	124.4	4.35	1.80		g 1.46; d 2.18"
!K49	8.49	124	4.34	1.81		g 1.48; d 2.32; e 3.02
!G50	8.47	112.8	4.01, 3.97			
!V51	7.96	120.8	4.16	2.11		gMe 0.94
!E52	8.49	126.1	4.29	1.96		g 2.29
!K53	8.13	123.7	4.25	1.70		g 1.38
!Y54	8.13	122	4.66	3.11, 2.97	d 7.11; e 6.81
!G55	8.26	112.4	4.17			
!P56			4.27	2.33		g 2.05; d 3.70
!E57	8.64	121.2	4.26	2.38		g 2.08
!A58	7.91	124.6	4.45	1.44		
!S59	8.12	115.6	4.23	3.94		
!A60	8.11	126	4.35	1.44		
!F61	8.09	121.7	4.28	3.22		d 7.27; e 7.40; z 7.33
!T62	8.18	117	3.71	4.08		gMe 1.20
!K63	7.66	122.8	3.72	1.80		g 1.23
!K64	7.75	118.5	3.98	1.95		g 1.32; d 0.82
!M65	7.52	118.1	4.27	2.06		g 2.43
!L66	8.20	120.1	3.94			dMe 0.91
!E67	8.52	119.6	3.88	2.07		g 2.52
!N68	7.57	115.6	4.76	2.86		"Ng 114.98, NHg1 7.68; NHg2 6.98
!A69	6.97	124.6	4.49	1.43		
!K70	10.09	127.1	4.42	2.06, 1.93	g 1.60
!K71	8.87	123.7	4.66	1.80		
!I72	8.92	130.9	5.25	1.86		g 1.56,1.45; gMe 0.69; dMe 0.91
!E73	8.84	125.8	5.31	1.84		g 2.02
!V74	9.59	119.3	5.18	1.48		gMe1 0.44; gMe2 0.30
!E75	9.02	127.3	5.00	2.28, 2.20	
!F76	8.55	124.4	5.04	3.29, 3.05	d 7.08, e 6.90
!D77	8.90	123.2	4.69	2.91, 2.61	
!K78	8.67	127.6	4.25	1.92		g 1.49
!G79	8.58	110	4.14, 3.85			
!Q80	7.75	121.6	4.28	2.15		g 2.34; Nd 113.95, NHd1 7.59; NHd2 7.01
!R81	8.41	124.6	4.48	1.85		g 2.29; d 3.03,3.22; Ne 86.96, NHe 7.28
!T82	8.11	117.7	4.34	4.72	 	gMe 1.23
!D83	8.44	122.1	4.66	2.74		
!K84	8.16	125.2	4.35	1.61		
!Y85	8.39	126.4	4.78	2.71, 2.61	d 7.06; e 6.82
!G86	8.12	110.6	4.17, 3.70			
!R87	8.46	122.4	4.34	1.81, 2.05	g 1.49,2.33; d 3.20,3.43, Ne 86.92, NHe 8.62
!V88	8.04	124	4.03	1.35		gMe1 0.55; gMe2 0.46
!L89	8.47	131.5	4.91	1.76		g 1.32; dMe 0.80,0.56
!A90	8.51	124.9	4.91	1.20		
!Y91	8.70	122	4.70	3.12, 2.74	d 7.02
!I92	8.61	124.5	4.91	1.47		g 1.55; gMe 0.75; dMe 0.82
!Y93	9.40	127.5	5.14	2.81, 2.45	d 6.67, e 6.69
!A94	9.27	127.7	5.05	1.18		
!D95	9.73	128.7	4.43	2.91, 1.22	
!G96	9.30	105.2	4.26, 3.66			
!K97	7.90	123.7	4.70	1.86		g 2.11, d 3.05
!M98	8.81	115.8	4.31	2.39		
!V99	9.42	133	3.87	1.93		gMe1 0.95; gMe2 0.73
!N100	7.88	119.3	3.98	2.47, 1.94	gN 114.02; gNH2 7.57,6.87
!E101	7.98	126.2	4.25	1.46, 1.74	g 3.20,2.04
!A102	7.30	126.7	4.14	1.63		
!L103	8.26	125.9	4.62			dMe 0.91
!
!Minor conformational form involving residues 43 - 55
!
!E43*	8.39	119.7	4.28	2.33		g 2.04
!T44*	7.89	116.3				gMe 1.20
!H46*	8.26	121.6	5.04	3.18		tentative: H46 and H46* may be reversed	
!K49*	8.54	123.7	4.26	1.80		g 1.45
!G50*	8.38	112.7	4.02			
!V51*	7.91	120.7	4.14	2.13		gMe 0.93
!E52*	8.50	126.5	4.26	1.95		g 2.28
!K53*	8.16	124	4.25	1.66		g 1.28
!Y54*	7.95	120.4	4.63	3.39, 2.75	d 7.07; e 6.84
!G55*	8.18	112.4	4.13
!
!Minor conformational form involving residues 100 - 103
!
!N100**	7.68	119.6	4.03	1.82,1.44	gN 113.9; gNH2 7.50,6.83
!E101**	8.02	125.8				
!A102**	7.69	128.9	4.20	1.60		
!L103**	7.86	130.6	4.17	1.79		g 1.42
!			
!
! SN-OB NOE & H-BOND RESTRAINTS
! ONLY DATA FOR THE MAJOR CONFORMATIONAL FORM WERE USED
!
! NOE'S
!
! S = 1.8 - 2.9 ? (1.1)
! M = 1.8 - 4.2 ? (2.4)
! W = 1.8 - 5.0 ? (3.2)
!VW = 1.8 - 6.5 ? (4.7)
! PSEUDOATOMS
! METHYLENE B'S + 1A
! METHYLS + 1.5 A
! DEGENERATE METHYLS (VAL, LEU) + 2.4 A
! DEGENERATE AROMATICS (PHE, TYR) + 2.0 A
!
!
! PHI COUPLING CONSTANTS
!
! J > 8.1, PHI = -120 +/- 40
! 5.6 < J < 8.0, PHI = NOT USED
! J < 5.5, PHI = -60 +/- 20
! 
!!!!!STATISTICS:
!!!TOTAL RESTRAINTS = 870 (49 PHI + 813 NOE + 8 H-BOND)                
!!INTRA-RESIDUE NOE 214
!!SHORT-RANGE NOE   334
!!LONG RANGE NOE    265
!!!H-BONDS 8
!
!!!! NOE RESTRAINTS
!
!!!! LONG-RANGE 
!
assign (resid 9 and name HN) (resid 75 and name HB#) 1.8 0.0 4.2 {w}  
assign (resid 9 and name HN) (resid 75 and name HN) 1.8 0.0 4.7 {vw}
assign (resid 12 and name HN) (resid 73 and name HA) 1.8 0.0 3.2 {w}  
assign (resid 13 and name HN) (resid 26 and name HB#) 1.8 0.0 4.2 {w}  
assign (resid 14 and name HN) (resid 72 and name HG1#) 1.8 0.0 3.4 {m}  
assign (resid 15 and name HN) (resid 25 and name HA) 1.8 0.0 3.2 {w}  
assign (resid 17 and name HA) (resid 23 and name HB) 1.8 0.0 2.4 {m} 
assign (resid 17 and name HA) (resid 23 and name HG*) 1.8 0.0 3.5 {s}  
assign (resid 17 and name HA) (resid 24 and name HB#) 1.8 0.0 4.2 {w}
assign (resid 20 and name HN) (resid 55 and name HA#) 1.8 0.0 3.4 {m}  
assign (resid 20 and name HN) (resid 60 and name HB#) 1.8 0.0 6.2 {vw}  
assign (resid 21 and name HN) (resid 36 and name HD*) 1.8 0.0 7.1 {vw}
assign (resid 22 and name HA) (resid 38 and name HB#) 1.8 0.0 5.7 {vw}  
assign (resid 22 and name HA) (resid 39 and name HB) 1.8 0.0 3.2 {w}    
assign (resid 23 and name HA) (resid 17 and name HA) 1.8 0.0 1.1 {s}  
assign (resid 23 and name HA) (resid 17 and name HB#) 1.8 0.0 3.9 {m}  
assign (resid 23 and name HA) (resid 18 and name HG2#) 1.8 0.0 4.7 {w}  
assign (resid 24 and name HN) (resid 15 and name HD#) 1.8 0.0 4.7 {w}  
assign (resid 24 and name HN) (resid 15 and name HN) 1.8 0.0 3.2 {w}
assign (resid 24 and name HN) (resid 16 and name HB#) 1.8 0.0 3.4 {m}
assign (resid 24 and name HN) (resid 16 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 24 and name HN) (resid 18 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 25 and name HA) (resid 12 and name HB#) 1.8 0.0 3.9 {m}  
assign (resid 25 and name HA) (resid 14 and name HA) 1.8 0.0 2.4 {m}  
assign (resid 25 and name HA) (resid 15 and name HD#) 1.8 0.0 4.7 {w}  
assign (resid 25 and name HA) (resid 72 and name HD#) 1.8 0.0 3.9 {m}  
assign (resid 26 and name HN) (resid 13 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 26 and name HN) (resid 14 and name HA) 1.8 0.0 4.7 {vw}
assign (resid 26 and name HN) (resid 15 and name HN) 1.8 0.0 4.7 {vw}
assign (resid 27 and name HD*) (resid 12 and name HB#) 1.8 0.0 5.9 {m}  
assign (resid 27 and name HD*) (resid 32 and name HB#) 1.8 0.0 6.2 {w}  
assign (resid 27 and name HD*) (resid 72 and name HG2#) 1.8 0.0 6.7 {w}  
assign (resid 27 and name HE*) (resid 32 and name HB#) 1.8 0.0 6.2 {w}  
assign (resid 27 and name HN) (resid 32 and name HG#) 1.8 0.0 4.2 {w}  
assign (resid 32 and name HN) (resid 25 and name HA) 1.8 0.0 3.2 {w}  
assign (resid 32 and name HN) (resid 25 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 33 and name HA) (resid 24 and name HA) 1.8 0.0 1.1 {s}  
assign (resid 33 and name HB) (resid 24 and name HG#) 1.8 0.0 4.2 {w}
assign (resid 33 and name HN) (resid 18 and name HD#) 1.8 0.0 4.7 {w}
assign (resid 34 and name HA) (resid 88 and name HG2#) 1.8 0.0 4.7 {w}
assign (resid 34 and name HD*) (resid 23 and name HA) 1.8 0.0 5.2 {w}  
assign (resid 34 and name HD*) (resid 23 and name HB) 1.8 0.0 5.2 {w}  
assign (resid 34 and name HD*) (resid 24 and name HA) 1.8 0.0 5.2 {w}
assign (resid 34 and name HD*) (resid 25 and name HB#) 1.8 0.0 6.2 {w}
assign (resid 34 and name HD*) (resid 27 and name HD*) 1.8 0.0 7.2 {w}  
assign (resid 34 and name HD*) (resid 76 and name HA) 1.8 0.0 6.7 {vw}
assign (resid 34 and name HD*) (resid 76 and name HB#) 1.8 0.0 6.2 {w}
assign (resid 34 and name HD*) (resid 76 and name HD*) 1.8 0.0 6.4 {m}
assign (resid 34 and name HD*) (resid 87 and name HB#) 1.8 0.0 6.4 {m}
assign (resid 34 and name HD*) (resid 88 and name HB) 1.8 0.0 4.4 {m}
assign (resid 34 and name HD*) (resid 92 and name HD#) 1.8 0.0 5.9 {m}
assign (resid 34 and name HE*) (resid 23 and name HB) 1.8 0.0 6.7 {vw}
assign (resid 34 and name HE*) (resid 25 and name HB#) 1.8 0.0 6.2 {w}
assign (resid 34 and name HE*) (resid 27 and name HB#) 1.8 0.0 6.2 {w}
assign (resid 34 and name HE*) (resid 76 and name HD*) 1.8 0.0 6.4 {m}
assign (resid 34 and name HE*) (resid 76 and name HE*) 1.8 0.0 7.2 {w}
assign (resid 34 and name HN) (resid 23 and name HN) 1.8 0.0 2.4 {m}
assign (resid 34 and name HN) (resid 24 and name HA) 1.8 0.0 2.4 {m}
assign (resid 34 and name HN) (resid 66 and name HD*) 1.8 0.0 4.8 {m}  
assign (resid 34 and name HZ) (resid 27 and name HD*) 1.8 0.0 5.2 {w}  
assign (resid 34 and name HZ) (resid 76 and name HD*) 1.8 0.0 5.2 {w}  
assign (resid 34 and name HZ) (resid 76 and name HE*) 1.8 0.0 5.2 {w}  
assign (resid 35 and name HA) (resid 89 and name HD*) 1.8 0.0 4.8 {m}   
assign (resid 35 and name HE) (resid 89 and name HD*) 1.8 0.0 7.1 {vw} 
assign (resid 35 and name HN) (resid 23 and name HG*) 1.8 0.0 5.6 {w}
assign (resid 35 and name HN) (resid 88 and name HB) 1.8 0.0 3.2 {w}  
assign (resid 35 and name HN) (resid 88 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 36 and name HN) (resid 21 and name HB#) 1.8 0.0 4.2 {w}   
assign (resid 37 and name HN) (resid 89 and name HA) 1.8 0.0 4.7 {vw}   
assign (resid 37 and name HN) (resid 91 and name HD*) 1.8 0.0 6.7 {vw}
assign (resid 39 and name HN) (resid 91 and name HE*) 1.8 0.0 5.2 {w}
assign (resid 61 and name HD*) (resid 56 and name HD#) 1.8 0.0 7.7 {vw}   
assign (resid 69 and name HN) (resid 14 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 70 and name HN) (resid 95 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 71 and name HN) (resid 95 and name HB#) 1.8 0.0 4.2 {w}  
assign (resid 72 and name HA) (resid 11 and name HG#) 1.8 0.0 5.7 {vw}   
assign (resid 72 and name HA) (resid 94 and name HB#) 1.8 0.0 4.7 {w}  
assign (resid 72 and name HG2#) (resid 12 and name HB#) 1.8 0.0 6.2 {w}  
assign (resid 72 and name HG2#) (resid 66 and name HA) 1.8 0.0 4.7 {w}  
assign (resid 72 and name HG2#) (resid 94 and name HA) 1.8 0.0 4.7 {w}  
assign (resid 72 and name HN) (resid 10 and name HN) 1.8 0.0 4.7 {vw}  
assign (resid 72 and name HN) (resid 11 and name HB#) 1.8 0.0 4.2 {w}  
assign (resid 72 and name HN) (resid 12 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 73 and name HA) (resid 10 and name HB#) 1.8 0.0 4.2 {w}
assign (resid 73 and name HA) (resid 11 and name HA) 1.8 0.0 1.1 {s} 
assign (resid 73 and name HN) (resid 11 and name HB#) 1.8 0.0 5.7 {vw}  
assign (resid 73 and name HN) (resid 93 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 73 and name HN) (resid 93 and name HB#) 1.8 0.0 4.2 {w}  
assign (resid 74 and name HA) (resid 92 and name HG2#) 1.8 0.0 4.7 {w}  
assign (resid 74 and name HN) (resid 10 and name HB#) 1.8 0.0 3.4 {m}  
assign (resid 74 and name HN) (resid 10 and name HN) 1.8 0.0 2.4 {m}  
assign (resid 74 and name HN) (resid 11 and name HB#) 1.8 0.0 4.2 {w}  
assign (resid 74 and name HN) (resid 12 and name HB#) 1.8 0.0 3.9 {m}  
assign (resid 74 and name HN) (resid 12 and name HN) 1.8 0.0 4.7 {vw}
assign (resid 74 and name HN) (resid 92 and name HD#) 1.8 0.0 3.9 {m}  
assign (resid 75 and name HA) (resid 9 and name HA) 1.8 0.0 2.4 {m}  
assign (resid 75 and name HN) (resid 10 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 75 and name HN) (resid 90 and name HB#) 1.8 0.0 4.7 {w}  
assign (resid 75 and name HN) (resid 91 and name HB#) 1.8 0.0 4.2 {w}  
assign (resid 75 and name HN) (resid 91 and name HD*) 1.8 0.0 5.2 {w}  
assign (resid 75 and name HN) (resid 92 and name HA) 1.8 0.0 3.2 {w}
assign (resid 75 and name HN) (resid 92 and name HD#) 1.8 0.0 3.9 {m}  
assign (resid 75 and name HN) (resid 93 and name HD*) 1.8 0.0 5.2 {w}  
assign (resid 76 and name HD*) (resid 8 and name HA) 1.8 0.0 6.7 {vw}  
assign (resid 76 and name HD*) (resid 27 and name HD*) 1.8 0.0 7.7 {vw}  
assign (resid 76 and name HD*) (resid 81 and name HB#) 1.8 0.0 7.7 {vw}
assign (resid 76 and name HD*) (resid 88 and name HB) 1.8 0.0 5.2 {w}  
assign (resid 76 and name HE*) (resid 27 and name HB#) 1.8 0.0 6.2 {w}   
assign (resid 76 and name HE*) (resid 81 and name HB#) 1.8 0.0 7.7 {vw} 
assign (resid 76 and name HN) (resid 91 and name HB#) 1.8 0.0 5.7 {vw}  
assign (resid 77 and name HN) (resid 6 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 78 and name HN) (resid 6 and name HD#) 1.8 0.0 3.4 {m}  
assign (resid 78 and name HN) (resid 6 and name HN) 1.8 0.0 2.4 {m}  
assign (resid 82 and name HN) (resid 89 and name HD*) 1.8 0.0 4.8 {m}  
assign (resid 84 and name HN) (resid 89 and name HD*) 1.8 0.0 5.6 {w}   
assign (resid 87 and name HE) (resid 21 and name HB#) 1.8 0.0 5.7 {vw}
assign (resid 88 and name HN) (resid 34 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 89 and name HN) (resid 83 and name HB#) 1.8 0.0 5.7 {vw}   
assign (resid 90 and name HA) (resid 76 and name HA) 1.8 0.0 2.4 {m}  
assign (resid 90 and name HA) (resid 76 and name HB#) 1.8 0.0 4.2 {w}  
assign (resid 90 and name HN) (resid 35 and name HE) 1.8 0.0 4.7 {vw}   
assign (resid 90 and name HN) (resid 35 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 90 and name HN) (resid 89 and name HD*) 1.8 0.0 5.6 {w}  
assign (resid 91 and name HD*) (resid 37 and name HB#) 1.8 0.0 6.6 {w}  
assign (resid 91 and name HE*) (resid 37 and name HD*) 1.8 0.0 7.6 {w}
assign (resid 91 and name HN) (resid 75 and name HB#) 1.8 0.0 4.2 {w}  
assign (resid 91 and name HN) (resid 75 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 92 and name HA) (resid 74 and name HA) 1.8 0.0 1.1 {s}  
assign (resid 92 and name HA) (resid 74 and name HB) 1.8 0.0 3.2 {w}  
assign (resid 92 and name HA) (resid 75 and name HB#) 1.8 0.0 4.2 {w} 
assign (resid 92 and name HG2#) (resid 72 and name HG1#) 1.8 0.0 5.7 {w}  
assign (resid 92 and name HG2#) (resid 74 and name HB) 1.8 0.0 4.7 {w}  
assign (resid 92 and name HN) (resid 75 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 92 and name HN) (resid 99 and name HB) 1.8 0.0 2.4 {m}  
assign (resid 93 and name HD*) (resid 9 and name HB#) 1.8 0.0 5.4 {m}  
assign (resid 93 and name HD*) (resid 75 and name HA) 1.8 0.0 5.2 {w}  
assign (resid 93 and name HD*) (resid 75 and name HB#) 1.8 0.0 5.4 {m}  
assign (resid 93 and name HD*) (resid 98 and name HG#) 1.8 0.0 4.1 {s}  
assign (resid 93 and name HD*) (resid 99 and name HB) 1.8 0.0 4.4 {m}  
assign (resid 93 and name HD*) (resid 99 and name HB) 1.8 0.0 4.4 {m}  
assign (resid 93 and name HE*) (resid 9 and name HB#) 1.8 0.0 6.2 {w}  
assign (resid 93 and name HE*) (resid 75 and name HA) 1.8 0.0 5.2 {w}  
assign (resid 93 and name HE*) (resid 75 and name HB#) 1.8 0.0 6.2 {w}  
assign (resid 93 and name HE*) (resid 98 and name HG#) 1.8 0.0 5.4 {m}  
assign (resid 93 and name HE*) (resid 99 and name HB) 1.8 0.0 4.4 {m}  
assign (resid 93 and name HE*) (resid 99 and name HB) 1.8 0.0 4.4 {m}  
assign (resid 93 and name HN) (resid 72 and name HG1#) 1.8 0.0 4.2 {w}  
assign (resid 93 and name HN) (resid 73 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 93 and name HN) (resid 75 and name HB#) 1.8 0.0 4.2 {w}  
assign (resid 94 and name HA) (resid 72 and name HA) 1.8 0.0 1.1 {s}  
assign (resid 94 and name HA) (resid 72 and name HB) 1.8 0.0 3.7 {w}  
assign (resid 94 and name HA) (resid 72 and name HD#) 1.8 0.0 4.7 {w}  
assign (resid 94 and name HN) (resid 65 and name HG#) 1.8 0.0 4.2 {w}  
assign (resid 94 and name HN) (resid 71 and name HB#) 1.8 0.0 5.7 {vw}  
assign (resid 94 and name HN) (resid 72 and name HD#) 1.8 0.0 4.7 {w}  
assign (resid 94 and name HN) (resid 72 and name HG1#) 1.8 0.0 3.4 {m}   
assign (resid 94 and name HN) (resid 73 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 95 and name HB#) (resid 69 and name HB#) 1.8 0.0 3.6 {s}  
assign (resid 95 and name HB#) (resid 71 and name HB#) 1.8 0.0 5.2 {w}   
assign (resid 95 and name HN) (resid 69 and name HB#) 1.8 0.0 3.9 {m}  
assign (resid 95 and name HN) (resid 71 and name HB#) 1.8 0.0 3.4 {m}  
assign (resid 95 and name HN) (resid 71 and name HN) 1.8 0.0 3.2 {w}
assign (resid 97 and name HN) (resid 69 and name HB#) 1.8 0.0 4.7 {w}   
!   
!!!! SHORT-RANGE 
!
assign (resid 3 and name HN) (resid 2 and name HA) 1.8 0.0 2.4 {m}
assign (resid 4 and name HN) (resid 2 and name HN) 1.8 0.0 3.2 {w}
assign (resid 4 and name HN) (resid 3 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 4 and name HN) (resid 3 and name HN) 1.8 0.0 3.2 {w}
assign (resid 7 and name HN) (resid 6 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 7 and name HN) (resid 6 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 7 and name HN) (resid 6 and name HD#) 1.8 0.0 4.2 {w}   
assign (resid 7 and name HN) (resid 6 and name HG#) 1.8 0.0 2.1 {s}   
assign (resid 7 and name HN) (resid 6 and name HN) 1.8 0.0 1.1 {s}   
assign (resid 8 and name HN) (resid 7 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 8 and name HN) (resid 7 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 8 and name HN) (resid 9 and name HG#) 1.8 0.0 4.2 {w}   
assign (resid 9 and name HN) (resid 8 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 9 and name HN) (resid 8 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 10 and name HN) (resid 9 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 12 and name HN) (resid 11 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 12 and name HN) (resid 11 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 13 and name HN) (resid 12 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 13 and name HN) (resid 15 and name HG1#) 1.8 0.0 3.4 {m}   
assign (resid 13 and name HN) (resid 15 and name HG1#) 1.8 0.0 3.4 {m}   
assign (resid 13 and name HN) (resid 15 and name HN) 1.8 0.0 3.4 {m}   
assign (resid 14 and name HN) (resid 13 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 14 and name HN) (resid 15 and name HN) 1.8 0.0 3.2 {w}
assign (resid 15 and name HA) (resid 14 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 15 and name HA) (resid 14 and name HD*) 1.8 0.0 3.5 {s}   
assign (resid 15 and name HN) (resid 14 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 16 and name HN) (resid 15 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 16 and name HN) (resid 15 and name HG1#) 1.8 0.0 3.4 {m}   
assign (resid 17 and name HA) (resid 16 and name HB#) 1.8 0.0 5.7 {vw}   
assign (resid 17 and name HA) (resid 18 and name HB) 1.8 0.0 2.4 {m}   
assign (resid 17 and name HN) (resid 14 and name HD*) 1.8 0.0 5.6 {w}   
assign (resid 17 and name HN) (resid 16 and name HA) 1.8 0.0 1.1 {s}  
assign (resid 17 and name HN) (resid 16 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 17 and name HN) (resid 16 and name HG#) 1.8 0.0 4.2 {w}   
assign (resid 17 and name HN) (resid 16 and name HN) 1.8 0.0 3.2 {w}   
assign (resid 18 and name HN) (resid 17 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 18 and name HN) (resid 17 and name HB#) 1.8 0.0 2.6 {s}   
assign (resid 18 and name HN) (resid 17 and name HN) 1.8 0.0 3.2 {w}   
assign (resid 18 and name HN) (resid 19 and name HB#) 1.8 0.0 5.7 {vw}   
assign (resid 18 and name HN) (resid 19 and name HN) 1.8 0.0 2.4 {m}   
assign (resid 19 and name HA) (resid 18 and name HG2#) 1.8 0.0 3.9 {m}   
assign (resid 19 and name HN) (resid 18 and name HA) 1.8 0.0 2.4 {m} 
assign (resid 19 and name HN) (resid 18 and name HB) 1.8 0.0 1.1 {s}   
assign (resid 19 and name HN) (resid 20 and name HN) 1.8 0.0 2.4 {m}   
assign (resid 20 and name HN) (resid 19 and name HA) 1.8 0.0 3.2 {w}  
assign (resid 20 and name HN) (resid 19 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 21 and name HA) (resid 23 and name HG*) 1.8 0.0 5.6 {w}   
assign (resid 21 and name HN) (resid 20 and name HA#) 1.8 0.0 2.1 {s}   
assign (resid 21 and name HN) (resid 20 and name HN) 1.8 0.0 2.4 {m}   
assign (resid 22 and name HA) (resid 21 and name HB#) 1.8 0.0 4.2 {w}   
assign (resid 22 and name HN) (resid 18 and name HB) 1.8 0.0 3.2 {w}   
assign (resid 22 and name HN) (resid 20 and name HN) 1.8 0.0 4.7 {vw}   
assign (resid 22 and name HN) (resid 21 and name HB#) 1.8 0.0 4.2 {w}   
assign (resid 22 and name HN) (resid 21 and name HN) 1.8 0.0 1.1 {s}   
assign (resid 22 and name HN) (resid 23 and name HG*) 1.8 0.0 5.6 {w}   
assign (resid 23 and name HN) (resid 22 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 23 and name HN) (resid 22 and name HG2#) 1.8 0.0 2.6 {s}   
assign (resid 24 and name HA) (resid 23 and name HB) 1.8 0.0 3.2 {w}   
assign (resid 24 and name HN) (resid 23 and name HG#) 4.2 0.0 3.5 {s}   
assign (resid 25 and name HA) (resid 24 and name HG#) 1.8 0.0 3.4 {m}  
assign (resid 25 and name HN) (resid 24 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 26 and name HN) (resid 25 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 26 and name HN) (resid 25 and name HG) 1.8 0.0 3.2 {w}   
assign (resid 27 and name HD*) (resid 25 and name HB#) 1.8 0.0 6.2 {w}   
assign (resid 27 and name HD*) (resid 26 and name HB#) 1.8 0.0 6.2 {w}   
assign (resid 27 and name HD*) (resid 26 and name HG#) 1.8 0.0 6.2 {w}   
assign (resid 27 and name HD*) (resid 29 and name HA#) 1.8 0.0 6.2 {w}   
assign (resid 27 and name HE*) (resid 29 and name HA#) 1.8 0.0 6.2 {w}   
assign (resid 27 and name HN) (resid 26 and name HA) 1.8 0.0 1.1  {s}  
assign (resid 27 and name HN) (resid 26 and name HG#) 1.8 0.0 4.2 {w}   
assign (resid 27 and name HN) (resid 26 and name HN) 1.8 0.0 3.2 {w}   
assign (resid 27 and name HN) (resid 29 and name HN) 1.8 0.0 3.2 {w}   
assign (resid 27 and name HN) (resid 30 and name HN) 1.8 0.0 2.4 {m}  
assign (resid 28 and name HN) (resid 27 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 28 and name HN) (resid 27 and name HB#) 1.8 0.0 4.2 {w}   
assign (resid 28 and name HN) (resid 27 and name HD*) 1.8 0.0 4.4 {m}   
assign (resid 28 and name HN) (resid 29 and name HA#) 1.8 0.0 4.2 {w}   
assign (resid 28 and name HN) (resid 32 and name HN) 1.8 0.0 4.7 {vw}
assign (resid 29 and name HN) (resid 27 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 29 and name HN) (resid 28 and name HA) 1.8 0.0 1.1 {s} 
assign (resid 29 and name HN) (resid 28 and name HN) 1.8 0.0 2.4 {m}   
assign (resid 29 and name HN) (resid 30 and name HB#) 1.8 0.0 4.2 {w}   
assign (resid 30 and name HN) (resid 28 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 30 and name HN) (resid 29 and name HA#) 1.8 0.0 3.4 {m}   
assign (resid 30 and name HN) (resid 29 and name HN) 1.8 0.0 1.1 {s}   
assign (resid 32 and name HA) (resid 34 and name HD*) 1.8 0.0 5.2 {w}   
assign (resid 32 and name HN) (resid 31 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 32 and name HN) (resid 31 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 32 and name HN) (resid 31 and name HD#) 1.8 0.0 4.7 {w}
assign (resid 32 and name HN) (resid 31 and name HG#) 1.8 0.0 4.2 {w}   
assign (resid 33 and name HN) (resid 34 and name HB#) 1.8 0.0 4.2 {w}   
assign (resid 34 and name HE*) (resid 31 and name HA) 1.8 0.0 6.7 {vw}      
assign (resid 35 and name HE) (resid 38 and name HB#) 1.8 0.0 4.2 {w}
assign (resid 35 and name HN) (resid 34 and name HA) 1.8 0.0 1.1 {s}
assign (resid 35 and name HN) (resid 34 and name HB#) 1.8 0.0 4.2 {w}  
assign (resid 35 and name HN) (resid 34 and name HB#) 1.8 0.0 4.2 {w}      
assign (resid 35 and name HN) (resid 34 and name HD*) 1.8 0.0 5.2 {w}  
assign (resid 35 and name HN) (resid 34 and name HE*) 1.8 0.0 5.7 {w}  
assign (resid 35 and name HN) (resid 34 and name HN) 1.8 0.0 4.7 {vw}
assign (resid 35 and name HN) (resid 38 and name HB#) 1.8 0.0 4.2 {w} 
assign (resid 36 and name HN) (resid 35 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 36 and name HN) (resid 35 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 36 and name HN) (resid 35 and name HN) 1.8 0.0 3.2 {w}
assign (resid 37 and name HN) (resid 35 and name HN) 1.8 0.0 4.7 {vw}
assign (resid 37 and name HN) (resid 36 and name HA) 1.8 0.0 2.4 {m}
assign (resid 37 and name HN) (resid 36 and name HD*) 1.8 0.0 5.6 {w}   
assign (resid 37 and name HN) (resid 36 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 37 and name HN) (resid 38 and name HN) 1.8 0.0 3.2 {w}   
assign (resid 39 and name HN) (resid 38 and name HA) 1.8 0.0 4.7 {vw}   
assign (resid 39 and name HN) (resid 38 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 39 and name HN) (resid 38 and name HN) 1.8 0.0 3.2 {w}   
assign (resid 39 and name HN) (resid 40 and name HN) 1.8 0.0 2.4 {m}
assign (resid 41 and name HN) (resid 40 and name HA) 1.8 0.0 2.4 {m}    
assign (resid 41 and name HN) (resid 40 and name HN) 1.8 0.0 1.1 {s}
assign (resid 43 and name HN) (resid 42 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 43 and name HN) (resid 42 and name HD#) 1.8 0.0 4.2 {w}   
assign (resid 44 and name HN) (resid 43 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 44 and name HN) (resid 43 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 44 and name HN) (resid 43 and name HG#) 1.8 0.0 4.2 {w}   
assign (resid 44 and name HN) (resid 43 and name HN) 1.8 0.0 2.4 {m}   
assign (resid 44 and name HN) (resid 45 and name HN) 1.8 0.0 3.2 {w}  
assign (resid 45 and name HN) (resid 44 and name HA) 1.8 0.0 1.1 {s}  
assign (resid 46 and name HN) (resid 45 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 46 and name HN) (resid 45 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 49 and name HN) (resid 48 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 50 and name HN) (resid 49 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 50 and name HN) (resid 49 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 50 and name HN) (resid 49 and name HG#) 1.8 0.0 4.2 {w}   
assign (resid 50 and name HN) (resid 51 and name HN) 1.8 0.0 3.2 {w}   
assign (resid 51 and name HN) (resid 50 and name HA#) 1.8 0.0 3.4 {m}   
assign (resid 51 and name HN) (resid 52 and name HN) 1.8 0.0 2.4 {m}   
assign (resid 52 and name HN) (resid 51 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 52 and name HN) (resid 51 and name HB) 1.8 0.0 2.4 {m}   
assign (resid 52 and name HN) (resid 51 and name HG*) 1.8 0.0 3.5 {s}   
assign (resid 53 and name HN) (resid 52 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 53 and name HN) (resid 52 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 54 and name HN) (resid 53 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 54 and name HN) (resid 53 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 55 and name HN) (resid 53 and name HB#) 1.8 0.0 4.2 {w}   
assign (resid 55 and name HN) (resid 54 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 55 and name HN) (resid 54 and name HB#) 1.8 0.0 4.2 {w}   
assign (resid 55 and name HN) (resid 56 and name HD#) 1.8 0.0 4.2 {w}   
assign (resid 57 and name HN) (resid 56 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 57 and name HN) (resid 56 and name HD#) 1.8 0.0 3.4 {m}   
assign (resid 57 and name HN) (resid 59 and name HN) 1.8 0.0 2.4 {m}   
assign (resid 58 and name HA) (resid 57 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 58 and name HA) (resid 61 and name HB#) 1.8 0.0 4.2 {w}   
assign (resid 58 and name HN) (resid 57 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 58 and name HN) (resid 57 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 58 and name HN) (resid 59 and name HN) 1.8 0.0 1.1 {s}   
assign (resid 58 and name HN) (resid 61 and name HD*) 1.8 0.0 5.2 {w}   
assign (resid 59 and name HA) (resid 62 and name HB) 1.8 0.0 2.4 {m}   
assign (resid 59 and name HN) (resid 56 and name HB#) 1.8 0.0 4.2 {w}
assign (resid 59 and name HN) (resid 57 and name HB#) 1.8 0.0 4.2 {w}   
assign (resid 59 and name HN) (resid 57 and name HG#) 1.8 0.0 5.7 {vw}   
assign (resid 59 and name HN) (resid 58 and name HB#) 1.8 0.0 2.6 {s}   
assign (resid 60 and name HA) (resid 63 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 60 and name HN) (resid 56 and name HB#) 1.8 0.0 3.4 {m}
assign (resid 60 and name HN) (resid 57 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 60 and name HN) (resid 59 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 61 and name HA) (resid 60 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 61 and name HA) (resid 64 and name HB#) 1.8 0.0 4.2 {w}   
assign (resid 61 and name HN) (resid 58 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 61 and name HN) (resid 58 and name HB#) 1.8 0.0 3.9 {m}   
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assign (resid 80 and name HN) (resid 79 and name HN) 1.8 0.0 2.4 {m}  
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assign (resid 81 and name HN) (resid 80 and name HA) 1.8 0.0 2.4 {m}   
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assign (resid 82 and name HA) (resid 86 and name HA#) 1.8 0.0 3.4 {m}  
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assign (resid 85 and name HN) (resid 86 and name HA#) 1.8 0.0 3.4 {m}  
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assign (resid 86 and name HN) (resid 83 and name HA) 1.8 0.0 3.2 {w}  
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assign (resid 87 and name HN) (resid 86 and name HN) 1.8 0.0 1.1 {s}
assign (resid 88 and name HA) (resid 87 and name HB#) 1.8 0.0 3.4 {m}   
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assign (resid 88 and name HB) (resid 87 and name HG#) 1.8 0.0 4.2 {w}  
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assign (resid 88 and name HG2#) (resid 89 and name HG#) 1.8 0.0 5.7 {w}   
assign (resid 88 and name HN) (resid 87 and name HA) 1.8 0.0 1.1 {s}  
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assign (resid 89 and name HN) (resid 87 and name HA) 1.8 0.0 3.2 {w}   
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assign (resid 92 and name HN) (resid 91 and name HB#) 1.8 0.0 2.1 {s}  
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assign (resid 93 and name HD*) (resid 97 and name HG#) 1.8 0.0 5.4 {m}  
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assign (resid 93 and name HE*) (resid 94 and name HA) 1.8 0.0 6.7 {vw}  
assign (resid 93 and name HE*) (resid 97 and name HB#) 1.8 0.0 5.4 {m}   
assign (resid 93 and name HE*) (resid 97 and name HG#) 1.8 0.0 6.2 {w}   
assign (resid 93 and name HN) (resid 92 and name HA) 1.8 0.0 1.1 {s}  
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assign (resid 94 and name HN) (resid 93 and name HA) 1.8 0.0 1.1 {s}   
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assign (resid 99 and name HN) (resid 98 and name HN) 1.8 0.0 3.2 {w}   
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assign (resid 100 and name HN) (resid 97 and name HB#) 1.8 0.0 4.2 {w}
assign (resid 100 and name HN) (resid 99 and name HG1#) 1.8 0.0 2.6 {s}   
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assign (resid 103 and name HN) (resid 102 and name HA) 1.8 0.0 1.1 {s}   
!
!!!! INTRA-RESIDUE 
!
assign (resid 3 and name HN) (resid 3 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 3 and name HN) (resid 3 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 6 and name HN) (resid 6 and name HA) 1.8 0.0 1.1 {s}
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assign (resid 8 and name HA) (resid 8 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 8 and name HN) (resid 8 and name HB#) 1.8 0.0 3.4 {m}   
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assign (resid 9 and name HN) (resid 9 and name HG#) 1.8 0.0 2.1 {s}   
assign (resid 10 and name HN) (resid 10 and name HA) 1.8 0.0 3.2 {w}   
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assign (resid 15 and name HN) (resid 15 and name HB) 1.8 0.0 2.4 {m}   
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assign (resid 18 and name HN) (resid 18 and name HD#) 1.8 0.0 4.7 {w}   
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assign (resid 19 and name HN) (resid 19 and name HA) 1.8 0.0 3.2 {w}   
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assign (resid 19 and name HN) (resid 19 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 20 and name HN) (resid 20 and name HA#) 1.8 0.0 2.1 {s}   
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assign (resid 22 and name HA) (resid 22 and name HB) 1.8 0.0 1.1 {s}   
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assign (resid 23 and name HN) (resid 23 and name HG*) 1.8 0.0 3.5 {s}   
assign (resid 24 and name HN) (resid 24 and name HA) 1.8 0.0 4.7 {vw}
assign (resid 24 and name HN) (resid 24 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 25 and name HN) (resid 25 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 25 and name HN) (resid 25 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 26 and name HN) (resid 26 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 26 and name HN) (resid 26 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 27 and name HA) (resid 27 and name HD*) 1.8 0.0 3.1 {s}   
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assign (resid 27 and name HN) (resid 27 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 27 and name HN) (resid 27 and name HD*) 1.8 0.0 5.2 {w}   
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assign (resid 28 and name HA) (resid 28 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 28 and name HA) (resid 28 and name HG#) 1.8 0.0 3.4 {m}  
assign (resid 28 and name HN) (resid 28 and name HA) 1.8 0.0 1.1 {s}   
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assign (resid 28 and name HN) (resid 28 and name HD#) 1.8 0.0 3.4 {m}   
assign (resid 28 and name HN) (resid 28 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 29 and name HN) (resid 29 and name HA#) 1.8 0.0 2.1 {s}   
assign (resid 30 and name HN) (resid 30 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 30 and name HN) (resid 30 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 30 and name HN) (resid 30 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 32 and name HA) (resid 32 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 32 and name HA) (resid 32 and name HG#) 1.8 0.0 2.1 {s}   
assign (resid 32 and name HN) (resid 32 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 32 and name HN) (resid 32 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 32 and name HN) (resid 32 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 33 and name HA) (resid 33 and name HB) 1.8 0.0 1.1 {s}   
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assign (resid 33 and name HB) (resid 33 and name HG2#) 1.8 0.0 2.6 {s}   
assign (resid 33 and name HN) (resid 33 and name HB) 1.8 0.0 2.4 {m}   
assign (resid 34 and name HA) (resid 34 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 34 and name HA) (resid 34 and name HD*) 1.8 0.0 3.1 {s}   
assign (resid 34 and name HA) (resid 34 and name HE*) 1.8 0.0 6.7 {w}   
assign (resid 34 and name HB#) (resid 34 and name HD*) 1.8 0.0 4.1 {s}   
assign (resid 34 and name HN) (resid 34 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 34 and name HN) (resid 34 and name HD*) 1.8 0.0 3.1 {s}   
assign (resid 35 and name HA) (resid 35 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 35 and name HE) (resid 35 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 35 and name HE) (resid 35 and name HD#) 1.8 0.0 2.1 {s}   
assign (resid 35 and name HN) (resid 35 and name HB#) 1.8 0.0 3.4 {m}      
assign (resid 36 and name HN) (resid 36 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 38 and name HN) (resid 38 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 38 and name HN) (resid 38 and name HG#) 1.8 0.0 4.2 {w}   
assign (resid 39 and name HN) (resid 39 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 41 and name HN) (resid 41 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 41 and name HN) (resid 41 and name HB) 1.8 0.0 1.1 {s}   
assign (resid 41 and name HN) (resid 41 and name HG2#) 1.8 0.0 2.4 {s}   
assign (resid 43 and name HN) (resid 43 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 43 and name HN) (resid 43 and name HG#) 1.8 0.0 2.1 {s}   
assign (resid 44 and name HN) (resid 44 and name HG2#) 1.8 0.0 3.9 {m}   
assign (resid 45 and name HN) (resid 45 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 45 and name HN) (resid 45 and name HG#) 1.8 0.0 4.2 {w}   
assign (resid 46 and name HN) (resid 46 and name HA) 1.8 0.0 2.4 {m}
assign (resid 49 and name HN) (resid 49 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 49 and name HN) (resid 49 and name HD#) 1.8 0.0 3.4 {m}   
assign (resid 49 and name HN) (resid 49 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 50 and name HN) (resid 50 and name HA#) 1.8 0.0 2.1 {s}   
assign (resid 51 and name HA) (resid 51 and name HB) 1.8 0.0 1.1 {s}   
assign (resid 51 and name HA) (resid 51 and name HG*) 1.8 0.0 3.5 {s}   
assign (resid 51 and name HN) (resid 51 and name HB) 1.8 0.0 2.4 {m}   
assign (resid 51 and name HN) (resid 51 and name HG*) 1.8 0.0 3.5 {s}   
assign (resid 52 and name HN) (resid 52 and name HB#) 1.8 0.0 1.1 {s}   
assign (resid 53 and name HN) (resid 53 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 53 and name HN) (resid 53 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 54 and name HN) (resid 54 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 55 and name HN) (resid 55 and name HA#) 1.8 0.0 2.1 {s}   
assign (resid 57 and name HA) (resid 57 and name HB#) 1.8 0.0 2.1 {s}  
assign (resid 57 and name HA) (resid 57 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 58 and name HA) (resid 58 and name HB#) 1.8 0.0 2.6 {s}   
assign (resid 58 and name HN) (resid 58 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 58 and name HN) (resid 58 and name HB#) 1.8 0.0 3.9 {m}   
assign (resid 59 and name HA) (resid 59 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 59 and name HN) (resid 59 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 59 and name HN) (resid 59 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 60 and name HN) (resid 60 and name HB#) 1.8 0.0 2.6 {s}   
assign (resid 61 and name HA) (resid 61 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 61 and name HD*) (resid 61 and name HA) 1.8 0.0 3.1 {s}   
assign (resid 61 and name HD*) (resid 61 and name HB#) 1.8 0.0 4.1 {s}   
assign (resid 61 and name HD*) (resid 61 and name HB#) 1.8 0.0 6.2 {w}   
assign (resid 61 and name HE*) (resid 61 and name HA) 1.8 0.0 5.2 {w}   
assign (resid 61 and name HN) (resid 61 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 61 and name HN) (resid 61 and name HD*) 1.8 0.0 6.7 {vw}   
assign (resid 62 and name HA) (resid 62 and name HB) 1.8 0.0 2.4 {m}   
assign (resid 62 and name HA) (resid 62 and name HG2#) 1.8 0.0 2.6 {s}   
assign (resid 62 and name HN) (resid 62 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 62 and name HN) (resid 62 and name HB) 1.8 0.0 2.4 {m}   
assign (resid 62 and name HN) (resid 62 and name HG2#) 1.8 0.0 3.9 {m}   
assign (resid 63 and name HN) (resid 63 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 63 and name HN) (resid 63 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 64 and name HA) (resid 64 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 64 and name HA) (resid 64 and name HD#) 1.8 0.0 2.1 {s}   
assign (resid 64 and name HA) (resid 64 and name HG#) 1.8 0.0 4.2 {w}   
assign (resid 64 and name HN) (resid 64 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 64 and name HN) (resid 64 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 64 and name HN) (resid 64 and name HD#) 1.8 0.0 2.1 {s}   
assign (resid 64 and name HN) (resid 64 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 65 and name HN) (resid 65 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 65 and name HN) (resid 65 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 65 and name HN) (resid 65 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 66 and name HN) (resid 66 and name HD*) 1.8 0.0 3.5 {s}   
assign (resid 67 and name HN) (resid 67 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 67 and name HN) (resid 67 and name HG#) 1.8 0.0 2.1 {s}   
assign (resid 68 and name HN) (resid 68 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 69 and name HA) (resid 69 and name HB#) 1.8 0.0 2.6 {s}   
assign (resid 69 and name HN) (resid 69 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 69 and name HN) (resid 69 and name HB#) 1.8 0.0 2.6 {s}   
assign (resid 70 and name HN) (resid 70 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 70 and name HN) (resid 70 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 70 and name HN) (resid 70 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 71 and name HN) (resid 71 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 72 and name HA) (resid 72 and name HB) 1.8 0.0 2.4 {m}   
assign (resid 72 and name HB) (resid 72 and name HG2#) 1.8 0.0 3.9 {m}   
assign (resid 72 and name HN) (resid 72 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 72 and name HN) (resid 72 and name HB) 1.8 0.0 1.1 {s}   
assign (resid 72 and name HN) (resid 72 and name HD#) 1.8 0.0 3.9 {m}   
assign (resid 72 and name HN) (resid 72 and name HG1#) 1.8 0.0 3.4 {m}   
assign (resid 74 and name HA) (resid 74 and name HB) 1.8 0.0 2.4 {m}   
assign (resid 74 and name HN) (resid 74 and name HB) 1.8 0.0 2.4 {m}   
assign (resid 75 and name HN) (resid 75 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 75 and name HN) (resid 75 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 75 and name HN) (resid 75 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 76 and name HA) (resid 76 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 76 and name HA) (resid 76 and name HD*) 1.8 0.0 3.1 {s}   
assign (resid 76 and name HA) (resid 76 and name HE*) 1.8 0.0 5.2 {w}   
assign (resid 76 and name HD*) (resid 76 and name HB#) 1.8 0.0 4.1 {s}   
assign (resid 76 and name HN) (resid 76 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 76 and name HN) (resid 76 and name HD*) 1.8 0.0 3.1 {s}   
assign (resid 77 and name HA) (resid 77 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 77 and name HN) (resid 77 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 78 and name HN) (resid 78 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 78 and name HN) (resid 78 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 78 and name HN) (resid 78 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 79 and name HN) (resid 79 and name HA#) 1.8 0.0 2.1 {s}   
assign (resid 80 and name HN) (resid 80 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 80 and name HN) (resid 80 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 80 and name HN) (resid 80 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 81 and name HE) (resid 81 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 81 and name HE) (resid 81 and name HD#) 1.8 0.0 2.1 {s}   
assign (resid 81 and name HN) (resid 81 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 81 and name HN) (resid 81 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 81 and name HN) (resid 81 and name HD#) 1.8 0.0 4.2 {w}   
assign (resid 81 and name HN) (resid 81 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 82 and name HA) (resid 82 and name HB) 1.8 0.0 1.1 {s}   
assign (resid 82 and name HA) (resid 82 and name HG2#) 1.8 0.0 2.6 {s}   
assign (resid 82 and name HB) (resid 82 and name HG2#) 1.8 0.0 2.6 {s}   
assign (resid 82 and name HN) (resid 82 and name HA) 1.8 0.0 2.4 {m}  
assign (resid 82 and name HN) (resid 82 and name HG2#) 1.8 0.0 3.9 {m}   
assign (resid 83 and name HN) (resid 83 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 84 and name HN) (resid 84 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 84 and name HN) (resid 84 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 85 and name HA) (resid 85 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 85 and name HN) (resid 85 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 85 and name HN) (resid 85 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 86 and name HN) (resid 86 and name HA#) 1.8 0.0 2.1 {s}   
assign (resid 87 and name HE) (resid 87 and name HD#) 1.8 0.0 4.2 {m}   
assign (resid 87 and name HN) (resid 87 and name HE) 1.8 0.0 3.2 {w}
assign (resid 88 and name HA) (resid 88 and name HB) 1.8 0.0 2.4 {m}   
assign (resid 88 and name HN) (resid 88 and name HA) 1.8 0.0 3.2 {w}      
assign (resid 88 and name HN) (resid 88 and name HB) 1.8 0.0 2.4 {m}   
assign (resid 89 and name HN) (resid 89 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 89 and name HN) (resid 89 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 89 and name HN) (resid 89 and name HD1#) 1.8 0.0 3.9 {m}   
assign (resid 89 and name HN) (resid 89 and name HD2#) 1.8 0.0 3.9 {m}   
assign (resid 89 and name HN) (resid 89 and name HG) 1.8 0.0 2.4 {m}   
assign (resid 90 and name HA) (resid 90 and name HB#) 1.8 0.0 2.6 {s}   
assign (resid 90 and name HN) (resid 90 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 90 and name HN) (resid 90 and name HB#) 1.8 0.0 3.9 {m}   
assign (resid 91 and name HN) (resid 91 and name HB#) 1.8 0.0 4.2 {w}   
assign (resid 91 and name HN) (resid 91 and name HD*) 1.8 0.0 5.2 {w}   
assign (resid 92 and name HG1#) (resid 92 and name HG2#) 1.8 0.0 5.8 {m}   
assign (resid 92 and name HN) (resid 92 and name HA) 1.8 0.0 2.4 {m}   
assign (resid 92 and name HN) (resid 92 and name HD#) 1.8 0.0 2.6 {s}   
assign (resid 92 and name HN) (resid 92 and name HG2#) 1.8 0.0 3.9 {m}   
assign (resid 93 and name HA) (resid 93 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 93 and name HA) (resid 93 and name HD*) 1.8 0.0 3.1 {s}   
assign (resid 93 and name HA) (resid 93 and name HE*) 1.8 0.0 4.4 {m}   
assign (resid 93 and name HN) (resid 93 and name HA) 1.8 0.0 3.2 {w}   
assign (resid 93 and name HN) (resid 93 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 93 and name HN) (resid 93 and name HD*) 1.8 0.0 3.1 {s}   
assign (resid 94 and name HA) (resid 94 and name HB#) 1.8 0.0 2.6 {s}   
assign (resid 94 and name HN) (resid 94 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 94 and name HN) (resid 94 and name HB#) 1.8 0.0 2.6 {s}   
assign (resid 95 and name HA) (resid 95 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 95 and name HB#) (resid 95 and name HA) 1.8 0.0 2.1 {s}  
assign (resid 95 and name HN) (resid 95 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 95 and name HN) (resid 95 and name HB#) 1.8 0.0 3.4 {m}   
assign (resid 96 and name HN) (resid 96 and name HA#) 1.8 0.0 2.1 {s}   
assign (resid 97 and name HN) (resid 97 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 98 and name HN) (resid 98 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 98 and name HN) (resid 98 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 98 and name HN) (resid 98 and name HG#) 1.8 0.0 3.4 {m}   
assign (resid 99 and name HN) (resid 99 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 99 and name HN) (resid 99 and name HB) 1.8 0.0 1.1 {s}  
assign (resid 99 and name HN) (resid 99 and name HB) 1.8 0.0 1.1 {s}   
assign (resid 100 and name HN) (resid 100 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 101 and name HN) (resid 101 and name HA) 1.8 0.0 1.1 {s}   
assign (resid 101 and name HN) (resid 101 and name HB#) 1.8 0.0 2.1 {s}   
assign (resid 103 and name HN) (resid 103 and name HA) 1.8 0.0 2.4 {m}    
assign (resid 103 and name HN) (resid 103 and name HD*) 1.8 0.0 4.8 {m} 
!
!stereo-SPECIFIC ASSIGNMENTS
!
! LONG RANGE
!
assign (resid 13 and name HN) (resid 25 and name HD2#) 1.8 0.0 4.7 {w}   
assign (resid 25 and name HD1#) (resid 12 and name HB#) 1.8 0.0 5.4 {m}   
assign (resid 27 and name HD*) (resid 74 and name HG1#) 1.8 0.0 4.6 {s}
assign (resid 27 and name HD*) (resid 74 and name HG2#) 1.8 0.0 5.9 {m}
assign (resid 27 and name HD*) (resid 88 and name HG1#) 1.8 0.0 6.7 {w}   
assign (resid 28 and name HN) (resid 74 and name HG1#) 1.8 0.0 6.2 {vw}   
assign (resid 30 and name HE21) (resid 88 and name HG1#) 1.8 0.0 4.7 {w}   
assign (resid 34 and name HA) (resid 88 and name HG1#) 1.8 0.0 4.7 {w}
assign (resid 34 and name HB#) (resid 74 and name HG1#) 1.8 0.0 5.7 {w}   
assign (resid 34 and name HD*) (resid 25 and name HD1#) 1.8 0.0 5.9 {m} 
assign (resid 34 and name HD*) (resid 74 and name HG1#) 1.8 0.0 5.9 {m} 
assign (resid 34 and name HD*) (resid 88 and name HG1#) 1.8 0.0 4.6 {s} 
assign (resid 34 and name HE*) (resid 25 and name HD1#) 1.8 0.0 5.9 {m} 
assign (resid 34 and name HE*) (resid 74 and name HG1#) 1.8 0.0 6.7 {w} 
assign (resid 34 and name HE*) (resid 74 and name HG2#) 1.8 0.0 6.7 {w} 
assign (resid 34 and name HE*) (resid 88 and name HG1#) 1.8 0.0 5.9 {m} 
assign (resid 34 and name HZ) (resid 74 and name HG1#) 1.8 0.0 4.7 {w}   
assign (resid 34 and name HZ) (resid 74 and name HG2#) 1.8 0.0 4.7 {w}   
assign (resid 34 and name HZ) (resid 88 and name HG1#) 1.8 0.0 4.7 {w}   
assign (resid 62 and name HA) (resid 99 and name HG1#) 1.8 0.0 4.7 {w}   
assign (resid 62 and name HB) (resid 99 and name HG1#) 1.8 0.0 4.7 {w}   
assign (resid 72 and name HG2#) (resid 25 and name HD1#) 1.8 0.0 4.1 {s}   
assign (resid 72 and name HG2#) (resid 25 and name HD2#) 1.8 0.0 5.4 {m}   
assign (resid 74 and name HG1#) (resid 12 and name HA) 1.8 0.0 4.7 {w}   
assign (resid 74 and name HG1#) (resid 12 and name HB#) 1.8 0.0 6.2 {w}      
assign (resid 74 and name HG1#) (resid 13 and name HG2#) 1.8 0.0 7.7{vw}   
assign (resid 74 and name HG1#) (resid 15 and name HD#) 1.8 0.0 7.7 {vw}
assign (resid 74 and name HG1#) (resid 25 and name HD1#) 1.8 0.0 4.1 {s}   
assign (resid 74 and name HG1#) (resid 25 and name HD2#) 1.8 0.0 4.1 {s}   
assign (resid 74 and name HG1#) (resid 27 and name HA) 1.8 0.0 4.7 {w}   
assign (resid 74 and name HG1#) (resid 27 and name HB#) 1.8 0.0 5.7 {w}   
assign (resid 74 and name HG1#) (resid 90 and name HB#) 1.8 0.0 6.2 {w}   
assign (resid 74 and name HG1#) (resid 92 and name HD#) 1.8 0.0 4.1 {s}   
assign (resid 74 and name HG2#) (resid 12 and name HB#) 1.8 0.0 6.2 {w}      
assign (resid 74 and name HG2#) (resid 25 and name HD1#) 1.8 0.0 4.1 {s}   
assign (resid 74 and name HG2#) (resid 88 and name HG1#) 1.8 0.0 6.2 {w}   
assign (resid 75 and name HN) (resid 7 and name HD*) 1.8 0.0 5.6 {w}   
assign (resid 76 and name HD*) (resid 88 and name HG1#) 1.8 0.0 4.6 {s}   
assign (resid 76 and name HE*) (resid 88 and name HG1#) 1.8 0.0 6.7 {w}   
assign (resid 77 and name HN) (resid 7 and name HD*) 1.8 0.0 5.6 {w}   
assign (resid 80 and name HE21) (resid 88 and name HG1#) 1.8 0.0 4.7 {w}   
assign (resid 80 and name HE22) (resid 88 and name HG1#) 1.8 0.0 4.7 {w}   
assign (resid 88 and name HG1#) (resid 34 and name HB#) 1.8 0.0 5.7 {w}   
assign (resid 91 and name HD*) (resid 74 and name HG1#) 1.8 0.0 6.7 {w}   
assign (resid 91 and name HE*) (resid 7 and name HD*) 1.8 0.0 5.5 {s}   
assign (resid 91 and name HE*) (resid 74 and name HG1#) 1.8 0.0 8.2 {vw}   
assign (resid 92 and name HA) (resid 74 and name HG1#) 1.8 0.0 4.7 {w}   
assign (resid 92 and name HA) (resid 74 and name HG2#) 1.8 0.0 4.7 {w}   
assign (resid 92 and name HG2#) (resid 25 and name HD1#) 1.8 0.0 6.2 {w}   
assign (resid 92 and name HG2#) (resid 74 and name HG1#) 1.8 0.0 4.1 {s} 
assign (resid 92 and name HG2#) (resid 74 and name HG2#) 1.8 0.0 6.2 {w} 
!
! MEDIUM
!
assign (resid 8 and name HN) (resid 7 and name HD*) 1.8 0.0 5.6 {w}   
assign (resid 26 and name HN) (resid 25 and name HD2#) 1.8 0.0 3.9 {m}   
assign (resid 27 and name HN) (resid 25 and name HD2#) 1.8 0.0 4.7 {w}   
assign (resid 67 and name HN) (resid 68 and name HD21) 1.8 0.0 1.1 {s}   
assign (resid 68 and name HD21) (resid 66 and name HN) 1.8 0.0 2.4 {m} 
assign (resid 68 and name HD21) (resid 67 and name HB#) 1.8 0.0 4.2 {w}   
assign (resid 68 and name HD21) (resid 67 and name HB#) 1.8 0.0 4.2 {w}   
assign (resid 68 and name HD21) (resid 69 and name HB#) 1.8 0.0 4.7 {w}   
assign (resid 68 and name HD22) (resid 69 and name HB#) 1.8 0.0 4.7 {w}   
assign (resid 74 and name HG1#) (resid 72 and name HB) 1.8 0.0 4.7 {w}   
assign (resid 74 and name HG2#) (resid 72 and name HG2#) 1.8 0.0 5.4 {m}   
assign (resid 75 and name HN) (resid 74 and name HG2#) 1.8 0.0 4.7 {w}   
assign (resid 76 and name HA) (resid 74 and name HG1#) 1.8 0.0 4.7 {w}   
assign (resid 76 and name HD*) (resid 74 and name HG1#) 1.8 0.0 4.6 {s}   
assign (resid 76 and name HD*) (resid 74 and name HG2#) 1.8 0.0 4.6 {s}   
assign (resid 76 and name HE*) (resid 74 and name HG1#) 1.8 0.0 4.6 {s}   
assign (resid 76 and name HE*) (resid 74 and name HG2#) 1.8 0.0 5.9 {m}   
assign (resid 76 and name HN) (resid 74 and name HG1#) 1.8 0.0 4.7 {w}   
assign (resid 98 and name HN) (resid 99 and name HG1#) 1.8 0.0 4.7 {w}   
assign (resid 98 and name HN) (resid 99 and name HG2#) 1.8 0.0 4.7 {w}   
!
!INTRA-RESIDUE
! 
assign (resid 7 and name HN) (resid 7 and name HD*) 1.8 0.0 3.5 {s}   
assign (resid 25 and name HA) (resid 25 and name HD1#) 1.8 0.0 4.7 {w}   
assign (resid 25 and name HA) (resid 25 and name HD2#) 1.8 0.0 2.6 {s}   
assign (resid 25 and name HN) (resid 25 and name HD1#) 1.8 0.0 6.2 {vw}   
assign (resid 25 and name HN) (resid 25 and name HD2#) 1.8 0.0 3.9 {m}   
assign (resid 68 and name HD21) (resid 68 and name HB#) 1.8 0.0 3.4 {m} 
assign (resid 68 and name HD22) (resid 68 and name HB#) 1.8 0.0 3.4 {m} 
assign (resid 74 and name HA) (resid 74 and name HG1#) 1.8 0.0 2.6 {s}   
assign (resid 74 and name HA) (resid 74 and name HG2#) 1.8 0.0 3.9 {m}   
assign (resid 74 and name HN) (resid 74 and name HG2#) 1.8 0.0 4.7 {w}   
assign (resid 80 and name HE21) (resid 80 and name HG#) 1.8 0.0 2.1 {s}   
assign (resid 80 and name HE22) (resid 80 and name HG#) 1.8 0.0 2.1 {s}   
assign (resid 80 and name HE22) (resid 88 and name HB) 1.8 0.0 3.2 {w}   
assign (resid 88 and name HA) (resid 88 and name HG1#) 1.8 0.0 2.6 {s}   
assign (resid 88 and name HB) (resid 88 and name HG1#) 1.8 0.0 2.6 {s}   
assign (resid 88 and name HB) (resid 88 and name HG2#) 1.8 0.0 2.6 {s}   
assign (resid 88 and name HN) (resid 88 and name HG1#) 1.8 0.0 3.9 {m}   
assign (resid 99 and name HN) (resid 99 and name HG1#) 1.8 0.0 3.9 {m} 
assign (resid 99 and name HN) (resid 99 and name HG2#) 1.8 0.0 3.9 {m} 
!
!!!H-Bonds
!
assign (resid 24 and name HN) (resid 16 and name O) 1.8 0.0 2.3   
assign (resid 24 and name N) (resid 16 and name O) 2.7 0.0 3.3  
assign (resid 26 and name HN) (resid 13 and name O) 1.8 0.0 2.3   
assign (resid 26 and name N) (resid 13 and name O) 2.7 0.0 3.3   
assign (resid 34 and name HN) (resid 23 and name O) 1.8 0.0 2.3   
assign (resid 34 and name N) (resid 23 and name O) 2.7 0.0 3.3   
assign (resid 74 and name HN) (resid 10 and name O) 1.8 0.0 2.3   
assign (resid 74 and name N) (resid 10 and name O) 2.7 0.0 3.3   
assign (resid 76 and name HN) (resid 8 and name O) 1.8 0.0 2.3   
assign (resid 76 and name N) (resid 8 and name O) 2.7 0.0 3.3   
assign (resid 91 and name HN) (resid 75 and name O) 1.8 0.0 2.3   
assign (resid 91 and name N) (resid 75 and name O) 2.7 0.0 3.3   
assign (resid 93 and name HN) (resid 73 and name O) 1.8 0.0 2.3   
assign (resid 93 and name N) (resid 73 and name O) 2.7 0.0 3.3   
assign (resid 95 and name HN) (resid 71 and name O) 1.8 0.0 2.3   
assign (resid 95 and name N) (resid 71 and name O) 2.7 0.0 3.3   

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  866 H/Q atoms
  Start of MODEL    1
    1   1H    ALA   1          2H        ALA   1  -1.266  19.715 -20.071
    2   2H    ALA   1          1H        ALA   1  -2.378  19.179 -21.238
    3   3H    ALA   1          3H        ALA   1  -2.859  19.336 -19.620
    4    HA   ALA   1           HA       ALA   1  -1.407  17.559 -18.946
    5   1HB   ALA   1          2HB       ALA   1  -3.132  16.897 -21.353
    6   2HB   ALA   1          1HB       ALA   1  -2.496  15.703 -20.221
    7   3HB   ALA   1          3HB       ALA   1  -3.649  16.919 -19.667
    8    H    THR   2           H        THR   2   0.565  16.648 -19.271
    9    HA   THR   2           HA       THR   2   1.669  16.626 -22.056
   10    HB   THR   2           HB       THR   2   3.926  16.895 -20.971
   11    HG1  THR   2           HG1      THR   2   3.905  16.590 -18.902
   12   1HG2  THR   2          2HG2      THR   2   1.894  19.081 -20.440
   13   2HG2  THR   2          1HG2      THR   2   3.642  19.309 -20.493
   14   3HG2  THR   2          3HG2      THR   2   2.771  18.824 -21.948
   15    H    SER   3           H        SER   3   2.993  14.807 -22.603
   16    HA   SER   3           HA       SER   3   2.215  12.329 -21.292
   17   1HB   SER   3          2HB       SER   3   3.940  13.056 -23.640
   18   2HB   SER   3          1HB       SER   3   4.064  11.438 -22.956
   19    HG   SER   3           HG       SER   3   1.934  12.695 -24.258
   20    H    THR   4           H        THR   4   3.048  12.299 -19.199
   21    HA   THR   4           HA       THR   4   6.025  12.131 -18.995
   22    HB   THR   4           HB       THR   4   5.128  14.318 -18.114
   23    HG1  THR   4           HG1      THR   4   6.777  14.141 -16.865
   24   1HG2  THR   4          1HG2      THR   4   2.970  13.295 -17.271
   25   2HG2  THR   4          3HG2      THR   4   3.897  12.611 -15.937
   26   3HG2  THR   4          2HG2      THR   4   3.781  14.359 -16.124
   27    H    LYS   5           H        LYS   5   3.938  10.028 -19.245
   28    HA   LYS   5           HA       LYS   5   4.070   8.756 -16.551
   29   1HB   LYS   5          2HB       LYS   5   1.967   8.982 -18.338
   30   2HB   LYS   5          1HB       LYS   5   2.551   7.343 -18.625
   31   1HG   LYS   5          2HG       LYS   5   2.601   7.268 -15.965
   32   2HG   LYS   5          1HG       LYS   5   1.385   8.534 -16.139
   33   1HD   LYS   5          2HD       LYS   5   0.107   6.554 -16.116
   34   2HD   LYS   5          1HD       LYS   5   0.257   6.924 -17.834
   35   1HE   LYS   5          2HE       LYS   5   0.792   4.624 -17.704
   36   2HE   LYS   5          1HE       LYS   5   2.363   5.421 -17.774
   37   1HZ   LYS   5          2HZ       LYS   5   1.026   4.715 -15.223
   38   2HZ   LYS   5          1HZ       LYS   5   2.107   3.672 -16.017
   39   3HZ   LYS   5          3HZ       LYS   5   2.644   5.182 -15.459
   40    H    LYS   6           H        LYS   6   5.234   6.914 -16.235
   41    HA   LYS   6           HA       LYS   6   6.015   5.045 -18.262
   42   1HB   LYS   6          2HB       LYS   6   8.518   5.570 -18.167
   43   2HB   LYS   6          1HB       LYS   6   7.534   6.667 -19.134
   44   1HG   LYS   6          2HG       LYS   6   7.389   8.171 -17.094
   45   2HG   LYS   6          1HG       LYS   6   8.597   7.133 -16.335
   46   1HD   LYS   6          2HD       LYS   6  10.243   7.677 -17.963
   47   2HD   LYS   6          1HD       LYS   6   9.047   8.379 -19.051
   48   1HE   LYS   6          2HE       LYS   6   9.998  10.286 -18.091
   49   2HE   LYS   6          1HE       LYS   6   8.590  10.025 -17.062
   50   1HZ   LYS   6          2HZ       LYS   6  11.250   8.881 -16.433
   51   2HZ   LYS   6          1HZ       LYS   6  10.774  10.421 -15.897
   52   3HZ   LYS   6          3HZ       LYS   6   9.907   9.049 -15.403
   53    H    LEU   7           H        LEU   7   6.811   6.525 -15.142
   54    HA   LEU   7           HA       LEU   7   7.089   5.546 -13.037
   55   1HB   LEU   7          2HB       LEU   7   6.743   2.838 -14.346
   56   2HB   LEU   7          1HB       LEU   7   6.512   3.258 -12.652
   57    HG   LEU   7           HG       LEU   7   4.870   4.845 -14.522
   58   1HD1  LEU   7          2HD1      LEU   7   4.822   1.867 -14.504
   59   2HD1  LEU   7          1HD1      LEU   7   3.262   2.684 -14.421
   60   3HD1  LEU   7          3HD1      LEU   7   4.348   2.993 -15.776
   61   1HD2  LEU   7          1HD2      LEU   7   4.802   4.724 -11.945
   62   2HD2  LEU   7          3HD2      LEU   7   3.257   4.621 -12.789
   63   3HD2  LEU   7          2HD2      LEU   7   4.018   3.159 -12.160
   64    H    HIS   8           H        HIS   8   9.045   5.434 -12.096
   65    HA   HIS   8           HA       HIS   8  11.389   4.626 -13.663
   66   1HB   HIS   8          2HB       HIS   8  11.079   5.673 -10.830
   67   2HB   HIS   8          1HB       HIS   8  12.635   5.321 -11.582
   68    HD1  HIS   8           HD1      HIS   8  10.102   7.939 -11.295
   69    HD2  HIS   8           HD2      HIS   8  13.088   6.948 -14.030
   70    HE1  HIS   8           HE1      HIS   8  10.479   9.997 -12.721
   71    H    LYS   9           H        LYS   9  12.489   3.703 -10.776
   72    HA   LYS   9           HA       LYS   9  11.214   1.207 -10.200
   73   1HB   LYS   9          2HB       LYS   9  13.046  -0.277 -11.180
   74   2HB   LYS   9          1HB       LYS   9  11.923   0.414 -12.344
   75   1HG   LYS   9          2HG       LYS   9  13.528   1.684 -13.327
   76   2HG   LYS   9          1HG       LYS   9  14.262   2.119 -11.783
   77   1HD   LYS   9          2HD       LYS   9  15.835   0.515 -11.985
   78   2HD   LYS   9          1HD       LYS   9  14.625  -0.711 -12.367
   79   1HE   LYS   9          2HE       LYS   9  14.627  -0.105 -14.694
   80   2HE   LYS   9          1HE       LYS   9  15.599   1.332 -14.380
   81   1HZ   LYS   9          1HZ       LYS   9  17.413  -0.100 -13.664
   82   2HZ   LYS   9          3HZ       LYS   9  16.477  -1.479 -13.985
   83   3HZ   LYS   9          2HZ       LYS   9  16.949  -0.459 -15.259
   84    H    GLU  10           H        GLU  10  11.990   0.511  -8.212
   85    HA   GLU  10           HA       GLU  10  14.753   0.899  -7.393
   86   1HB   GLU  10          2HB       GLU  10  13.412   3.175  -7.098
   87   2HB   GLU  10          1HB       GLU  10  12.778   2.364  -5.667
   88   1HG   GLU  10          2HG       GLU  10  15.029   2.003  -4.814
   89   2HG   GLU  10          1HG       GLU  10  15.731   2.663  -6.291
   90    HA   PRO  11           HA       PRO  11  13.364  -2.670  -5.212
   91   1HB   PRO  11          2HB       PRO  11  15.525  -2.363  -3.303
   92   2HB   PRO  11          1HB       PRO  11  15.324  -3.585  -4.566
   93   1HG   PRO  11          2HG       PRO  11  17.171  -1.431  -4.592
   94   2HG   PRO  11          1HG       PRO  11  16.791  -2.512  -5.939
   95   1HD   PRO  11          2HD       PRO  11  16.051   0.290  -5.603
   96   2HD   PRO  11          1HD       PRO  11  15.839  -0.751  -7.027
   97    H    ALA  12           H        ALA  12  12.465  -3.233  -3.136
   98    HA   ALA  12           HA       ALA  12  12.141  -1.029  -1.175
   99   1HB   ALA  12          1HB       ALA  12  10.241  -1.317  -3.034
  100   2HB   ALA  12          3HB       ALA  12   9.695  -2.566  -1.916
  101   3HB   ALA  12          2HB       ALA  12   9.852  -0.897  -1.366
  102    H    THR  13           H        THR  13  10.082  -2.474   0.302
  103    HA   THR  13           HA       THR  13  11.204  -5.128   0.899
  104    HB   THR  13           HB       THR  13  12.628  -3.736   2.305
  105    HG1  THR  13           HG1      THR  13  12.123  -5.477   3.450
  106   1HG2  THR  13          1HG2      THR  13  10.995  -1.783   2.281
  107   2HG2  THR  13          3HG2      THR  13  10.129  -2.609   3.577
  108   3HG2  THR  13          2HG2      THR  13  11.797  -2.092   3.820
  109    H    LEU  14           H        LEU  14   9.452  -6.399   1.130
  110    HA   LEU  14           HA       LEU  14   6.815  -5.430   1.172
  111   1HB   LEU  14          2HB       LEU  14   6.066  -7.676   1.570
  112   2HB   LEU  14          1HB       LEU  14   7.425  -7.721   0.467
  113    HG   LEU  14           HG       LEU  14   7.938  -9.478   1.883
  114   1HD1  LEU  14          2HD1      LEU  14   9.194  -7.060   3.189
  115   2HD1  LEU  14          1HD1      LEU  14   9.611  -8.715   3.618
  116   3HD1  LEU  14          3HD1      LEU  14   9.901  -8.130   1.981
  117   1HD2  LEU  14          2HD2      LEU  14   6.133  -8.112   3.658
  118   2HD2  LEU  14          1HD2      LEU  14   6.619  -9.806   3.659
  119   3HD2  LEU  14          3HD2      LEU  14   7.568  -8.617   4.550
  120    H    ILE  15           H        ILE  15   5.723  -4.386   2.672
  121    HA   ILE  15           HA       ILE  15   6.400  -4.887   5.535
  122    HB   ILE  15           HB       ILE  15   4.919  -2.521   4.331
  123   1HG1  ILE  15          2HG1      ILE  15   7.709  -2.574   5.511
  124   2HG1  ILE  15          1HG1      ILE  15   7.402  -2.720   3.781
  125   1HG2  ILE  15          1HG2      ILE  15   5.865  -3.179   7.131
  126   2HG2  ILE  15          3HG2      ILE  15   5.405  -1.552   6.633
  127   3HG2  ILE  15          2HG2      ILE  15   4.215  -2.852   6.603
  128   1HD1  ILE  15          2HD1      ILE  15   5.948  -0.556   4.148
  129   2HD1  ILE  15          1HD1      ILE  15   6.944  -0.369   5.591
  130   3HD1  ILE  15          3HD1      ILE  15   7.698  -0.417   4.000
  131    H    LYS  16           H        LYS  16   3.554  -4.077   3.497
  132    HA   LYS  16           HA       LYS  16   2.018  -6.329   4.354
  133   1HB   LYS  16          2HB       LYS  16   0.266  -4.774   5.591
  134   2HB   LYS  16          1HB       LYS  16   1.597  -5.514   6.474
  135   1HG   LYS  16          2HG       LYS  16   2.373  -3.483   7.051
  136   2HG   LYS  16          1HG       LYS  16   2.500  -3.026   5.356
  137   1HD   LYS  16          2HD       LYS  16   0.939  -1.467   5.990
  138   2HD   LYS  16          1HD       LYS  16  -0.166  -2.797   5.646
  139   1HE   LYS  16          2HE       LYS  16   1.020  -2.704   8.380
  140   2HE   LYS  16          1HE       LYS  16  -0.191  -1.481   7.993
  141   1HZ   LYS  16          1HZ       LYS  16  -1.693  -3.252   7.298
  142   2HZ   LYS  16          3HZ       LYS  16  -0.529  -4.420   7.697
  143   3HZ   LYS  16          2HZ       LYS  16  -1.216  -3.455   8.916
  144    H    ALA  17           H        ALA  17   1.029  -6.592   2.416
  145    HA   ALA  17           HA       ALA  17   0.231  -4.376   0.713
  146   1HB   ALA  17          3HB       ALA  17  -0.494  -7.325   0.642
  147   2HB   ALA  17          2HB       ALA  17  -0.916  -6.168  -0.619
  148   3HB   ALA  17          1HB       ALA  17   0.775  -6.535  -0.291
  149    H    ILE  18           H        ILE  18  -1.356  -3.063   1.294
  150    HA   ILE  18           HA       ILE  18  -3.460  -3.767   3.144
  151    HB   ILE  18           HB       ILE  18  -2.876  -1.402   1.370
  152   1HG1  ILE  18          2HG1      ILE  18  -3.185  -0.822   4.163
  153   2HG1  ILE  18          1HG1      ILE  18  -2.140  -2.232   4.001
  154   1HG2  ILE  18          3HG2      ILE  18  -5.378  -2.070   2.870
  155   2HG2  ILE  18          2HG2      ILE  18  -4.798  -0.407   2.962
  156   3HG2  ILE  18          1HG2      ILE  18  -5.175  -1.125   1.395
  157   1HD1  ILE  18          2HD1      ILE  18  -0.968  -0.825   2.127
  158   2HD1  ILE  18          1HD1      ILE  18  -1.743   0.546   2.920
  159   3HD1  ILE  18          3HD1      ILE  18  -0.612  -0.467   3.817
  160    H    ASP  19           H        ASP  19  -3.614  -2.854  -0.336
  161    HA   ASP  19           HA       ASP  19  -5.773  -4.839  -0.732
  162   1HB   ASP  19          2HB       ASP  19  -6.061  -1.854  -1.076
  163   2HB   ASP  19          1HB       ASP  19  -7.065  -2.974  -1.991
  164    H    GLY  20           H        GLY  20  -6.443  -3.882  -3.371
  165   1HA   GLY  20          2HA       GLY  20  -4.455  -5.115  -4.964
  166   2HA   GLY  20          1HA       GLY  20  -5.689  -4.022  -5.591
  167    H    ASP  21           H        ASP  21  -5.197  -1.697  -5.626
  168    HA   ASP  21           HA       ASP  21  -2.496  -1.114  -6.396
  169   1HB   ASP  21          2HB       ASP  21  -4.659   0.859  -5.599
  170   2HB   ASP  21          1HB       ASP  21  -3.227   1.201  -6.559
  171    H    THR  22           H        THR  22  -4.230  -0.838  -3.328
  172    HA   THR  22           HA       THR  22  -2.246   0.889  -2.094
  173    HB   THR  22           HB       THR  22  -4.196  -0.871  -0.626
  174    HG1  THR  22           HG1      THR  22  -4.646   1.645  -1.855
  175   1HG2  THR  22          2HG2      THR  22  -2.334   0.611   0.469
  176   2HG2  THR  22          1HG2      THR  22  -3.421   1.942   0.069
  177   3HG2  THR  22          3HG2      THR  22  -3.968   0.646   1.131
  178    H    VAL  23           H        VAL  23  -0.275   0.247  -1.385
  179    HA   VAL  23           HA       VAL  23   0.068  -2.455  -0.231
  180    HB   VAL  23           HB       VAL  23   2.187  -2.726  -1.643
  181   1HG1  VAL  23          1HG1      VAL  23   0.078  -4.018  -1.982
  182   2HG1  VAL  23          3HG1      VAL  23  -0.476  -2.767  -3.096
  183   3HG1  VAL  23          2HG1      VAL  23   0.947  -3.730  -3.490
  184   1HG2  VAL  23          1HG2      VAL  23   0.892  -0.344  -2.923
  185   2HG2  VAL  23          3HG2      VAL  23   2.604  -0.700  -2.694
  186   3HG2  VAL  23          2HG2      VAL  23   1.693  -1.518  -3.965
  187    H    LYS  24           H        LYS  24   1.546  -2.486   1.445
  188    HA   LYS  24           HA       LYS  24   2.905   0.100   2.031
  189   1HB   LYS  24          2HB       LYS  24   1.367  -1.051   3.717
  190   2HB   LYS  24          1HB       LYS  24   2.624  -2.275   3.875
  191   1HG   LYS  24          2HG       LYS  24   3.636  -0.945   5.382
  192   2HG   LYS  24          1HG       LYS  24   3.965   0.191   4.075
  193   1HD   LYS  24          2HD       LYS  24   2.284   1.605   4.702
  194   2HD   LYS  24          1HD       LYS  24   1.217   0.285   5.183
  195   1HE   LYS  24          2HE       LYS  24   3.074   0.003   7.095
  196   2HE   LYS  24          1HE       LYS  24   3.289   1.724   6.774
  197   1HZ   LYS  24          1HZ       LYS  24   0.710   0.400   7.420
  198   2HZ   LYS  24          3HZ       LYS  24   1.633   1.333   8.494
  199   3HZ   LYS  24          2HZ       LYS  24   0.930   2.060   7.129
  200    H    LEU  25           H        LEU  25   5.031   0.255   1.605
  201    HA   LEU  25           HA       LEU  25   6.904  -1.914   2.185
  202   1HB   LEU  25          2HB       LEU  25   7.845  -1.973  -0.136
  203   2HB   LEU  25          1HB       LEU  25   6.228  -2.669  -0.015
  204    HG   LEU  25           HG       LEU  25   6.226   0.217  -0.533
  205   1HD1  LEU  25          3HD1      LEU  25   8.233  -0.399  -1.818
  206   2HD1  LEU  25          2HD1      LEU  25   7.327  -1.681  -2.622
  207   3HD1  LEU  25          1HD1      LEU  25   6.897   0.008  -2.888
  208   1HD2  LEU  25          2HD2      LEU  25   4.325  -1.519  -0.614
  209   2HD2  LEU  25          1HD2      LEU  25   4.422  -0.370  -1.948
  210   3HD2  LEU  25          3HD2      LEU  25   5.018  -2.017  -2.157
  211    H    MET  26           H        MET  26   9.181  -1.151   1.859
  212    HA   MET  26           HA       MET  26   9.325   1.826   2.100
  213   1HB   MET  26          2HB       MET  26  11.465  -0.173   2.891
  214   2HB   MET  26          1HB       MET  26  11.393   1.536   3.307
  215   1HG   MET  26          2HG       MET  26   9.264   1.082   4.549
  216   2HG   MET  26          1HG       MET  26   9.504  -0.637   4.245
  217   1HE   MET  26          1HE       MET  26   9.600  -1.630   6.053
  218   2HE   MET  26          3HE       MET  26  11.282  -2.171   5.954
  219   3HE   MET  26          2HE       MET  26  10.664  -1.473   7.449
  220    H    TYR  27           H        TYR  27   9.613   2.555   0.016
  221    HA   TYR  27           HA       TYR  27  11.291   1.115  -1.894
  222   1HB   TYR  27          2HB       TYR  27  10.532   2.640  -3.479
  223   2HB   TYR  27          1HB       TYR  27   9.216   2.708  -2.311
  224    HD1  TYR  27           HD1      TYR  27   9.281   4.550  -0.519
  225    HD2  TYR  27           HD2      TYR  27  11.794   4.554  -4.002
  226    HE1  TYR  27           HE1      TYR  27   9.712   6.973  -0.207
  227    HE2  TYR  27           HE2      TYR  27  12.224   6.976  -3.691
  228    HH   TYR  27           HH       TYR  27  10.603   8.966  -2.297
  229    H    LYS  28           H        LYS  28  11.682   3.876   0.275
  230    HA   LYS  28           HA       LYS  28  14.574   3.907  -0.405
  231   1HB   LYS  28          2HB       LYS  28  13.215   5.894  -1.330
  232   2HB   LYS  28          1HB       LYS  28  13.044   6.399   0.351
  233   1HG   LYS  28          2HG       LYS  28  15.781   5.771  -0.010
  234   2HG   LYS  28          1HG       LYS  28  15.305   6.729  -1.413
  235   1HD   LYS  28          2HD       LYS  28  14.418   8.482   0.030
  236   2HD   LYS  28          1HD       LYS  28  14.748   7.510   1.464
  237   1HE   LYS  28          2HE       LYS  28  16.741   8.581   1.535
  238   2HE   LYS  28          1HE       LYS  28  17.199   7.552   0.180
  239   1HZ   LYS  28          1HZ       LYS  28  16.317   9.255  -1.326
  240   2HZ   LYS  28          3HZ       LYS  28  15.976  10.253   0.003
  241   3HZ   LYS  28          2HZ       LYS  28  17.585   9.849  -0.364
  242    H    GLY  29           H        GLY  29  13.472   2.379   1.642
  243   1HA   GLY  29          2HA       GLY  29  13.935   1.914   3.894
  244   2HA   GLY  29          1HA       GLY  29  14.905   3.386   3.945
  245    H    GLN  30           H        GLN  30  11.697   3.858   2.787
  246    HA   GLN  30           HA       GLN  30  10.870   4.850   5.477
  247   1HB   GLN  30          2HB       GLN  30  11.440   6.611   3.708
  248   2HB   GLN  30          1HB       GLN  30   9.998   6.066   2.853
  249   1HG   GLN  30          2HG       GLN  30   8.557   6.871   4.480
  250   2HG   GLN  30          1HG       GLN  30   9.754   6.716   5.765
  251   1HE2  GLN  30          2HE2      GLN  30   9.882  10.055   3.357
  252   2HE2  GLN  30          1HE2      GLN  30   9.162   8.638   2.762
  253    HA   PRO  31           HA       PRO  31   7.679   1.778   4.693
  254   1HB   PRO  31          2HB       PRO  31   6.538   2.425   7.241
  255   2HB   PRO  31          1HB       PRO  31   7.530   1.019   6.830
  256   1HG   PRO  31          2HG       PRO  31   8.280   3.305   8.429
  257   2HG   PRO  31          1HG       PRO  31   9.253   1.880   8.045
  258   1HD   PRO  31          2HD       PRO  31   9.543   4.551   6.997
  259   2HD   PRO  31          1HD       PRO  31  10.521   3.119   6.620
  260    H    MET  32           H        MET  32   6.179   2.583   3.257
  261    HA   MET  32           HA       MET  32   4.213   4.574   4.275
  262   1HB   MET  32          2HB       MET  32   5.651   4.779   1.608
  263   2HB   MET  32          1HB       MET  32   4.340   5.830   2.144
  264   1HG   MET  32          2HG       MET  32   5.757   6.447   4.138
  265   2HG   MET  32          1HG       MET  32   7.084   5.552   3.398
  266   1HE   MET  32          3HE       MET  32   7.242   5.713   0.791
  267   2HE   MET  32          2HE       MET  32   7.690   7.258   0.073
  268   3HE   MET  32          1HE       MET  32   8.642   6.605   1.404
  269    H    THR  33           H        THR  33   2.817   4.810   1.781
  270    HA   THR  33           HA       THR  33   2.083   2.038   1.051
  271    HB   THR  33           HB       THR  33   0.531   2.649   2.867
  272    HG1  THR  33           HG1      THR  33  -0.339   1.457   1.182
  273   1HG2  THR  33          3HG2      THR  33   0.716   5.107   2.615
  274   2HG2  THR  33          2HG2      THR  33  -0.203   5.009   1.115
  275   3HG2  THR  33          1HG2      THR  33  -0.964   4.576   2.643
  276    H    PHE  34           H        PHE  34   1.528   1.896  -1.117
  277    HA   PHE  34           HA       PHE  34   1.419   4.498  -2.601
  278   1HB   PHE  34          2HB       PHE  34   2.495   1.917  -3.742
  279   2HB   PHE  34          1HB       PHE  34   2.740   3.557  -4.337
  280    HD1  PHE  34           HD1      PHE  34   3.409   1.390  -1.356
  281    HD2  PHE  34           HD2      PHE  34   4.667   4.743  -3.719
  282    HE1  PHE  34           HE1      PHE  34   5.453   1.594   0.027
  283    HE2  PHE  34           HE2      PHE  34   6.718   4.941  -2.336
  284    HZ   PHE  34           HZ       PHE  34   7.110   3.368  -0.464
  285    H    ARG  35           H        ARG  35  -0.412   4.789  -3.813
  286    HA   ARG  35           HA       ARG  35  -2.056   2.354  -4.395
  287   1HB   ARG  35          2HB       ARG  35  -4.007   3.992  -4.452
  288   2HB   ARG  35          1HB       ARG  35  -3.300   3.703  -2.867
  289   1HG   ARG  35          2HG       ARG  35  -2.198   5.785  -2.849
  290   2HG   ARG  35          1HG       ARG  35  -2.347   5.980  -4.591
  291   1HD   ARG  35          2HD       ARG  35  -3.913   7.464  -3.434
  292   2HD   ARG  35          1HD       ARG  35  -4.795   6.237  -4.346
  293    HE   ARG  35           HE       ARG  35  -4.634   5.085  -1.876
  294   1HH1  ARG  35          1HH2      ARG  35  -4.476   8.300  -1.522
  295   2HH1  ARG  35          2HH2      ARG  35  -6.080   8.553  -0.918
  296   1HH2  ARG  35          2HH1      ARG  35  -7.173   5.355  -1.714
  297   2HH2  ARG  35          1HH1      ARG  35  -7.608   6.883  -1.029
  298    H    LEU  36           H        LEU  36  -0.992   5.503  -5.707
  299    HA   LEU  36           HA       LEU  36  -0.749   6.215  -7.927
  300   1HB   LEU  36          2HB       LEU  36   0.300   3.977  -8.276
  301   2HB   LEU  36          1HB       LEU  36  -1.287   3.303  -8.615
  302    HG   LEU  36           HG       LEU  36  -0.493   5.713 -10.175
  303   1HD1  LEU  36          1HD1      LEU  36   1.123   3.305 -10.039
  304   2HD1  LEU  36          3HD1      LEU  36   0.453   3.519 -11.657
  305   3HD1  LEU  36          2HD1      LEU  36   1.425   4.798 -10.929
  306   1HD2  LEU  36          3HD2      LEU  36  -2.245   3.327 -10.396
  307   2HD2  LEU  36          2HD2      LEU  36  -2.499   4.965 -10.995
  308   3HD2  LEU  36          1HD2      LEU  36  -1.484   3.843 -11.900
  309    H    LEU  37           H        LEU  37  -3.104   3.640  -8.617
  310    HA   LEU  37           HA       LEU  37  -5.073   5.716  -9.426
  311   1HB   LEU  37          2HB       LEU  37  -4.392   3.618 -10.852
  312   2HB   LEU  37          1HB       LEU  37  -5.465   2.746  -9.758
  313    HG   LEU  37           HG       LEU  37  -7.045   4.865 -10.362
  314   1HD1  LEU  37          3HD1      LEU  37  -5.184   5.637 -11.955
  315   2HD1  LEU  37          2HD1      LEU  37  -5.629   4.259 -12.964
  316   3HD1  LEU  37          1HD1      LEU  37  -6.808   5.529 -12.635
  317   1HD2  LEU  37          1HD2      LEU  37  -6.674   2.250 -11.849
  318   2HD2  LEU  37          3HD2      LEU  37  -7.812   2.597 -10.546
  319   3HD2  LEU  37          2HD2      LEU  37  -8.042   3.327 -12.135
  320    H    LEU  38           H        LEU  38  -4.336   3.483  -6.910
  321    HA   LEU  38           HA       LEU  38  -5.345   3.057  -4.877
  322   1HB   LEU  38          2HB       LEU  38  -6.089   5.070  -4.193
  323   2HB   LEU  38          1HB       LEU  38  -6.672   5.504  -5.794
  324    HG   LEU  38           HG       LEU  38  -8.662   3.958  -5.340
  325   1HD1  LEU  38          1HD1      LEU  38  -7.119   3.659  -2.855
  326   2HD1  LEU  38          3HD1      LEU  38  -8.815   4.067  -2.579
  327   3HD1  LEU  38          2HD1      LEU  38  -8.393   2.631  -3.517
  328   1HD2  LEU  38          1HD2      LEU  38  -8.085   6.516  -3.867
  329   2HD2  LEU  38          3HD2      LEU  38  -9.180   6.236  -5.222
  330   3HD2  LEU  38          2HD2      LEU  38  -9.618   5.684  -3.605
  331    H    VAL  39           H        VAL  39  -6.382   1.259  -4.425
  332    HA   VAL  39           HA       VAL  39  -7.916  -0.195  -6.320
  333    HB   VAL  39           HB       VAL  39  -6.502  -0.923  -4.223
  334   1HG1  VAL  39          3HG1      VAL  39  -8.479   0.367  -2.854
  335   2HG1  VAL  39          2HG1      VAL  39  -9.071  -1.293  -2.813
  336   3HG1  VAL  39          1HG1      VAL  39  -7.474  -0.912  -2.173
  337   1HG2  VAL  39          2HG2      VAL  39  -8.708  -2.155  -5.680
  338   2HG2  VAL  39          1HG2      VAL  39  -7.171  -2.855  -5.176
  339   3HG2  VAL  39          3HG2      VAL  39  -8.538  -2.836  -4.062
  340    H    ASP  40           H        ASP  40 -10.073  -1.163  -4.621
  341    HA   ASP  40           HA       ASP  40 -11.778   1.177  -4.073
  342   1HB   ASP  40          2HB       ASP  40 -11.923   0.615  -6.568
  343   2HB   ASP  40          1HB       ASP  40 -12.702  -0.890  -6.085
  344    H    THR  41           H        THR  41 -10.963  -0.480  -2.119
  345    HA   THR  41           HA       THR  41 -12.764  -2.739  -1.748
  346    HB   THR  41           HB       THR  41 -11.286  -1.634   0.582
  347    HG1  THR  41           HG1      THR  41  -9.966  -2.823  -1.629
  348   1HG2  THR  41          3HG2      THR  41 -11.550  -4.358  -0.701
  349   2HG2  THR  41          2HG2      THR  41 -10.710  -4.032   0.815
  350   3HG2  THR  41          1HG2      THR  41 -12.450  -3.769   0.697
  351    HA   PRO  42           HA       PRO  42 -14.642   0.209   1.610
  352   1HB   PRO  42          2HB       PRO  42 -13.944   2.923   1.027
  353   2HB   PRO  42          1HB       PRO  42 -13.476   1.972   2.444
  354   1HG   PRO  42          2HG       PRO  42 -11.804   2.804   0.239
  355   2HG   PRO  42          1HG       PRO  42 -11.335   1.886   1.677
  356   1HD   PRO  42          2HD       PRO  42 -11.638   0.918  -1.024
  357   2HD   PRO  42          1HD       PRO  42 -11.143   0.007   0.414
  358    H    GLU  43           H        GLU  43 -16.697   0.090   0.752
  359    HA   GLU  43           HA       GLU  43 -17.377   1.965  -1.476
  360   1HB   GLU  43          2HB       GLU  43 -18.103  -0.957  -1.180
  361   2HB   GLU  43          1HB       GLU  43 -18.991   0.131  -2.247
  362   1HG   GLU  43          2HG       GLU  43 -15.986  -0.217  -2.388
  363   2HG   GLU  43          1HG       GLU  43 -17.108  -1.171  -3.356
  364    H    THR  44           H        THR  44 -18.255   3.413   0.090
  365    HA   THR  44           HA       THR  44 -20.012   4.373   1.291
  366    HB   THR  44           HB       THR  44 -21.615   1.948   0.417
  367    HG1  THR  44           HG1      THR  44 -21.194   2.793  -1.470
  368   1HG2  THR  44          2HG2      THR  44 -22.606   3.344   2.226
  369   2HG2  THR  44          1HG2      THR  44 -22.472   4.755   1.177
  370   3HG2  THR  44          3HG2      THR  44 -23.536   3.422   0.730
  371    H    LYS  45           H        LYS  45 -19.670   4.366   3.448
  372    HA   LYS  45           HA       LYS  45 -19.423   1.869   4.964
  373   1HB   LYS  45          2HB       LYS  45 -19.237   4.801   5.637
  374   2HB   LYS  45          1HB       LYS  45 -19.361   3.603   6.926
  375   1HG   LYS  45          2HG       LYS  45 -17.388   2.426   6.035
  376   2HG   LYS  45          1HG       LYS  45 -17.262   3.614   4.736
  377   1HD   LYS  45          2HD       LYS  45 -17.023   5.406   6.476
  378   2HD   LYS  45          1HD       LYS  45 -16.981   4.146   7.707
  379   1HE   LYS  45          2HE       LYS  45 -14.713   4.384   7.328
  380   2HE   LYS  45          1HE       LYS  45 -15.085   3.152   6.122
  381   1HZ   LYS  45          1HZ       LYS  45 -15.351   4.910   4.474
  382   2HZ   LYS  45          3HZ       LYS  45 -14.961   6.082   5.637
  383   3HZ   LYS  45          2HZ       LYS  45 -13.796   4.941   5.158
  384    H    HIS  46           H        HIS  46 -21.207   0.776   5.606
  385    HA   HIS  46           HA       HIS  46 -23.803   2.171   5.802
  386   1HB   HIS  46          2HB       HIS  46 -23.016  -0.749   5.994
  387   2HB   HIS  46          1HB       HIS  46 -24.669  -0.173   6.201
  388    HD1  HIS  46           HD1      HIS  46 -21.950  -0.498   3.612
  389    HD2  HIS  46           HD2      HIS  46 -25.955   0.641   3.810
  390    HE1  HIS  46           HE1      HIS  46 -22.753  -0.288   1.221
  391    HA   PRO  47           HA       PRO  47 -23.869   2.703  10.149
  392   1HB   PRO  47          2HB       PRO  47 -26.610   1.864  10.426
  393   2HB   PRO  47          1HB       PRO  47 -25.976   3.515  10.371
  394   1HG   PRO  47          2HG       PRO  47 -27.466   2.133   8.324
  395   2HG   PRO  47          1HG       PRO  47 -26.834   3.784   8.279
  396   1HD   PRO  47          2HD       PRO  47 -25.867   1.487   6.835
  397   2HD   PRO  47          1HD       PRO  47 -25.225   3.142   6.805
  398    H    LYS  48           H        LYS  48 -25.573  -0.236   8.998
  399    HA   LYS  48           HA       LYS  48 -25.226  -1.689  11.477
  400   1HB   LYS  48          2HB       LYS  48 -25.985  -3.643  10.205
  401   2HB   LYS  48          1HB       LYS  48 -26.994  -2.248   9.824
  402   1HG   LYS  48          2HG       LYS  48 -25.136  -1.934   7.908
  403   2HG   LYS  48          1HG       LYS  48 -25.015  -3.681   8.113
  404   1HD   LYS  48          2HD       LYS  48 -27.201  -4.053   7.416
  405   2HD   LYS  48          1HD       LYS  48 -27.736  -2.440   7.885
  406   1HE   LYS  48          2HE       LYS  48 -25.656  -2.535   5.772
  407   2HE   LYS  48          1HE       LYS  48 -27.240  -3.158   5.312
  408   1HZ   LYS  48          3HZ       LYS  48 -28.217  -1.081   6.164
  409   2HZ   LYS  48          2HZ       LYS  48 -26.655  -0.483   6.463
  410   3HZ   LYS  48          1HZ       LYS  48 -27.149  -0.818   4.873
  411    H    LYS  49           H        LYS  49 -23.793  -3.510  11.834
  412    HA   LYS  49           HA       LYS  49 -21.085  -3.045  10.916
  413   1HB   LYS  49          2HB       LYS  49 -22.408  -5.160  12.611
  414   2HB   LYS  49          1HB       LYS  49 -20.725  -5.330  12.113
  415   1HG   LYS  49          2HG       LYS  49 -20.813  -2.714  12.989
  416   2HG   LYS  49          1HG       LYS  49 -21.912  -3.524  14.108
  417   1HD   LYS  49          2HD       LYS  49 -19.215  -4.711  13.468
  418   2HD   LYS  49          1HD       LYS  49 -19.383  -3.467  14.707
  419   1HE   LYS  49          2HE       LYS  49 -20.221  -4.952  16.179
  420   2HE   LYS  49          1HE       LYS  49 -21.434  -5.493  15.019
  421   1HZ   LYS  49          3HZ       LYS  49 -19.740  -6.902  13.990
  422   2HZ   LYS  49          2HZ       LYS  49 -18.612  -6.411  15.160
  423   3HZ   LYS  49          1HZ       LYS  49 -19.981  -7.304  15.619
  424    H    GLY  50           H        GLY  50 -20.042  -3.948   9.196
  425   1HA   GLY  50          2HA       GLY  50 -21.534  -5.940   7.558
  426   2HA   GLY  50          1HA       GLY  50 -20.228  -4.911   6.970
  427    H    VAL  51           H        VAL  51 -18.258  -5.860   6.790
  428    HA   VAL  51           HA       VAL  51 -17.330  -7.861   8.707
  429    HB   VAL  51           HB       VAL  51 -18.744  -9.234   7.190
  430   1HG1  VAL  51          2HG1      VAL  51 -18.320  -7.697   5.187
  431   2HG1  VAL  51          1HG1      VAL  51 -16.775  -8.527   5.005
  432   3HG1  VAL  51          3HG1      VAL  51 -18.284  -9.428   4.858
  433   1HG2  VAL  51          3HG2      VAL  51 -16.659 -10.151   8.234
  434   2HG2  VAL  51          2HG2      VAL  51 -17.062 -10.928   6.704
  435   3HG2  VAL  51          1HG2      VAL  51 -15.778  -9.721   6.768
  436    H    GLU  52           H        GLU  52 -15.106  -7.876   8.770
  437    HA   GLU  52           HA       GLU  52 -13.693  -5.937   7.070
  438   1HB   GLU  52          2HB       GLU  52 -13.298  -6.244   9.575
  439   2HB   GLU  52          1HB       GLU  52 -12.483  -7.754   9.168
  440   1HG   GLU  52          2HG       GLU  52 -11.585  -5.501   7.520
  441   2HG   GLU  52          1HG       GLU  52 -11.290  -5.249   9.240
  442    H    LYS  53           H        LYS  53 -12.574  -6.478   5.262
  443    HA   LYS  53           HA       LYS  53 -11.872  -9.359   4.840
  444   1HB   LYS  53          2HB       LYS  53 -13.702  -8.223   3.351
  445   2HB   LYS  53          1HB       LYS  53 -12.332  -7.435   2.571
  446   1HG   LYS  53          2HG       LYS  53 -11.967  -9.296   1.365
  447   2HG   LYS  53          1HG       LYS  53 -11.657 -10.185   2.856
  448   1HD   LYS  53          2HD       LYS  53 -14.476  -9.659   1.914
  449   2HD   LYS  53          1HD       LYS  53 -13.558 -11.042   1.318
  450   1HE   LYS  53          2HE       LYS  53 -13.574 -10.616   4.267
  451   2HE   LYS  53          1HE       LYS  53 -15.078 -11.175   3.536
  452   1HZ   LYS  53          2HZ       LYS  53 -13.810 -12.967   2.466
  453   2HZ   LYS  53          1HZ       LYS  53 -12.411 -12.458   3.287
  454   3HZ   LYS  53          3HZ       LYS  53 -13.739 -13.050   4.162
  455    H    TYR  54           H        TYR  54  -9.785  -9.792   4.138
  456    HA   TYR  54           HA       TYR  54  -7.785  -7.731   4.537
  457   1HB   TYR  54          2HB       TYR  54  -6.153  -9.450   4.034
  458   2HB   TYR  54          1HB       TYR  54  -7.411 -10.167   5.035
  459    HD1  TYR  54           HD1      TYR  54  -9.073 -11.718   4.057
  460    HD2  TYR  54           HD2      TYR  54  -5.871 -10.081   1.705
  461    HE1  TYR  54           HE1      TYR  54  -9.486 -13.424   2.308
  462    HE2  TYR  54           HE2      TYR  54  -6.286 -11.788  -0.046
  463    HH   TYR  54           HH       TYR  54  -8.834 -13.336  -0.536
  464    H    GLY  55           H        GLY  55  -9.219  -9.271   1.670
  465   1HA   GLY  55          2HA       GLY  55  -8.493  -6.997   0.008
  466   2HA   GLY  55          1HA       GLY  55  -7.545  -8.433  -0.378
  467    HA   PRO  56           HA       PRO  56 -12.046  -8.385  -2.158
  468   1HB   PRO  56          2HB       PRO  56 -11.051  -7.390  -4.693
  469   2HB   PRO  56          1HB       PRO  56 -12.281  -6.683  -3.638
  470   1HG   PRO  56          2HG       PRO  56  -9.668  -5.672  -4.071
  471   2HG   PRO  56          1HG       PRO  56 -10.809  -5.137  -2.832
  472   1HD   PRO  56          2HD       PRO  56  -8.385  -6.753  -2.515
  473   2HD   PRO  56          1HD       PRO  56  -9.371  -5.961  -1.269
  474    H    GLU  57           H        GLU  57 -12.124  -9.122  -4.915
  475    HA   GLU  57           HA       GLU  57 -11.162 -11.867  -4.723
  476   1HB   GLU  57          2HB       GLU  57 -12.127 -11.958  -7.141
  477   2HB   GLU  57          1HB       GLU  57 -13.239 -11.737  -5.794
  478   1HG   GLU  57          2HG       GLU  57 -12.237  -9.172  -6.700
  479   2HG   GLU  57          1HG       GLU  57 -12.943 -10.065  -8.044
  480    H    ALA  58           H        ALA  58 -10.759  -9.861  -7.675
  481    HA   ALA  58           HA       ALA  58  -8.331 -11.168  -8.418
  482   1HB   ALA  58          2HB       ALA  58  -9.559  -8.536  -9.275
  483   2HB   ALA  58          1HB       ALA  58  -8.089  -9.189 -10.000
  484   3HB   ALA  58          3HB       ALA  58  -9.607 -10.077 -10.133
  485    H    SER  59           H        SER  59  -8.970  -8.166  -6.637
  486    HA   SER  59           HA       SER  59  -6.272  -7.212  -6.544
  487   1HB   SER  59          2HB       SER  59  -8.787  -6.691  -5.060
  488   2HB   SER  59          1HB       SER  59  -7.294  -6.250  -4.235
  489    HG   SER  59           HG       SER  59  -8.508  -4.836  -6.001
  490    H    ALA  60           H        ALA  60  -7.972  -9.700  -4.704
  491    HA   ALA  60           HA       ALA  60  -6.199  -9.868  -2.460
  492   1HB   ALA  60          2HB       ALA  60  -8.077 -11.766  -3.809
  493   2HB   ALA  60          1HB       ALA  60  -6.913 -12.424  -2.662
  494   3HB   ALA  60          3HB       ALA  60  -8.067 -11.197  -2.141
  495    H    PHE  61           H        PHE  61  -6.051 -11.362  -5.688
  496    HA   PHE  61           HA       PHE  61  -3.639 -12.877  -5.193
  497   1HB   PHE  61          2HB       PHE  61  -4.724 -11.860  -7.842
  498   2HB   PHE  61          1HB       PHE  61  -3.566 -13.173  -7.619
  499    HD1  PHE  61           HD1      PHE  61  -4.370 -15.084  -5.944
  500    HD2  PHE  61           HD2      PHE  61  -6.983 -12.406  -8.055
  501    HE1  PHE  61           HE1      PHE  61  -6.241 -16.687  -5.660
  502    HE2  PHE  61           HE2      PHE  61  -8.855 -14.009  -7.772
  503    HZ   PHE  61           HZ       PHE  61  -8.483 -16.149  -6.574
  504    H    THR  62           H        THR  62  -4.341  -9.616  -6.346
  505    HA   THR  62           HA       THR  62  -1.692  -8.886  -7.178
  506    HB   THR  62           HB       THR  62  -3.959  -7.189  -6.070
  507    HG1  THR  62           HG1      THR  62  -3.102  -7.768  -8.712
  508   1HG2  THR  62          1HG2      THR  62  -1.278  -6.503  -7.227
  509   2HG2  THR  62          3HG2      THR  62  -2.645  -5.425  -7.509
  510   3HG2  THR  62          2HG2      THR  62  -2.121  -5.773  -5.860
  511    H    LYS  63           H        LYS  63  -3.291  -9.113  -4.068
  512    HA   LYS  63           HA       LYS  63  -1.460  -7.596  -2.468
  513   1HB   LYS  63          2HB       LYS  63  -3.817  -8.966  -2.033
  514   2HB   LYS  63          1HB       LYS  63  -2.640  -9.988  -1.213
  515   1HG   LYS  63          2HG       LYS  63  -2.015  -8.302   0.278
  516   2HG   LYS  63          1HG       LYS  63  -2.599  -7.016  -0.778
  517   1HD   LYS  63          2HD       LYS  63  -4.635  -8.975   0.140
  518   2HD   LYS  63          1HD       LYS  63  -3.988  -7.890   1.372
  519   1HE   LYS  63          2HE       LYS  63  -5.847  -6.731   0.450
  520   2HE   LYS  63          1HE       LYS  63  -4.431  -5.991  -0.291
  521   1HZ   LYS  63          1HZ       LYS  63  -5.878  -8.232  -1.571
  522   2HZ   LYS  63          3HZ       LYS  63  -6.334  -6.617  -1.815
  523   3HZ   LYS  63          2HZ       LYS  63  -4.785  -7.139  -2.280
  524    H    LYS  64           H        LYS  64  -1.376 -10.843  -3.804
  525    HA   LYS  64           HA       LYS  64   0.724 -11.828  -2.084
  526   1HB   LYS  64          2HB       LYS  64  -0.584 -12.760  -4.615
  527   2HB   LYS  64          1HB       LYS  64   0.930 -13.512  -4.110
  528   1HG   LYS  64          2HG       LYS  64  -0.369 -14.840  -2.814
  529   2HG   LYS  64          1HG       LYS  64  -0.496 -13.436  -1.755
  530   1HD   LYS  64          2HD       LYS  64  -2.424 -12.771  -3.475
  531   2HD   LYS  64          1HD       LYS  64  -2.476 -14.517  -3.713
  532   1HE   LYS  64          2HE       LYS  64  -3.970 -14.255  -1.941
  533   2HE   LYS  64          1HE       LYS  64  -2.469 -14.589  -1.080
  534   1HZ   LYS  64          2HZ       LYS  64  -3.477 -11.862  -1.698
  535   2HZ   LYS  64          1HZ       LYS  64  -3.700 -12.652  -0.208
  536   3HZ   LYS  64          3HZ       LYS  64  -2.135 -12.259  -0.732
  537    H    MET  65           H        MET  65   0.690 -10.167  -5.215
  538    HA   MET  65           HA       MET  65   3.556 -10.561  -5.649
  539   1HB   MET  65          2HB       MET  65   1.327  -9.110  -6.990
  540   2HB   MET  65          1HB       MET  65   2.939  -8.432  -7.221
  541   1HG   MET  65          2HG       MET  65   2.384 -10.092  -8.979
  542   2HG   MET  65          1HG       MET  65   3.763 -10.607  -8.007
  543   1HE   MET  65          2HE       MET  65   4.154 -12.376  -7.234
  544   2HE   MET  65          1HE       MET  65   3.205 -12.863  -5.832
  545   3HE   MET  65          3HE       MET  65   3.215 -13.865  -7.289
  546    H    LEU  66           H        LEU  66   3.510  -9.823  -3.151
  547    HA   LEU  66           HA       LEU  66   4.994  -7.423  -2.902
  548   1HB   LEU  66          2HB       LEU  66   2.627  -6.547  -3.395
  549   2HB   LEU  66          1HB       LEU  66   2.190  -7.169  -1.805
  550    HG   LEU  66           HG       LEU  66   4.588  -5.753  -1.417
  551   1HD1  LEU  66          3HD1      LEU  66   2.672  -4.384  -3.311
  552   2HD1  LEU  66          2HD1      LEU  66   3.801  -3.485  -2.298
  553   3HD1  LEU  66          1HD1      LEU  66   4.409  -4.616  -3.506
  554   1HD2  LEU  66          1HD2      LEU  66   2.648  -5.967   0.122
  555   2HD2  LEU  66          3HD2      LEU  66   3.128  -4.283  -0.088
  556   3HD2  LEU  66          2HD2      LEU  66   1.712  -4.906  -0.932
  557    H    GLU  67           H        GLU  67   2.937  -9.900  -1.373
  558    HA   GLU  67           HA       GLU  67   3.948  -9.341   1.314
  559   1HB   GLU  67          2HB       GLU  67   1.907 -10.297   1.617
  560   2HB   GLU  67          1HB       GLU  67   1.937 -11.082   0.046
  561   1HG   GLU  67          2HG       GLU  67   2.054 -12.964   1.344
  562   2HG   GLU  67          1HG       GLU  67   3.774 -12.602   1.313
  563    H    ASN  68           H        ASN  68   4.860 -11.366  -1.382
  564    HA   ASN  68           HA       ASN  68   7.057 -12.499   0.297
  565   1HB   ASN  68          2HB       ASN  68   6.886 -14.592  -1.012
  566   2HB   ASN  68          1HB       ASN  68   5.390 -14.243  -0.149
  567   1HD2  ASN  68          2HD2      ASN  68   3.603 -13.397  -3.210
  568   2HD2  ASN  68          1HD2      ASN  68   3.706 -12.905  -1.587
  569    H    ALA  69           H        ALA  69   6.647 -10.260  -1.935
  570    HA   ALA  69           HA       ALA  69   8.538 -11.149  -3.990
  571   1HB   ALA  69          1HB       ALA  69   6.576  -9.389  -4.171
  572   2HB   ALA  69          3HB       ALA  69   7.801  -8.267  -3.577
  573   3HB   ALA  69          2HB       ALA  69   8.066  -9.147  -5.082
  574    H    LYS  70           H        LYS  70  10.686 -11.161  -3.662
  575    HA   LYS  70           HA       LYS  70  11.860  -9.649  -1.409
  576   1HB   LYS  70          2HB       LYS  70  12.953 -11.706  -3.345
  577   2HB   LYS  70          1HB       LYS  70  13.989 -10.837  -2.214
  578   1HG   LYS  70          2HG       LYS  70  11.959 -11.655  -0.563
  579   2HG   LYS  70          1HG       LYS  70  12.044 -12.999  -1.703
  580   1HD   LYS  70          2HD       LYS  70  13.774 -13.763  -0.466
  581   2HD   LYS  70          1HD       LYS  70  14.716 -12.445  -1.163
  582   1HE   LYS  70          2HE       LYS  70  12.986 -11.945   1.250
  583   2HE   LYS  70          1HE       LYS  70  14.584 -12.664   1.441
  584   1HZ   LYS  70          3HZ       LYS  70  15.491 -10.774   0.169
  585   2HZ   LYS  70          2HZ       LYS  70  13.947 -10.065   0.153
  586   3HZ   LYS  70          1HZ       LYS  70  14.762 -10.299   1.625
  587    H    LYS  71           H        LYS  71  12.533 -10.030  -4.906
  588    HA   LYS  71           HA       LYS  71  14.060  -7.516  -4.973
  589   1HB   LYS  71          2HB       LYS  71  13.222  -9.558  -7.041
  590   2HB   LYS  71          1HB       LYS  71  13.920  -8.012  -7.523
  591   1HG   LYS  71          2HG       LYS  71  15.367  -9.493  -5.389
  592   2HG   LYS  71          1HG       LYS  71  15.425 -10.201  -7.002
  593   1HD   LYS  71          2HD       LYS  71  15.835  -7.431  -7.368
  594   2HD   LYS  71          1HD       LYS  71  16.832  -7.886  -5.987
  595   1HE   LYS  71          2HE       LYS  71  16.845  -9.661  -8.401
  596   2HE   LYS  71          1HE       LYS  71  17.750  -8.150  -8.464
  597   1HZ   LYS  71          2HZ       LYS  71  18.024 -10.166  -6.299
  598   2HZ   LYS  71          1HZ       LYS  71  19.054 -10.071  -7.648
  599   3HZ   LYS  71          3HZ       LYS  71  18.988  -8.786  -6.542
  600    H    ILE  72           H        ILE  72  13.024  -5.542  -5.164
  601    HA   ILE  72           HA       ILE  72  10.367  -5.534  -6.505
  602    HB   ILE  72           HB       ILE  72  11.200  -3.865  -4.111
  603   1HG1  ILE  72          2HG1      ILE  72   9.162  -6.104  -4.233
  604   2HG1  ILE  72          1HG1      ILE  72  10.792  -6.299  -3.601
  605   1HG2  ILE  72          1HG2      ILE  72   8.723  -3.980  -5.813
  606   2HG2  ILE  72          3HG2      ILE  72   8.633  -3.448  -4.133
  607   3HG2  ILE  72          2HG2      ILE  72   9.638  -2.568  -5.283
  608   1HD1  ILE  72          1HD1      ILE  72   8.715  -4.351  -2.553
  609   2HD1  ILE  72          3HD1      ILE  72   9.157  -5.879  -1.792
  610   3HD1  ILE  72          2HD1      ILE  72  10.339  -4.575  -1.901
  611    H    GLU  73           H        GLU  73   9.860  -3.390  -7.429
  612    HA   GLU  73           HA       GLU  73  12.164  -1.603  -7.813
  613   1HB   GLU  73          2HB       GLU  73  10.799  -3.112 -10.070
  614   2HB   GLU  73          1HB       GLU  73  11.701  -1.624 -10.344
  615   1HG   GLU  73          2HG       GLU  73  12.815  -4.158  -9.094
  616   2HG   GLU  73          1HG       GLU  73  13.118  -3.611 -10.738
  617    H    VAL  74           H        VAL  74  10.241  -0.829  -6.297
  618    HA   VAL  74           HA       VAL  74   7.737   0.005  -7.127
  619    HB   VAL  74           HB       VAL  74   8.882   2.290  -5.794
  620   1HG1  VAL  74          3HG1      VAL  74   6.550   1.302  -5.699
  621   2HG1  VAL  74          2HG1      VAL  74   7.209   0.062  -4.632
  622   3HG1  VAL  74          1HG1      VAL  74   7.242   1.756  -4.140
  623   1HG2  VAL  74          3HG2      VAL  74   9.708  -0.409  -4.696
  624   2HG2  VAL  74          2HG2      VAL  74  10.722   1.007  -4.980
  625   3HG2  VAL  74          1HG2      VAL  74   9.541   1.016  -3.674
  626    H    GLU  75           H        GLU  75   7.324   0.758  -9.124
  627    HA   GLU  75           HA       GLU  75   9.167   2.702 -10.371
  628   1HB   GLU  75          2HB       GLU  75   6.675   1.390 -11.495
  629   2HB   GLU  75          1HB       GLU  75   7.871   2.311 -12.404
  630   1HG   GLU  75          2HG       GLU  75   9.562   0.567 -11.373
  631   2HG   GLU  75          1HG       GLU  75   8.118  -0.422 -11.195
  632    H    PHE  76           H        PHE  76   8.837   4.755  -9.704
  633    HA   PHE  76           HA       PHE  76   6.047   5.740  -9.352
  634   1HB   PHE  76          2HB       PHE  76   8.668   7.058  -8.554
  635   2HB   PHE  76          1HB       PHE  76   7.058   7.671  -8.201
  636    HD1  PHE  76           HD2      PHE  76   6.486   4.336  -7.911
  637    HD2  PHE  76           HD1      PHE  76   8.746   7.417  -5.955
  638    HE1  PHE  76           HE2      PHE  76   6.437   3.039  -5.816
  639    HE2  PHE  76           HE1      PHE  76   8.696   6.113  -3.853
  640    HZ   PHE  76           HZ       PHE  76   7.554   3.915  -3.784
  641    H    ASP  77           H        ASP  77   5.283   6.546 -11.257
  642    HA   ASP  77           HA       ASP  77   6.791   7.280 -13.517
  643   1HB   ASP  77          2HB       ASP  77   4.769   8.313 -14.381
  644   2HB   ASP  77          1HB       ASP  77   4.329   6.847 -13.507
  645    H    LYS  78           H        LYS  78   7.328   9.336 -14.453
  646    HA   LYS  78           HA       LYS  78   8.659  11.189 -12.818
  647   1HB   LYS  78          2HB       LYS  78   8.869  11.055 -15.311
  648   2HB   LYS  78          1HB       LYS  78   7.287  11.815 -15.454
  649   1HG   LYS  78          2HG       LYS  78   8.693  13.667 -15.625
  650   2HG   LYS  78          1HG       LYS  78   8.355  13.653 -13.894
  651   1HD   LYS  78          2HD       LYS  78  10.445  12.428 -13.478
  652   2HD   LYS  78          1HD       LYS  78  10.781  12.393 -15.209
  653   1HE   LYS  78          2HE       LYS  78  12.018  14.254 -14.566
  654   2HE   LYS  78          1HE       LYS  78  10.489  15.011 -15.008
  655   1HZ   LYS  78          1HZ       LYS  78   9.824  14.913 -12.674
  656   2HZ   LYS  78          3HZ       LYS  78  11.322  14.228 -12.264
  657   3HZ   LYS  78          2HZ       LYS  78  11.252  15.812 -12.874
  658    H    GLY  79           H        GLY  79   7.903  12.649 -11.357
  659   1HA   GLY  79          2HA       GLY  79   6.447  14.209 -10.332
  660   2HA   GLY  79          1HA       GLY  79   5.440  14.160 -11.789
  661    H    GLN  80           H        GLN  80   6.112  12.578  -8.721
  662    HA   GLN  80           HA       GLN  80   4.533  10.291  -8.911
  663   1HB   GLN  80          2HB       GLN  80   4.668  10.133  -6.602
  664   2HB   GLN  80          1HB       GLN  80   6.014  11.207  -6.955
  665   1HG   GLN  80          2HG       GLN  80   5.106  12.797  -5.656
  666   2HG   GLN  80          1HG       GLN  80   3.643  12.796  -6.640
  667   1HE2  GLN  80          2HE2      GLN  80   3.670  10.855  -3.062
  668   2HE2  GLN  80          1HE2      GLN  80   5.077  11.589  -3.662
  669    H    ARG  81           H        ARG  81   2.376   9.807  -8.201
  670    HA   ARG  81           HA       ARG  81   0.430  11.714  -9.209
  671   1HB   ARG  81          2HB       ARG  81   0.573   8.899  -8.649
  672   2HB   ARG  81          1HB       ARG  81  -0.856   9.560  -7.857
  673   1HG   ARG  81          2HG       ARG  81  -0.343  10.483 -10.639
  674   2HG   ARG  81          1HG       ARG  81  -0.850   8.805 -10.447
  675   1HD   ARG  81          2HD       ARG  81  -2.973   9.456 -10.098
  676   2HD   ARG  81          1HD       ARG  81  -2.465  10.460  -8.740
  677    HE   ARG  81           HE       ARG  81  -1.809  11.987 -10.953
  678   1HH1  ARG  81          2HH1      ARG  81  -3.957  10.826 -12.532
  679   2HH1  ARG  81          1HH1      ARG  81  -5.355  11.734 -12.064
  680   1HH2  ARG  81          1HH2      ARG  81  -3.903  12.977  -9.161
  681   2HH2  ARG  81          2HH2      ARG  81  -5.325  12.955 -10.149
  682    H    THR  82           H        THR  82   1.276  13.296  -7.347
  683    HA   THR  82           HA       THR  82   0.140  12.836  -4.710
  684    HB   THR  82           HB       THR  82   0.710  15.484  -4.697
  685    HG1  THR  82           HG1      THR  82   1.446  15.825  -6.673
  686   1HG2  THR  82          3HG2      THR  82   1.881  13.142  -3.748
  687   2HG2  THR  82          2HG2      THR  82   3.194  13.973  -4.583
  688   3HG2  THR  82          1HG2      THR  82   2.317  14.787  -3.288
  689    H    ASP  83           H        ASP  83  -1.177  14.863  -3.887
  690    HA   ASP  83           HA       ASP  83  -3.025  16.088  -5.739
  691   1HB   ASP  83          2HB       ASP  83  -3.885  13.742  -5.714
  692   2HB   ASP  83          1HB       ASP  83  -4.155  13.890  -3.979
  693    H    LYS  84           H        LYS  84  -4.209  15.045  -2.590
  694    HA   LYS  84           HA       LYS  84  -3.955  17.857  -1.661
  695   1HB   LYS  84          2HB       LYS  84  -6.162  16.205  -1.710
  696   2HB   LYS  84          1HB       LYS  84  -5.596  16.019  -0.050
  697   1HG   LYS  84          2HG       LYS  84  -6.994  17.890   0.115
  698   2HG   LYS  84          1HG       LYS  84  -5.407  18.630  -0.091
  699   1HD   LYS  84          2HD       LYS  84  -6.765  17.995  -2.629
  700   2HD   LYS  84          1HD       LYS  84  -7.607  19.194  -1.645
  701   1HE   LYS  84          2HE       LYS  84  -5.043  20.080  -1.411
  702   2HE   LYS  84          1HE       LYS  84  -4.996  19.387  -3.031
  703   1HZ   LYS  84          1HZ       LYS  84  -6.991  21.362  -2.060
  704   2HZ   LYS  84          3HZ       LYS  84  -5.670  21.712  -3.064
  705   3HZ   LYS  84          2HZ       LYS  84  -6.920  20.708  -3.627
  706    H    TYR  85           H        TYR  85  -3.835  14.544  -0.293
  707    HA   TYR  85           HA       TYR  85  -2.184  15.444   1.952
  708   1HB   TYR  85          2HB       TYR  85  -3.786  13.595   2.258
  709   2HB   TYR  85          1HB       TYR  85  -2.948  12.652   1.027
  710    HD1  TYR  85           HD1      TYR  85  -2.361  14.403   4.289
  711    HD2  TYR  85           HD2      TYR  85  -1.169  11.243   1.633
  712    HE1  TYR  85           HE1      TYR  85  -0.782  13.557   6.004
  713    HE2  TYR  85           HE2      TYR  85   0.410  10.398   3.347
  714    HH   TYR  85           HH       TYR  85   0.315  10.856   6.320
  715    H    GLY  86           H        GLY  86  -1.684  14.104  -1.249
  716   1HA   GLY  86          2HA       GLY  86   0.306  13.876  -2.466
  717   2HA   GLY  86          1HA       GLY  86   1.158  14.634  -1.121
  718    H    ARG  87           H        ARG  87  -0.761  11.595  -1.304
  719    HA   ARG  87           HA       ARG  87   1.127  10.162   0.350
  720   1HB   ARG  87          2HB       ARG  87  -1.451   9.735  -0.275
  721   2HB   ARG  87          1HB       ARG  87  -0.713   8.690  -1.484
  722   1HG   ARG  87          2HG       ARG  87   0.539   7.509   0.261
  723   2HG   ARG  87          1HG       ARG  87  -0.130   8.584   1.487
  724   1HD   ARG  87          2HD       ARG  87  -1.473   6.633   1.587
  725   2HD   ARG  87          1HD       ARG  87  -2.437   7.802   0.678
  726    HE   ARG  87           HE       ARG  87  -1.157   6.470  -1.340
  727   1HH1  ARG  87          2HH1      ARG  87  -3.846   6.016   0.584
  728   2HH1  ARG  87          1HH1      ARG  87  -4.012   4.319   0.282
  729   1HH2  ARG  87          1HH2      ARG  87  -0.947   4.035  -1.325
  730   2HH2  ARG  87          2HH2      ARG  87  -2.369   3.198  -0.807
  731    H    VAL  88           H        VAL  88   2.025   7.947  -0.662
  732    HA   VAL  88           HA       VAL  88   3.708   8.764  -2.939
  733    HB   VAL  88           HB       VAL  88   3.857   5.973  -1.911
  734   1HG1  VAL  88          2HG1      VAL  88   5.756   8.191  -2.689
  735   2HG1  VAL  88          1HG1      VAL  88   6.335   6.741  -1.869
  736   3HG1  VAL  88          3HG1      VAL  88   5.549   6.610  -3.442
  737   1HG2  VAL  88          2HG2      VAL  88   4.405   8.413  -0.211
  738   2HG2  VAL  88          1HG2      VAL  88   3.512   6.955   0.223
  739   3HG2  VAL  88          3HG2      VAL  88   5.266   6.898   0.052
  740    H    LEU  89           H        LEU  89   1.622   8.885  -4.237
  741    HA   LEU  89           HA       LEU  89   0.223   6.481  -4.931
  742   1HB   LEU  89          2HB       LEU  89   0.431   9.134  -6.360
  743   2HB   LEU  89          1HB       LEU  89  -0.684   7.853  -6.817
  744    HG   LEU  89           HG       LEU  89  -0.937   9.842  -4.717
  745   1HD1  LEU  89          3HD1      LEU  89  -2.774   7.690  -5.804
  746   2HD1  LEU  89          2HD1      LEU  89  -3.284   9.042  -4.793
  747   3HD1  LEU  89          1HD1      LEU  89  -2.636   9.342  -6.405
  748   1HD2  LEU  89          3HD2      LEU  89  -1.005   6.935  -3.907
  749   2HD2  LEU  89          2HD2      LEU  89  -0.220   8.281  -3.088
  750   3HD2  LEU  89          1HD2      LEU  89  -1.977   8.145  -3.075
  751    H    ALA  90           H        ALA  90   1.467   4.842  -5.696
  752    HA   ALA  90           HA       ALA  90   2.453   5.057  -8.430
  753   1HB   ALA  90          3HB       ALA  90   4.282   5.841  -6.628
  754   2HB   ALA  90          2HB       ALA  90   4.552   4.100  -6.555
  755   3HB   ALA  90          1HB       ALA  90   4.717   4.954  -8.088
  756    H    TYR  91           H        TYR  91   3.791   2.800  -8.797
  757    HA   TYR  91           HA       TYR  91   2.149   0.657  -7.530
  758   1HB   TYR  91          2HB       TYR  91   2.870   1.115 -10.391
  759   2HB   TYR  91          1HB       TYR  91   2.675  -0.541  -9.816
  760    HD1  TYR  91           HD1      TYR  91   0.572   0.191  -7.626
  761    HD2  TYR  91           HD2      TYR  91   0.892   1.120 -11.811
  762    HE1  TYR  91           HE1      TYR  91  -1.884   0.467  -7.748
  763    HE2  TYR  91           HE2      TYR  91  -1.569   1.392 -11.927
  764    HH   TYR  91           HH       TYR  91  -3.624   0.313 -10.314
  765    H    ILE  92           H        ILE  92   3.126  -1.383  -7.250
  766    HA   ILE  92           HA       ILE  92   6.066  -1.189  -6.852
  767    HB   ILE  92           HB       ILE  92   4.403  -3.476  -5.832
  768   1HG1  ILE  92          2HG1      ILE  92   3.076  -1.520  -5.204
  769   2HG1  ILE  92          1HG1      ILE  92   3.900  -2.148  -3.779
  770   1HG2  ILE  92          3HG2      ILE  92   6.909  -2.012  -5.031
  771   2HG2  ILE  92          2HG2      ILE  92   6.045  -3.017  -3.866
  772   3HG2  ILE  92          1HG2      ILE  92   6.683  -3.733  -5.346
  773   1HD1  ILE  92          2HD1      ILE  92   4.944   0.146  -5.467
  774   2HD1  ILE  92          1HD1      ILE  92   4.025   0.350  -3.976
  775   3HD1  ILE  92          3HD1      ILE  92   5.605  -0.429  -3.937
  776    H    TYR  93           H        TYR  93   7.436  -2.539  -7.947
  777    HA   TYR  93           HA       TYR  93   6.169  -4.502  -9.810
  778   1HB   TYR  93          2HB       TYR  93   8.530  -2.654 -10.262
  779   2HB   TYR  93          1HB       TYR  93   8.045  -3.931 -11.380
  780    HD1  TYR  93           HD1      TYR  93   6.477  -1.084  -9.461
  781    HD2  TYR  93           HD2      TYR  93   6.593  -3.362 -13.095
  782    HE1  TYR  93           HE1      TYR  93   4.761   0.379 -10.437
  783    HE2  TYR  93           HE2      TYR  93   4.878  -1.898 -14.075
  784    HH   TYR  93           HH       TYR  93   2.879  -0.139 -12.569
  785    H    ALA  94           H        ALA  94   6.573  -5.972  -7.928
  786    HA   ALA  94           HA       ALA  94   9.346  -6.961  -7.986
  787   1HB   ALA  94          3HB       ALA  94   8.703  -5.821  -5.842
  788   2HB   ALA  94          2HB       ALA  94   7.461  -7.048  -5.623
  789   3HB   ALA  94          1HB       ALA  94   9.162  -7.508  -5.633
  790    H    ASP  95           H        ASP  95   9.565  -9.171  -8.167
  791    HA   ASP  95           HA       ASP  95   8.963 -11.332  -8.870
  792   1HB   ASP  95          2HB       ASP  95   7.203 -10.717  -6.508
  793   2HB   ASP  95          1HB       ASP  95   7.028 -12.254  -7.355
  794    H    GLY  96           H        GLY  96   8.232 -10.593 -10.981
  795   1HA   GLY  96          2HA       GLY  96   6.386 -11.364 -12.484
  796   2HA   GLY  96          1HA       GLY  96   5.254 -10.719 -11.293
  797    H    LYS  97           H        LYS  97   6.698  -8.295 -10.729
  798    HA   LYS  97           HA       LYS  97   7.038  -6.123 -11.522
  799   1HB   LYS  97          2HB       LYS  97   8.063  -7.705 -13.559
  800   2HB   LYS  97          1HB       LYS  97   6.898  -6.675 -14.392
  801   1HG   LYS  97          2HG       LYS  97   7.968  -4.727 -13.072
  802   2HG   LYS  97          1HG       LYS  97   9.289  -5.849 -12.744
  803   1HD   LYS  97          2HD       LYS  97   9.946  -5.945 -14.968
  804   2HD   LYS  97          1HD       LYS  97   8.334  -5.548 -15.569
  805   1HE   LYS  97          2HE       LYS  97   8.725  -3.242 -14.427
  806   2HE   LYS  97          1HE       LYS  97  10.426  -3.701 -14.430
  807   1HZ   LYS  97          3HZ       LYS  97  10.236  -4.093 -16.837
  808   2HZ   LYS  97          2HZ       LYS  97   8.636  -3.520 -16.793
  809   3HZ   LYS  97          1HZ       LYS  97   9.925  -2.479 -16.415
  810    H    MET  98           H        MET  98   5.470  -4.643 -11.547
  811    HA   MET  98           HA       MET  98   3.520  -3.482 -12.122
  812   1HB   MET  98          2HB       MET  98   4.125  -4.632 -14.473
  813   2HB   MET  98          1HB       MET  98   2.637  -5.511 -14.118
  814   1HG   MET  98          2HG       MET  98   1.401  -3.434 -13.876
  815   2HG   MET  98          1HG       MET  98   2.882  -2.491 -14.045
  816   1HE   MET  98          2HE       MET  98   1.113  -5.519 -15.762
  817   2HE   MET  98          1HE       MET  98  -0.043  -4.192 -15.684
  818   3HE   MET  98          3HE       MET  98   0.544  -4.770 -17.251
  819    H    VAL  99           H        VAL  99   3.722  -6.402 -10.668
  820    HA   VAL  99           HA       VAL  99   2.313  -7.660  -9.338
  821    HB   VAL  99           HB       VAL  99   1.695  -5.010  -8.991
  822   1HG1  VAL  99          2HG1      VAL  99  -0.362  -5.532 -10.514
  823   2HG1  VAL  99          1HG1      VAL  99  -0.989  -6.385  -9.107
  824   3HG1  VAL  99          3HG1      VAL  99  -0.635  -4.661  -9.007
  825   1HG2  VAL  99          2HG2      VAL  99   0.540  -7.429  -7.571
  826   2HG2  VAL  99          1HG2      VAL  99   2.089  -6.660  -7.229
  827   3HG2  VAL  99          3HG2      VAL  99   0.586  -5.795  -6.911
  828    H    ASN 100           H        ASN 100   1.632  -7.201 -12.530
  829    HA   ASN 100           HA       ASN 100  -1.083  -8.314 -12.566
  830   1HB   ASN 100          2HB       ASN 100  -0.921  -8.169 -14.979
  831   2HB   ASN 100          1HB       ASN 100  -0.267  -6.684 -14.294
  832   1HD2  ASN 100          2HD2      ASN 100   2.047  -8.691 -16.792
  833   2HD2  ASN 100          1HD2      ASN 100   0.352  -8.764 -16.743
  834    H    GLU 101           H        GLU 101   0.276 -10.114 -11.119
  835    HA   GLU 101           HA       GLU 101   1.597 -12.167 -12.681
  836   1HB   GLU 101          2HB       GLU 101   1.647 -11.664 -10.082
  837   2HB   GLU 101          1HB       GLU 101   0.283 -12.782 -10.057
  838   1HG   GLU 101          2HG       GLU 101   2.096 -14.236  -9.789
  839   2HG   GLU 101          1HG       GLU 101   1.844 -14.292 -11.534
  840    H    ALA 102           H        ALA 102  -1.743 -11.627 -11.611
  841    HA   ALA 102           HA       ALA 102  -2.768 -14.218 -12.284
  842   1HB   ALA 102          2HB       ALA 102  -3.943 -12.413 -10.923
  843   2HB   ALA 102          1HB       ALA 102  -4.302 -11.610 -12.453
  844   3HB   ALA 102          3HB       ALA 102  -4.947 -13.221 -12.128
  845    H    LEU 103           HN       LEU 103  -2.635 -15.097 -14.285
  846    HA   LEU 103           HA       LEU 103  -3.082 -13.312 -16.649
  847   1HB   LEU 103          2HB       LEU 103  -0.774 -14.691 -16.096
  848   2HB   LEU 103          1HB       LEU 103  -1.635 -15.846 -17.113
  849    HG   LEU 103           HG       LEU 103  -2.082 -13.668 -18.586
  850   1HD1  LEU 103          2HD1      LEU 103  -0.887 -12.231 -16.884
  851   2HD1  LEU 103          1HD1      LEU 103   0.603 -13.072 -17.312
  852   3HD1  LEU 103          3HD1      LEU 103  -0.243 -12.105 -18.521
  853   1HD2  LEU 103          2HD2      LEU 103  -0.854 -15.787 -19.213
  854   2HD2  LEU 103          1HD2      LEU 103  -0.212 -14.331 -19.972
  855   3HD2  LEU 103          3HD2      LEU 103   0.620 -15.046 -18.591
   
  No H/Q in entry =         855
  Start of MODEL           2
 Raw file had  866 H/Q atoms
  Start of MODEL    2
    1   1H    ALA   1          2H        ALA   1  16.886  11.150 -18.265
    2   2H    ALA   1          1H        ALA   1  18.123   9.985 -18.191
    3   3H    ALA   1          3H        ALA   1  18.513  11.626 -18.381
    4    HA   ALA   1           HA       ALA   1  17.499  11.672 -20.556
    5   1HB   ALA   1          1HB       ALA   1  19.467   9.410 -20.102
    6   2HB   ALA   1          3HB       ALA   1  19.072  10.071 -21.688
    7   3HB   ALA   1          2HB       ALA   1  19.856  11.088 -20.478
    8    H    THR   2           H        THR   2  15.386  11.073 -20.943
    9    HA   THR   2           HA       THR   2  13.567   9.720 -21.518
   10    HB   THR   2           HB       THR   2  15.582   7.558 -22.173
   11    HG1  THR   2           HG1      THR   2  16.461   8.954 -23.456
   12   1HG2  THR   2          2HG2      THR   2  12.820   8.329 -23.051
   13   2HG2  THR   2          1HG2      THR   2  13.874   7.473 -24.176
   14   3HG2  THR   2          3HG2      THR   2  13.452   6.738 -22.629
   15    H    SER   3           H        SER   3  14.478   9.665 -18.745
   16    HA   SER   3           HA       SER   3  13.056   7.267 -17.875
   17   1HB   SER   3          2HB       SER   3  15.679   6.807 -18.269
   18   2HB   SER   3          1HB       SER   3  15.766   7.480 -16.645
   19    HG   SER   3           HG       SER   3  15.004   5.045 -17.405
   20    H    THR   4           H        THR   4  12.698  10.140 -17.600
   21    HA   THR   4           HA       THR   4  12.553  10.275 -14.642
   22    HB   THR   4           HB       THR   4  13.813  12.469 -16.324
   23    HG1  THR   4           HG1      THR   4  15.470  11.202 -16.011
   24   1HG2  THR   4          2HG2      THR   4  13.072  12.241 -13.408
   25   2HG2  THR   4          1HG2      THR   4  14.336  13.345 -13.951
   26   3HG2  THR   4          3HG2      THR   4  12.686  13.537 -14.540
   27    H    LYS   5           H        LYS   5  10.853  11.589 -13.902
   28    HA   LYS   5           HA       LYS   5   8.906  12.885 -13.983
   29   1HB   LYS   5          2HB       LYS   5  10.434  13.940 -16.040
   30   2HB   LYS   5          1HB       LYS   5   8.923  13.516 -16.844
   31   1HG   LYS   5          2HG       LYS   5   7.703  15.052 -15.660
   32   2HG   LYS   5          1HG       LYS   5   8.671  14.849 -14.199
   33   1HD   LYS   5          2HD       LYS   5  10.542  16.076 -15.348
   34   2HD   LYS   5          1HD       LYS   5   9.440  16.402 -16.686
   35   1HE   LYS   5          2HE       LYS   5   7.929  17.612 -15.202
   36   2HE   LYS   5          1HE       LYS   5   8.925  17.201 -13.806
   37   1HZ   LYS   5          2HZ       LYS   5  10.764  18.418 -14.820
   38   2HZ   LYS   5          1HZ       LYS   5   9.770  18.845 -16.131
   39   3HZ   LYS   5          3HZ       LYS   5   9.415  19.424 -14.577
   40    H    LYS   6           H        LYS   6   8.983   9.982 -14.623
   41    HA   LYS   6           HA       LYS   6   6.253   9.798 -15.667
   42   1HB   LYS   6          2HB       LYS   6   7.653   7.744 -17.089
   43   2HB   LYS   6          1HB       LYS   6   6.689   9.060 -17.744
   44   1HG   LYS   6          2HG       LYS   6   8.814   9.344 -18.736
   45   2HG   LYS   6          1HG       LYS   6   8.795  10.520 -17.426
   46   1HD   LYS   6          2HD       LYS   6  10.876   9.469 -17.161
   47   2HD   LYS   6          1HD       LYS   6   9.860   8.615 -16.005
   48   1HE   LYS   6          2HE       LYS   6  11.040   6.916 -17.197
   49   2HE   LYS   6          1HE       LYS   6   9.410   6.920 -17.869
   50   1HZ   LYS   6          3HZ       LYS   6  11.493   8.606 -19.087
   51   2HZ   LYS   6          2HZ       LYS   6  11.446   6.945 -19.442
   52   3HZ   LYS   6          1HZ       LYS   6  10.108   7.930 -19.796
   53    H    LEU   7           H        LEU   7   8.723   7.234 -15.569
   54    HA   LEU   7           HA       LEU   7   7.691   6.248 -12.983
   55   1HB   LEU   7          2HB       LEU   7   7.214   4.934 -15.632
   56   2HB   LEU   7          1HB       LEU   7   7.562   3.902 -14.246
   57    HG   LEU   7           HG       LEU   7   5.728   5.720 -13.229
   58   1HD1  LEU   7          1HD1      LEU   7   4.914   4.913 -16.039
   59   2HD1  LEU   7          3HD1      LEU   7   3.863   5.692 -14.857
   60   3HD1  LEU   7          2HD1      LEU   7   5.260   6.556 -15.499
   61   1HD2  LEU   7          2HD2      LEU   7   5.875   3.223 -12.918
   62   2HD2  LEU   7          1HD2      LEU   7   4.231   3.815 -13.155
   63   3HD2  LEU   7          3HD2      LEU   7   5.088   3.034 -14.484
   64    H    HIS   8           H        HIS   8   9.115   4.612 -12.056
   65    HA   HIS   8           HA       HIS   8  11.559   3.852 -13.460
   66   1HB   HIS   8          2HB       HIS   8  11.712   6.295 -12.294
   67   2HB   HIS   8          1HB       HIS   8  12.170   5.273 -10.933
   68    HD1  HIS   8           HD1      HIS   8  13.651   6.956 -13.705
   69    HD2  HIS   8           HD2      HIS   8  14.263   3.242 -11.913
   70    HE1  HIS   8           HE1      HIS   8  15.951   6.183 -14.426
   71    H    LYS   9           H        LYS   9  12.165   1.926 -12.703
   72    HA   LYS   9           HA       LYS   9  10.741   0.654 -10.516
   73   1HB   LYS   9          2HB       LYS   9  12.487  -1.204 -10.948
   74   2HB   LYS   9          1HB       LYS   9  11.368  -0.823 -12.255
   75   1HG   LYS   9          2HG       LYS   9  12.993   0.203 -13.541
   76   2HG   LYS   9          1HG       LYS   9  13.953   0.677 -12.139
   77   1HD   LYS   9          2HD       LYS   9  15.278  -1.059 -12.862
   78   2HD   LYS   9          1HD       LYS   9  14.146  -1.998 -11.889
   79   1HE   LYS   9          2HE       LYS   9  13.413  -1.436 -14.735
   80   2HE   LYS   9          1HE       LYS   9  14.650  -2.652 -14.422
   81   1HZ   LYS   9          2HZ       LYS   9  13.085  -3.720 -12.863
   82   2HZ   LYS   9          1HZ       LYS   9  11.887  -2.608 -13.332
   83   3HZ   LYS   9          3HZ       LYS   9  12.516  -3.703 -14.465
   84    H    GLU  10           H        GLU  10  11.568   0.021  -8.485
   85    HA   GLU  10           HA       GLU  10  14.294   0.686  -7.677
   86   1HB   GLU  10          2HB       GLU  10  12.673   2.832  -7.569
   87   2HB   GLU  10          1HB       GLU  10  12.219   2.084  -6.037
   88   1HG   GLU  10          2HG       GLU  10  15.134   2.324  -6.684
   89   2HG   GLU  10          1HG       GLU  10  14.269   3.774  -6.174
   90    HA   PRO  11           HA       PRO  11  12.979  -3.044  -5.625
   91   1HB   PRO  11          2HB       PRO  11  15.396  -2.728  -4.003
   92   2HB   PRO  11          1HB       PRO  11  14.957  -4.017  -5.133
   93   1HG   PRO  11          2HG       PRO  11  16.843  -1.976  -5.598
   94   2HG   PRO  11          1HG       PRO  11  16.177  -3.084  -6.803
   95   1HD   PRO  11          2HD       PRO  11  15.682  -0.235  -6.517
   96   2HD   PRO  11          1HD       PRO  11  15.111  -1.331  -7.793
   97    H    ALA  12           H        ALA  12  11.615  -3.161  -4.028
   98    HA   ALA  12           HA       ALA  12  11.708  -1.218  -1.764
   99   1HB   ALA  12          1HB       ALA  12   9.649  -1.818  -3.544
  100   2HB   ALA  12          3HB       ALA  12   9.222  -2.708  -2.085
  101   3HB   ALA  12          2HB       ALA  12   9.478  -0.964  -2.011
  102    H    THR  13           H        THR  13   9.764  -2.858  -0.239
  103    HA   THR  13           HA       THR  13  11.030  -5.461   0.181
  104    HB   THR  13           HB       THR  13  12.672  -4.288   1.407
  105    HG1  THR  13           HG1      THR  13  12.088  -5.773   2.829
  106   1HG2  THR  13          3HG2      THR  13  11.537  -2.093   1.308
  107   2HG2  THR  13          2HG2      THR  13  10.443  -2.612   2.589
  108   3HG2  THR  13          1HG2      THR  13  12.164  -2.426   2.922
  109    H    LEU  14           H        LEU  14   9.558  -6.848   1.044
  110    HA   LEU  14           HA       LEU  14   6.837  -6.147   1.409
  111   1HB   LEU  14          2HB       LEU  14   7.799  -8.454   0.937
  112   2HB   LEU  14          1HB       LEU  14   8.264  -8.532   2.634
  113    HG   LEU  14           HG       LEU  14   5.440  -8.071   1.658
  114   1HD1  LEU  14          2HD1      LEU  14   6.322 -10.325   1.068
  115   2HD1  LEU  14          1HD1      LEU  14   6.714 -10.591   2.767
  116   3HD1  LEU  14          3HD1      LEU  14   5.032 -10.409   2.268
  117   1HD2  LEU  14          3HD2      LEU  14   6.733  -8.346   4.352
  118   2HD2  LEU  14          2HD2      LEU  14   5.449  -7.252   3.840
  119   3HD2  LEU  14          1HD2      LEU  14   5.093  -8.953   4.131
  120    H    ILE  15           H        ILE  15   6.130  -4.780   3.014
  121    HA   ILE  15           HA       ILE  15   7.326  -5.172   5.735
  122    HB   ILE  15           HB       ILE  15   6.244  -2.767   6.070
  123   1HG1  ILE  15          2HG1      ILE  15   6.889  -2.815   3.102
  124   2HG1  ILE  15          1HG1      ILE  15   5.270  -2.674   3.787
  125   1HG2  ILE  15          3HG2      ILE  15   8.669  -3.491   6.214
  126   2HG2  ILE  15          2HG2      ILE  15   8.818  -3.081   4.505
  127   3HG2  ILE  15          1HG2      ILE  15   8.422  -1.828   5.682
  128   1HD1  ILE  15          3HD1      ILE  15   6.371  -0.657   5.115
  129   2HD1  ILE  15          2HD1      ILE  15   7.498  -0.674   3.761
  130   3HD1  ILE  15          1HD1      ILE  15   5.778  -0.431   3.472
  131    H    LYS  16           H        LYS  16   4.314  -4.576   3.930
  132    HA   LYS  16           HA       LYS  16   2.749  -6.343   5.491
  133   1HB   LYS  16          2HB       LYS  16   3.282  -4.114   7.000
  134   2HB   LYS  16          1HB       LYS  16   1.755  -3.669   6.239
  135   1HG   LYS  16          2HG       LYS  16   1.703  -6.429   7.150
  136   2HG   LYS  16          1HG       LYS  16   2.076  -5.327   8.475
  137   1HD   LYS  16          2HD       LYS  16   0.035  -4.267   8.358
  138   2HD   LYS  16          1HD       LYS  16  -0.120  -4.530   6.620
  139   1HE   LYS  16          2HE       LYS  16  -0.413  -7.011   7.157
  140   2HE   LYS  16          1HE       LYS  16  -0.588  -6.527   8.843
  141   1HZ   LYS  16          1HZ       LYS  16  -2.253  -5.544   6.587
  142   2HZ   LYS  16          3HZ       LYS  16  -2.730  -6.703   7.729
  143   3HZ   LYS  16          2HZ       LYS  16  -2.429  -5.104   8.219
  144    H    ALA  17           H        ALA  17   0.416  -6.174   4.957
  145    HA   ALA  17           HA       ALA  17  -0.079  -4.575   2.466
  146   1HB   ALA  17          1HB       ALA  17  -0.660  -7.443   3.133
  147   2HB   ALA  17          3HB       ALA  17  -1.828  -6.573   2.138
  148   3HB   ALA  17          2HB       ALA  17  -0.156  -6.732   1.600
  149    H    ILE  18           H        ILE  18  -1.206  -2.909   3.276
  150    HA   ILE  18           HA       ILE  18  -2.913  -2.838   5.508
  151    HB   ILE  18           HB       ILE  18  -2.861  -1.244   2.945
  152   1HG1  ILE  18          2HG1      ILE  18  -2.290   0.206   5.369
  153   2HG1  ILE  18          1HG1      ILE  18  -1.312  -1.261   5.330
  154   1HG2  ILE  18          3HG2      ILE  18  -4.647  -0.968   5.372
  155   2HG2  ILE  18          2HG2      ILE  18  -4.241   0.427   4.373
  156   3HG2  ILE  18          1HG2      ILE  18  -5.104  -0.939   3.669
  157   1HD1  ILE  18          2HD1      ILE  18  -0.646  -0.656   2.970
  158   2HD1  ILE  18          1HD1      ILE  18  -1.466   0.888   3.199
  159   3HD1  ILE  18          3HD1      ILE  18  -0.071   0.475   4.195
  160    H    ASP  19           H        ASP  19  -3.580  -3.936   2.217
  161    HA   ASP  19           HA       ASP  19  -5.346  -5.253   1.416
  162   1HB   ASP  19          2HB       ASP  19  -5.412  -5.935   4.007
  163   2HB   ASP  19          1HB       ASP  19  -6.929  -5.039   3.937
  164    H    GLY  20           H        GLY  20  -7.270  -4.747   0.359
  165   1HA   GLY  20          2HA       GLY  20  -9.313  -3.483   0.039
  166   2HA   GLY  20          1HA       GLY  20  -8.698  -2.261   1.154
  167    H    ASP  21           H        ASP  21  -7.403  -0.597   0.350
  168    HA   ASP  21           HA       ASP  21  -6.657  -0.715  -2.536
  169   1HB   ASP  21          2HB       ASP  21  -7.764   1.791  -1.254
  170   2HB   ASP  21          1HB       ASP  21  -7.554   1.443  -2.970
  171    H    THR  22           H        THR  22  -4.828  -1.212  -0.469
  172    HA   THR  22           HA       THR  22  -2.953   0.971  -0.919
  173    HB   THR  22           HB       THR  22  -2.665   1.011   1.779
  174    HG1  THR  22           HG1      THR  22  -4.861   1.248   2.567
  175   1HG2  THR  22          3HG2      THR  22  -3.185   2.832  -0.107
  176   2HG2  THR  22          2HG2      THR  22  -4.767   2.813   0.671
  177   3HG2  THR  22          1HG2      THR  22  -3.329   3.209   1.611
  178    H    VAL  23           H        VAL  23  -0.840   0.344  -0.649
  179    HA   VAL  23           HA       VAL  23  -0.219  -2.212   0.740
  180    HB   VAL  23           HB       VAL  23   1.263  -2.888  -1.155
  181   1HG1  VAL  23          3HG1      VAL  23  -1.121  -3.711  -0.888
  182   2HG1  VAL  23          2HG1      VAL  23  -1.594  -2.499  -2.080
  183   3HG1  VAL  23          1HG1      VAL  23  -0.485  -3.794  -2.532
  184   1HG2  VAL  23          2HG2      VAL  23   1.503  -0.594  -2.121
  185   2HG2  VAL  23          1HG2      VAL  23   1.023  -1.790  -3.324
  186   3HG2  VAL  23          3HG2      VAL  23  -0.173  -0.678  -2.660
  187    H    LYS  24           H        LYS  24   1.876  -2.149   1.744
  188    HA   LYS  24           HA       LYS  24   3.265   0.475   1.382
  189   1HB   LYS  24          2HB       LYS  24   4.078   0.111   3.766
  190   2HB   LYS  24          1HB       LYS  24   2.361   0.458   3.583
  191   1HG   LYS  24          2HG       LYS  24   1.755  -1.813   3.920
  192   2HG   LYS  24          1HG       LYS  24   3.415  -2.366   3.707
  193   1HD   LYS  24          2HD       LYS  24   3.449  -2.344   5.989
  194   2HD   LYS  24          1HD       LYS  24   3.740  -0.619   5.769
  195   1HE   LYS  24          2HE       LYS  24   1.451  -0.076   6.126
  196   2HE   LYS  24          1HE       LYS  24   0.943  -1.754   5.931
  197   1HZ   LYS  24          2HZ       LYS  24   2.310  -2.259   7.943
  198   2HZ   LYS  24          1HZ       LYS  24   2.495  -0.585   8.172
  199   3HZ   LYS  24          3HZ       LYS  24   0.950  -1.282   8.236
  200    H    LEU  25           H        LEU  25   5.447   0.528   1.203
  201    HA   LEU  25           HA       LEU  25   7.059  -1.939   1.434
  202   1HB   LEU  25          2HB       LEU  25   6.768  -0.363  -1.144
  203   2HB   LEU  25          1HB       LEU  25   8.054  -1.526  -0.841
  204    HG   LEU  25           HG       LEU  25   5.845  -2.992  -0.170
  205   1HD1  LEU  25          2HD1      LEU  25   5.118  -1.118  -2.440
  206   2HD1  LEU  25          1HD1      LEU  25   4.270  -2.628  -2.114
  207   3HD1  LEU  25          3HD1      LEU  25   4.251  -1.333  -0.920
  208   1HD2  LEU  25          1HD2      LEU  25   7.439  -2.649  -2.693
  209   2HD2  LEU  25          3HD2      LEU  25   7.482  -3.971  -1.526
  210   3HD2  LEU  25          2HD2      LEU  25   6.121  -3.818  -2.638
  211    H    MET  26           H        MET  26   9.080  -1.396   2.195
  212    HA   MET  26           HA       MET  26   9.649   1.452   2.640
  213   1HB   MET  26          2HB       MET  26  10.703  -1.130   3.656
  214   2HB   MET  26          1HB       MET  26  11.872   0.184   3.554
  215   1HG   MET  26          2HG       MET  26  10.594   1.579   4.989
  216   2HG   MET  26          1HG       MET  26   9.160   0.564   4.826
  217   1HE   MET  26          3HE       MET  26  12.459   1.285   6.361
  218   2HE   MET  26          2HE       MET  26  11.160   1.652   7.493
  219   3HE   MET  26          1HE       MET  26  12.359   0.428   7.905
  220    H    TYR  27           H        TYR  27   9.790   1.893   0.287
  221    HA   TYR  27           HA       TYR  27  12.015   0.771  -1.238
  222   1HB   TYR  27          2HB       TYR  27  11.277   2.161  -3.030
  223   2HB   TYR  27          1HB       TYR  27   9.805   1.666  -2.197
  224    HD1  TYR  27           HD2      TYR  27   8.732   3.246  -0.537
  225    HD2  TYR  27           HD1      TYR  27  11.923   4.444  -3.145
  226    HE1  TYR  27           HE2      TYR  27   8.190   5.624  -0.109
  227    HE2  TYR  27           HE1      TYR  27  11.381   6.823  -2.717
  228    HH   TYR  27           HH       TYR  27  10.244   8.142  -0.846
  229    H    LYS  28           H        LYS  28  11.403   3.778   0.570
  230    HA   LYS  28           HA       LYS  28  14.232   4.574   0.113
  231   1HB   LYS  28          2HB       LYS  28  12.350   6.156  -0.602
  232   2HB   LYS  28          1HB       LYS  28  12.011   6.367   1.113
  233   1HG   LYS  28          2HG       LYS  28  14.835   6.656   0.685
  234   2HG   LYS  28          1HG       LYS  28  13.978   7.695  -0.454
  235   1HD   LYS  28          2HD       LYS  28  13.141   7.628   2.435
  236   2HD   LYS  28          1HD       LYS  28  14.520   8.607   1.942
  237   1HE   LYS  28          2HE       LYS  28  11.867   8.790   0.511
  238   2HE   LYS  28          1HE       LYS  28  12.205   9.753   1.949
  239   1HZ   LYS  28          1HZ       LYS  28  14.201  10.600   0.818
  240   2HZ   LYS  28          3HZ       LYS  28  13.758   9.752  -0.581
  241   3HZ   LYS  28          2HZ       LYS  28  12.769  11.004   0.000
  242    H    GLY  29           H        GLY  29  13.402   2.572   2.041
  243   1HA   GLY  29          2HA       GLY  29  13.981   2.014   4.244
  244   2HA   GLY  29          1HA       GLY  29  14.738   3.600   4.388
  245    H    GLN  30           H        GLN  30  11.472   3.693   3.318
  246    HA   GLN  30           HA       GLN  30  10.441   4.050   6.075
  247   1HB   GLN  30          2HB       GLN  30   9.180   6.130   5.068
  248   2HB   GLN  30          1HB       GLN  30  10.834   6.312   5.645
  249   1HG   GLN  30          2HG       GLN  30  11.720   6.173   3.415
  250   2HG   GLN  30          1HG       GLN  30  10.161   5.675   2.761
  251   1HE2  GLN  30          2HE2      GLN  30   9.420   9.037   2.024
  252   2HE2  GLN  30          1HE2      GLN  30   9.448   7.422   1.503
  253    HA   PRO  31           HA       PRO  31   7.205   1.581   4.345
  254   1HB   PRO  31          2HB       PRO  31   5.424   2.335   6.469
  255   2HB   PRO  31          1HB       PRO  31   6.350   0.837   6.312
  256   1HG   PRO  31          2HG       PRO  31   6.822   3.016   8.143
  257   2HG   PRO  31          1HG       PRO  31   7.734   1.509   7.989
  258   1HD   PRO  31          2HD       PRO  31   8.545   4.157   7.178
  259   2HD   PRO  31          1HD       PRO  31   9.460   2.643   7.035
  260    H    MET  32           H        MET  32   6.181   2.438   2.581
  261    HA   MET  32           HA       MET  32   4.647   4.985   2.916
  262   1HB   MET  32          2HB       MET  32   6.394   3.916   0.812
  263   2HB   MET  32          1HB       MET  32   4.856   4.514   0.190
  264   1HG   MET  32          2HG       MET  32   6.525   6.319   0.242
  265   2HG   MET  32          1HG       MET  32   5.218   6.655   1.378
  266   1HE   MET  32          3HE       MET  32   5.325   6.726   3.792
  267   2HE   MET  32          2HE       MET  32   6.816   7.277   4.552
  268   3HE   MET  32          1HE       MET  32   6.179   8.139   3.155
  269    H    THR  33           H        THR  33   3.001   4.832   0.715
  270    HA   THR  33           HA       THR  33   1.526   2.272   0.841
  271    HB   THR  33           HB       THR  33   0.319   3.361   2.541
  272    HG1  THR  33           HG1      THR  33  -1.083   2.723   0.888
  273   1HG2  THR  33          1HG2      THR  33   1.514   5.558   2.203
  274   2HG2  THR  33          3HG2      THR  33   0.348   5.929   0.934
  275   3HG2  THR  33          2HG2      THR  33  -0.196   5.714   2.598
  276    H    PHE  34           H        PHE  34   1.749   1.820  -1.321
  277    HA   PHE  34           HA       PHE  34   1.297   4.002  -3.287
  278   1HB   PHE  34          2HB       PHE  34   2.189   1.247  -4.072
  279   2HB   PHE  34          1HB       PHE  34   2.585   2.798  -4.808
  280    HD1  PHE  34           HD2      PHE  34   3.325   0.493  -2.017
  281    HD2  PHE  34           HD1      PHE  34   4.351   4.198  -3.919
  282    HE1  PHE  34           HE2      PHE  34   5.411   0.604  -0.692
  283    HE2  PHE  34           HE1      PHE  34   6.443   4.306  -2.594
  284    HZ   PHE  34           HZ       PHE  34   6.973   2.505  -0.976
  285    H    ARG  35           H        ARG  35  -0.980   4.125  -3.394
  286    HA   ARG  35           HA       ARG  35  -2.202   2.119  -5.082
  287   1HB   ARG  35          2HB       ARG  35  -2.303   1.391  -2.509
  288   2HB   ARG  35          1HB       ARG  35  -3.734   2.421  -2.565
  289   1HG   ARG  35          2HG       ARG  35  -4.786   0.578  -3.370
  290   2HG   ARG  35          1HG       ARG  35  -3.984   0.983  -4.885
  291   1HD   ARG  35          2HD       ARG  35  -2.338  -0.554  -2.969
  292   2HD   ARG  35          1HD       ARG  35  -3.718  -1.421  -3.636
  293    HE   ARG  35           HE       ARG  35  -2.487  -0.183  -5.826
  294   1HH1  ARG  35          1HH2      ARG  35  -2.643  -3.200  -4.761
  295   2HH1  ARG  35          2HH2      ARG  35  -1.004  -3.664  -5.069
  296   1HH2  ARG  35          2HH1      ARG  35   0.088  -0.408  -5.626
  297   2HH2  ARG  35          1HH1      ARG  35   0.549  -2.076  -5.563
  298    H    LEU  36           H        LEU  36  -3.628   3.049  -6.326
  299    HA   LEU  36           HA       LEU  36  -5.778   4.667  -5.883
  300   1HB   LEU  36          2HB       LEU  36  -3.523   6.221  -5.172
  301   2HB   LEU  36          1HB       LEU  36  -4.026   6.816  -6.750
  302    HG   LEU  36           HG       LEU  36  -5.242   8.064  -5.073
  303   1HD1  LEU  36          2HD1      LEU  36  -6.444   7.085  -7.158
  304   2HD1  LEU  36          1HD1      LEU  36  -7.230   5.999  -6.011
  305   3HD1  LEU  36          3HD1      LEU  36  -7.441   7.744  -5.861
  306   1HD2  LEU  36          3HD2      LEU  36  -5.878   5.321  -3.964
  307   2HD2  LEU  36          2HD2      LEU  36  -5.106   6.675  -3.141
  308   3HD2  LEU  36          1HD2      LEU  36  -6.823   6.746  -3.534
  309    H    LEU  37           H        LEU  37  -2.827   4.952  -7.884
  310    HA   LEU  37           HA       LEU  37  -4.387   5.198 -10.358
  311   1HB   LEU  37          2HB       LEU  37  -1.673   5.659  -9.561
  312   2HB   LEU  37          1HB       LEU  37  -1.656   4.473 -10.866
  313    HG   LEU  37           HG       LEU  37  -3.405   6.894 -11.140
  314   1HD1  LEU  37          3HD1      LEU  37  -0.401   6.804 -11.526
  315   2HD1  LEU  37          2HD1      LEU  37  -1.437   8.036 -12.250
  316   3HD1  LEU  37          1HD1      LEU  37  -1.314   7.905 -10.495
  317   1HD2  LEU  37          2HD2      LEU  37  -3.090   4.769 -12.720
  318   2HD2  LEU  37          1HD2      LEU  37  -3.318   6.381 -13.399
  319   3HD2  LEU  37          3HD2      LEU  37  -1.697   5.692 -13.287
  320    H    LEU  38           H        LEU  38  -2.589   2.733  -8.574
  321    HA   LEU  38           HA       LEU  38  -2.923   0.664 -10.605
  322   1HB   LEU  38          2HB       LEU  38  -1.060   0.744  -8.859
  323   2HB   LEU  38          1HB       LEU  38  -2.270   0.316  -7.656
  324    HG   LEU  38           HG       LEU  38  -0.859  -1.593  -8.722
  325   1HD1  LEU  38          3HD1      LEU  38  -3.145  -1.647  -7.408
  326   2HD1  LEU  38          2HD1      LEU  38  -3.801  -2.106  -8.978
  327   3HD1  LEU  38          1HD1      LEU  38  -2.554  -3.096  -8.221
  328   1HD2  LEU  38          3HD2      LEU  38  -1.263  -0.770 -11.073
  329   2HD2  LEU  38          2HD2      LEU  38  -1.666  -2.467 -10.826
  330   3HD2  LEU  38          1HD2      LEU  38  -2.948  -1.260 -10.896
  331    H    VAL  39           H        VAL  39  -4.101   0.743  -7.213
  332    HA   VAL  39           HA       VAL  39  -6.457  -0.839  -7.968
  333    HB   VAL  39           HB       VAL  39  -5.492   0.303  -5.321
  334   1HG1  VAL  39          1HG1      VAL  39  -8.103  -0.986  -6.078
  335   2HG1  VAL  39          3HG1      VAL  39  -7.421  -1.274  -4.478
  336   3HG1  VAL  39          2HG1      VAL  39  -7.806   0.369  -4.989
  337   1HG2  VAL  39          1HG2      VAL  39  -5.725  -2.475  -6.515
  338   2HG2  VAL  39          3HG2      VAL  39  -4.257  -1.643  -6.006
  339   3HG2  VAL  39          2HG2      VAL  39  -5.420  -2.189  -4.802
  340    H    ASP  40           H        ASP  40  -7.855   0.387  -9.188
  341    HA   ASP  40           HA       ASP  40  -8.552   3.129  -8.266
  342   1HB   ASP  40          2HB       ASP  40  -8.018   2.238 -10.775
  343   2HB   ASP  40          1HB       ASP  40  -9.769   2.034 -10.747
  344    H    THR  41           H        THR  41  -9.469   0.824  -6.771
  345    HA   THR  41           HA       THR  41 -12.253   0.325  -7.439
  346    HB   THR  41           HB       THR  41 -10.482  -0.376  -5.095
  347    HG1  THR  41           HG1      THR  41 -10.079  -1.704  -6.738
  348   1HG2  THR  41          2HG2      THR  41 -13.439  -0.731  -5.463
  349   2HG2  THR  41          1HG2      THR  41 -12.507  -1.922  -4.555
  350   3HG2  THR  41          3HG2      THR  41 -12.550  -0.242  -4.020
  351    HA   PRO  42           HA       PRO  42 -12.868   3.172  -3.541
  352   1HB   PRO  42          2HB       PRO  42 -10.748   5.070  -3.389
  353   2HB   PRO  42          1HB       PRO  42 -11.110   3.773  -2.243
  354   1HG   PRO  42          2HG       PRO  42  -8.908   3.936  -4.122
  355   2HG   PRO  42          1HG       PRO  42  -9.219   2.697  -2.902
  356   1HD   PRO  42          2HD       PRO  42  -9.537   2.482  -5.752
  357   2HD   PRO  42          1HD       PRO  42  -9.862   1.240  -4.529
  358    H    GLU  43           H        GLU  43 -14.473   4.200  -4.730
  359    HA   GLU  43           HA       GLU  43 -13.986   6.884  -5.693
  360   1HB   GLU  43          2HB       GLU  43 -14.726   6.411  -8.076
  361   2HB   GLU  43          1HB       GLU  43 -13.110   5.838  -7.670
  362   1HG   GLU  43          2HG       GLU  43 -13.898   3.576  -7.394
  363   2HG   GLU  43          1HG       GLU  43 -15.582   4.089  -7.526
  364    H    THR  44           H        THR  44 -15.779   5.476  -3.859
  365    HA   THR  44           HA       THR  44 -18.319   6.653  -4.770
  366    HB   THR  44           HB       THR  44 -19.537   4.471  -4.118
  367    HG1  THR  44           HG1      THR  44 -18.145   3.080  -3.364
  368   1HG2  THR  44          1HG2      THR  44 -19.017   5.444  -6.490
  369   2HG2  THR  44          3HG2      THR  44 -17.871   4.107  -6.589
  370   3HG2  THR  44          2HG2      THR  44 -19.587   3.781  -6.348
  371    H    LYS  45           H        LYS  45 -16.953   7.758  -2.832
  372    HA   LYS  45           HA       LYS  45 -17.722   6.582  -0.216
  373   1HB   LYS  45          2HB       LYS  45 -15.791   8.701  -1.109
  374   2HB   LYS  45          1HB       LYS  45 -16.368   8.707   0.558
  375   1HG   LYS  45          2HG       LYS  45 -14.400   7.380   0.610
  376   2HG   LYS  45          1HG       LYS  45 -15.725   6.217   0.616
  377   1HD   LYS  45          2HD       LYS  45 -14.769   5.264  -1.194
  378   2HD   LYS  45          1HD       LYS  45 -15.228   6.704  -2.101
  379   1HE   LYS  45          2HE       LYS  45 -12.739   6.825  -0.449
  380   2HE   LYS  45          1HE       LYS  45 -12.687   5.920  -1.961
  381   1HZ   LYS  45          3HZ       LYS  45 -13.574   7.892  -3.092
  382   2HZ   LYS  45          2HZ       LYS  45 -13.512   8.755  -1.629
  383   3HZ   LYS  45          1HZ       LYS  45 -12.079   8.199  -2.353
  384    H    HIS  46           H        HIS  46 -18.597   9.195  -2.376
  385    HA   HIS  46           HA       HIS  46 -20.033  10.724  -0.345
  386   1HB   HIS  46          2HB       HIS  46 -19.075  11.307  -2.867
  387   2HB   HIS  46          1HB       HIS  46 -20.814  11.184  -3.142
  388    HD1  HIS  46           HD1      HIS  46 -18.278  13.084  -1.082
  389    HD2  HIS  46           HD2      HIS  46 -22.338  13.254  -2.013
  390    HE1  HIS  46           HE1      HIS  46 -19.127  15.295  -0.183
  391    HA   PRO  47           HA       PRO  47 -23.874   8.767  -2.482
  392   1HB   PRO  47          2HB       PRO  47 -23.248   6.611  -4.195
  393   2HB   PRO  47          1HB       PRO  47 -23.726   8.241  -4.690
  394   1HG   PRO  47          2HG       PRO  47 -21.108   6.987  -4.906
  395   2HG   PRO  47          1HG       PRO  47 -21.636   8.551  -5.543
  396   1HD   PRO  47          2HD       PRO  47 -19.959   8.040  -3.246
  397   2HD   PRO  47          1HD       PRO  47 -20.451   9.607  -3.915
  398    H    LYS  48           H        LYS  48 -22.293   7.806  -0.183
  399    HA   LYS  48           HA       LYS  48 -22.279   6.081   1.391
  400   1HB   LYS  48          2HB       LYS  48 -24.733   5.313  -0.217
  401   2HB   LYS  48          1HB       LYS  48 -24.268   4.523   1.288
  402   1HG   LYS  48          2HG       LYS  48 -24.179   7.358   1.700
  403   2HG   LYS  48          1HG       LYS  48 -25.730   6.951   0.962
  404   1HD   LYS  48          2HD       LYS  48 -24.911   5.067   3.065
  405   2HD   LYS  48          1HD       LYS  48 -25.144   6.713   3.651
  406   1HE   LYS  48          2HE       LYS  48 -27.381   6.772   2.606
  407   2HE   LYS  48          1HE       LYS  48 -27.152   5.122   2.026
  408   1HZ   LYS  48          1HZ       LYS  48 -27.137   5.963   4.875
  409   2HZ   LYS  48          3HZ       LYS  48 -28.423   5.188   4.086
  410   3HZ   LYS  48          2HZ       LYS  48 -26.949   4.374   4.304
  411    H    LYS  49           H        LYS  49 -22.698   3.376   1.290
  412    HA   LYS  49           HA       LYS  49 -20.475   2.488  -0.398
  413   1HB   LYS  49          2HB       LYS  49 -20.919   0.251   0.662
  414   2HB   LYS  49          1HB       LYS  49 -20.632   1.540   1.829
  415   1HG   LYS  49          2HG       LYS  49 -22.636   1.157   2.774
  416   2HG   LYS  49          1HG       LYS  49 -23.439   1.468   1.236
  417   1HD   LYS  49          2HD       LYS  49 -22.478  -1.018   0.754
  418   2HD   LYS  49          1HD       LYS  49 -22.712  -1.117   2.500
  419   1HE   LYS  49          2HE       LYS  49 -25.032   0.106   1.750
  420   2HE   LYS  49          1HE       LYS  49 -24.721  -0.904   0.338
  421   1HZ   LYS  49          3HZ       LYS  49 -24.755  -1.864   3.149
  422   2HZ   LYS  49          2HZ       LYS  49 -26.024  -2.055   2.035
  423   3HZ   LYS  49          1HZ       LYS  49 -24.532  -2.821   1.765
  424    H    GLY  50           H        GLY  50 -20.905   2.213  -2.535
  425   1HA   GLY  50          2HA       GLY  50 -23.259   0.533  -3.280
  426   2HA   GLY  50          1HA       GLY  50 -22.960   2.044  -4.138
  427    H    VAL  51           H        VAL  51 -20.776  -0.570  -3.037
  428    HA   VAL  51           HA       VAL  51 -20.095  -1.182  -5.855
  429    HB   VAL  51           HB       VAL  51 -17.593  -1.129  -5.057
  430   1HG1  VAL  51          3HG1      VAL  51 -18.655   0.305  -6.818
  431   2HG1  VAL  51          2HG1      VAL  51 -19.067   1.473  -5.560
  432   3HG1  VAL  51          1HG1      VAL  51 -17.376   1.128  -5.925
  433   1HG2  VAL  51          3HG2      VAL  51 -18.284  -0.581  -2.673
  434   2HG2  VAL  51          2HG2      VAL  51 -17.085   0.511  -3.366
  435   3HG2  VAL  51          1HG2      VAL  51 -18.773   1.010  -3.258
  436    H    GLU  52           H        GLU  52 -19.941  -3.355  -6.079
  437    HA   GLU  52           HA       GLU  52 -19.836  -5.023  -3.634
  438   1HB   GLU  52          2HB       GLU  52 -20.521  -5.587  -6.526
  439   2HB   GLU  52          1HB       GLU  52 -20.320  -6.879  -5.344
  440   1HG   GLU  52          2HG       GLU  52 -22.162  -4.547  -4.812
  441   2HG   GLU  52          1HG       GLU  52 -22.713  -5.958  -5.713
  442    H    LYS  53           H        LYS  53 -17.532  -4.532  -3.258
  443    HA   LYS  53           HA       LYS  53 -15.807  -6.534  -4.506
  444   1HB   LYS  53          2HB       LYS  53 -15.852  -4.307  -5.954
  445   2HB   LYS  53          1HB       LYS  53 -14.736  -3.743  -4.709
  446   1HG   LYS  53          2HG       LYS  53 -13.378  -5.838  -5.101
  447   2HG   LYS  53          1HG       LYS  53 -14.414  -6.176  -6.487
  448   1HD   LYS  53          2HD       LYS  53 -13.494  -4.507  -7.752
  449   2HD   LYS  53          1HD       LYS  53 -13.278  -3.437  -6.368
  450   1HE   LYS  53          2HE       LYS  53 -11.229  -4.360  -5.796
  451   2HE   LYS  53          1HE       LYS  53 -11.613  -5.922  -6.520
  452   1HZ   LYS  53          3HZ       LYS  53 -11.249  -3.467  -8.138
  453   2HZ   LYS  53          2HZ       LYS  53  -9.958  -4.502  -7.747
  454   3HZ   LYS  53          1HZ       LYS  53 -11.264  -5.080  -8.668
  455    H    TYR  54           H        TYR  54 -15.002  -7.373  -2.650
  456    HA   TYR  54           HA       TYR  54 -14.172  -5.518  -0.462
  457   1HB   TYR  54          2HB       TYR  54 -15.789  -7.623  -0.212
  458   2HB   TYR  54          1HB       TYR  54 -14.259  -8.492  -0.110
  459    HD1  TYR  54           HD2      TYR  54 -16.383  -5.913   1.462
  460    HD2  TYR  54           HD1      TYR  54 -12.752  -8.189   1.771
  461    HE1  TYR  54           HE2      TYR  54 -16.135  -5.196   3.822
  462    HE2  TYR  54           HE1      TYR  54 -12.505  -7.472   4.132
  463    HH   TYR  54           HH       TYR  54 -14.653  -6.507   5.994
  464    H    GLY  55           H        GLY  55 -13.076  -8.420  -2.242
  465   1HA   GLY  55          2HA       GLY  55 -10.562  -7.819  -2.990
  466   2HA   GLY  55          1HA       GLY  55 -10.317  -8.044  -1.256
  467    HA   PRO  56           HA       PRO  56 -11.804 -12.279  -3.079
  468   1HB   PRO  56          2HB       PRO  56 -11.437 -12.305  -5.897
  469   2HB   PRO  56          1HB       PRO  56 -12.979 -12.275  -5.031
  470   1HG   PRO  56          2HG       PRO  56 -11.759 -10.147  -6.572
  471   2HG   PRO  56          1HG       PRO  56 -13.336 -10.151  -5.771
  472   1HD   PRO  56          2HD       PRO  56 -10.911  -8.798  -4.944
  473   2HD   PRO  56          1HD       PRO  56 -12.516  -8.735  -4.190
  474    H    GLU  57           H        GLU  57 -10.459 -13.846  -4.958
  475    HA   GLU  57           HA       GLU  57  -7.709 -13.719  -3.952
  476   1HB   GLU  57          2HB       GLU  57  -9.397 -15.761  -4.892
  477   2HB   GLU  57          1HB       GLU  57  -8.104 -15.641  -6.087
  478   1HG   GLU  57          2HG       GLU  57  -6.411 -15.886  -4.383
  479   2HG   GLU  57          1HG       GLU  57  -7.620 -15.788  -3.102
  480    H    ALA  58           H        ALA  58  -9.365 -13.315  -7.084
  481    HA   ALA  58           HA       ALA  58  -7.095 -12.957  -8.744
  482   1HB   ALA  58          1HB       ALA  58  -9.490 -13.117  -9.520
  483   2HB   ALA  58          3HB       ALA  58  -9.719 -11.455  -8.980
  484   3HB   ALA  58          2HB       ALA  58  -8.579 -11.811 -10.279
  485    H    SER  59           H        SER  59  -8.935 -10.546  -6.853
  486    HA   SER  59           HA       SER  59  -7.179  -8.344  -7.573
  487   1HB   SER  59          2HB       SER  59  -9.654  -8.319  -6.660
  488   2HB   SER  59          1HB       SER  59  -8.866  -8.342  -5.086
  489    HG   SER  59           HG       SER  59  -9.224  -6.286  -6.711
  490    H    ALA  60           H        ALA  60  -7.296 -10.724  -4.954
  491    HA   ALA  60           HA       ALA  60  -5.441  -9.432  -3.185
  492   1HB   ALA  60          3HB       ALA  60  -6.105 -12.362  -3.593
  493   2HB   ALA  60          2HB       ALA  60  -5.083 -11.760  -2.289
  494   3HB   ALA  60          1HB       ALA  60  -6.779 -11.281  -2.372
  495    H    PHE  61           H        PHE  61  -5.013 -11.553  -5.994
  496    HA   PHE  61           HA       PHE  61  -2.250 -12.140  -5.701
  497   1HB   PHE  61          2HB       PHE  61  -3.761 -11.648  -8.289
  498   2HB   PHE  61          1HB       PHE  61  -2.236 -12.514  -8.130
  499    HD1  PHE  61           HD2      PHE  61  -2.915 -13.976  -5.509
  500    HD2  PHE  61           HD1      PHE  61  -5.108 -13.420  -9.164
  501    HE1  PHE  61           HE2      PHE  61  -4.159 -16.078  -5.083
  502    HE2  PHE  61           HE1      PHE  61  -6.349 -15.523  -8.737
  503    HZ   PHE  61           HZ       PHE  61  -5.876 -16.850  -6.698
  504    H    THR  62           H        THR  62  -3.832  -9.388  -7.354
  505    HA   THR  62           HA       THR  62  -1.412  -8.105  -8.198
  506    HB   THR  62           HB       THR  62  -3.526  -6.196  -7.609
  507    HG1  THR  62           HG1      THR  62  -4.236  -8.375  -9.275
  508   1HG2  THR  62          1HG2      THR  62  -2.348  -7.283 -10.175
  509   2HG2  THR  62          3HG2      THR  62  -3.367  -5.849 -10.051
  510   3HG2  THR  62          2HG2      THR  62  -1.778  -5.870  -9.286
  511    H    LYS  63           H        LYS  63  -3.301  -7.836  -5.183
  512    HA   LYS  63           HA       LYS  63  -1.676  -5.650  -4.152
  513   1HB   LYS  63          2HB       LYS  63  -3.130  -5.617  -2.377
  514   2HB   LYS  63          1HB       LYS  63  -4.136  -6.520  -3.506
  515   1HG   LYS  63          2HG       LYS  63  -3.169  -8.642  -2.528
  516   2HG   LYS  63          1HG       LYS  63  -2.403  -7.649  -1.292
  517   1HD   LYS  63          2HD       LYS  63  -4.584  -6.818  -0.562
  518   2HD   LYS  63          1HD       LYS  63  -5.384  -7.721  -1.848
  519   1HE   LYS  63          2HE       LYS  63  -5.622  -9.105   0.057
  520   2HE   LYS  63          1HE       LYS  63  -4.265  -9.810  -0.819
  521   1HZ   LYS  63          3HZ       LYS  63  -4.053  -7.908   1.454
  522   2HZ   LYS  63          2HZ       LYS  63  -3.779  -9.583   1.537
  523   3HZ   LYS  63          1HZ       LYS  63  -2.748  -8.596   0.616
  524    H    LYS  64           H        LYS  64  -1.447  -9.130  -4.118
  525    HA   LYS  64           HA       LYS  64   0.496  -9.237  -1.941
  526   1HB   LYS  64          2HB       LYS  64  -0.840 -11.199  -3.742
  527   2HB   LYS  64          1HB       LYS  64   0.732 -11.658  -3.084
  528   1HG   LYS  64          2HG       LYS  64  -0.189 -12.086  -1.080
  529   2HG   LYS  64          1HG       LYS  64  -0.843 -10.451  -1.002
  530   1HD   LYS  64          2HD       LYS  64  -2.912 -11.257  -1.336
  531   2HD   LYS  64          1HD       LYS  64  -2.402 -11.920  -2.887
  532   1HE   LYS  64          2HE       LYS  64  -1.335 -13.795  -1.307
  533   2HE   LYS  64          1HE       LYS  64  -2.635 -13.270  -0.237
  534   1HZ   LYS  64          1HZ       LYS  64  -2.999 -14.084  -3.070
  535   2HZ   LYS  64          3HZ       LYS  64  -3.300 -15.083  -1.731
  536   3HZ   LYS  64          2HZ       LYS  64  -4.229 -13.680  -1.968
  537    H    MET  65           H        MET  65   0.851  -7.840  -4.784
  538    HA   MET  65           HA       MET  65   2.958  -9.047  -6.190
  539   1HB   MET  65          2HB       MET  65   3.312  -6.911  -7.169
  540   2HB   MET  65          1HB       MET  65   1.600  -6.951  -6.761
  541   1HG   MET  65          2HG       MET  65   2.982  -5.984  -4.468
  542   2HG   MET  65          1HG       MET  65   3.605  -5.100  -5.856
  543   1HE   MET  65          2HE       MET  65   1.762  -5.163  -7.819
  544   2HE   MET  65          1HE       MET  65   0.166  -4.443  -7.634
  545   3HE   MET  65          3HE       MET  65   1.613  -3.431  -7.531
  546    H    LEU  66           H        LEU  66   3.017  -7.459  -3.086
  547    HA   LEU  66           HA       LEU  66   5.992  -7.728  -3.020
  548   1HB   LEU  66          2HB       LEU  66   5.983  -5.855  -1.398
  549   2HB   LEU  66          1HB       LEU  66   5.293  -5.373  -2.947
  550    HG   LEU  66           HG       LEU  66   3.280  -6.478  -1.130
  551   1HD1  LEU  66          3HD1      LEU  66   5.217  -4.933   0.149
  552   2HD1  LEU  66          2HD1      LEU  66   3.927  -3.785  -0.210
  553   3HD1  LEU  66          1HD1      LEU  66   3.580  -5.235   0.730
  554   1HD2  LEU  66          3HD2      LEU  66   3.615  -4.409  -3.151
  555   2HD2  LEU  66          2HD2      LEU  66   2.145  -5.232  -2.633
  556   3HD2  LEU  66          1HD2      LEU  66   2.711  -3.807  -1.762
  557    H    GLU  67           H        GLU  67   3.069  -8.921  -1.747
  558    HA   GLU  67           HA       GLU  67   4.030  -9.388   0.978
  559   1HB   GLU  67          2HB       GLU  67   1.612 -10.426  -0.524
  560   2HB   GLU  67          1HB       GLU  67   1.930 -10.738   1.181
  561   1HG   GLU  67          2HG       GLU  67   1.599  -7.996  -0.082
  562   2HG   GLU  67          1HG       GLU  67   0.399  -8.821   0.914
  563    H    ASN  68           H        ASN  68   5.455 -10.591  -1.508
  564    HA   ASN  68           HA       ASN  68   5.930 -13.217  -0.263
  565   1HB   ASN  68          2HB       ASN  68   5.347 -14.548  -2.165
  566   2HB   ASN  68          1HB       ASN  68   3.971 -13.491  -1.857
  567   1HD2  ASN  68          2HD2      ASN  68   4.653 -11.437  -4.788
  568   2HD2  ASN  68          1HD2      ASN  68   4.109 -11.291  -3.185
  569    H    ALA  69           H        ALA  69   6.768 -10.880  -2.793
  570    HA   ALA  69           HA       ALA  69   9.258 -12.241  -3.512
  571   1HB   ALA  69          2HB       ALA  69   7.925  -9.668  -4.276
  572   2HB   ALA  69          1HB       ALA  69   9.604  -9.968  -4.721
  573   3HB   ALA  69          3HB       ALA  69   8.335 -11.051  -5.290
  574    H    LYS  70           H        LYS  70  11.210 -10.593  -3.662
  575    HA   LYS  70           HA       LYS  70  11.609  -9.389  -0.944
  576   1HB   LYS  70          2HB       LYS  70  12.966 -11.590  -2.018
  577   2HB   LYS  70          1HB       LYS  70  14.067 -10.235  -2.276
  578   1HG   LYS  70          2HG       LYS  70  14.347  -9.850  -0.020
  579   2HG   LYS  70          1HG       LYS  70  12.733 -10.436   0.388
  580   1HD   LYS  70          2HD       LYS  70  13.457 -12.562   0.687
  581   2HD   LYS  70          1HD       LYS  70  14.460 -12.514  -0.762
  582   1HE   LYS  70          2HE       LYS  70  15.973 -10.921   0.688
  583   2HE   LYS  70          1HE       LYS  70  15.149 -11.695   2.042
  584   1HZ   LYS  70          2HZ       LYS  70  15.798 -13.854   1.133
  585   2HZ   LYS  70          1HZ       LYS  70  16.641 -13.078  -0.123
  586   3HZ   LYS  70          3HZ       LYS  70  17.152 -12.889   1.483
  587    H    LYS  71           H        LYS  71  12.451  -9.359  -4.382
  588    HA   LYS  71           HA       LYS  71  13.510  -6.580  -4.124
  589   1HB   LYS  71          2HB       LYS  71  14.263  -8.798  -5.716
  590   2HB   LYS  71          1HB       LYS  71  13.525  -7.640  -6.822
  591   1HG   LYS  71          2HG       LYS  71  14.994  -5.855  -5.859
  592   2HG   LYS  71          1HG       LYS  71  15.792  -7.089  -4.884
  593   1HD   LYS  71          2HD       LYS  71  17.147  -6.796  -6.841
  594   2HD   LYS  71          1HD       LYS  71  16.288  -8.322  -7.052
  595   1HE   LYS  71          2HE       LYS  71  16.161  -7.060  -9.129
  596   2HE   LYS  71          1HE       LYS  71  14.559  -7.111  -8.397
  597   1HZ   LYS  71          3HZ       LYS  71  16.416  -4.869  -7.879
  598   2HZ   LYS  71          2HZ       LYS  71  15.405  -4.878  -9.243
  599   3HZ   LYS  71          1HZ       LYS  71  14.732  -4.916  -7.684
  600    H    ILE  72           H        ILE  72  11.840  -5.114  -4.228
  601    HA   ILE  72           HA       ILE  72   9.627  -5.690  -6.135
  602    HB   ILE  72           HB       ILE  72   9.684  -4.014  -3.635
  603   1HG1  ILE  72          2HG1      ILE  72   7.558  -5.904  -3.713
  604   2HG1  ILE  72          1HG1      ILE  72   9.021  -6.755  -4.206
  605   1HG2  ILE  72          1HG2      ILE  72   7.791  -4.112  -5.928
  606   2HG2  ILE  72          3HG2      ILE  72   7.102  -4.011  -4.309
  607   3HG2  ILE  72          2HG2      ILE  72   8.211  -2.762  -4.873
  608   1HD1  ILE  72          2HD1      ILE  72   9.075  -4.949  -1.806
  609   2HD1  ILE  72          1HD1      ILE  72   8.452  -6.592  -1.664
  610   3HD1  ILE  72          3HD1      ILE  72  10.114  -6.322  -2.186
  611    H    GLU  73           H        GLU  73   9.891  -4.603  -7.959
  612    HA   GLU  73           HA       GLU  73  11.471  -2.147  -8.041
  613   1HB   GLU  73          2HB       GLU  73   9.971  -3.723 -10.156
  614   2HB   GLU  73          1HB       GLU  73  10.831  -2.225 -10.508
  615   1HG   GLU  73          2HG       GLU  73  12.466  -3.840 -10.966
  616   2HG   GLU  73          1HG       GLU  73  12.841  -3.396  -9.301
  617    H    VAL  74           H        VAL  74  10.154  -0.817  -6.666
  618    HA   VAL  74           HA       VAL  74   7.370  -0.264  -7.141
  619    HB   VAL  74           HB       VAL  74   9.146   1.876  -6.049
  620   1HG1  VAL  74          2HG1      VAL  74   6.474   1.606  -6.144
  621   2HG1  VAL  74          1HG1      VAL  74   6.795   0.839  -4.589
  622   3HG1  VAL  74          3HG1      VAL  74   7.302   2.503  -4.871
  623   1HG2  VAL  74          1HG2      VAL  74   9.105  -0.865  -5.037
  624   2HG2  VAL  74          3HG2      VAL  74  10.185   0.465  -4.623
  625   3HG2  VAL  74          2HG2      VAL  74   8.620   0.319  -3.826
  626    H    GLU  75           H        GLU  75   6.908   0.255  -9.262
  627    HA   GLU  75           HA       GLU  75   8.622   2.027 -10.810
  628   1HB   GLU  75          2HB       GLU  75   6.603   0.121 -11.369
  629   2HB   GLU  75          1HB       GLU  75   6.035   1.660 -12.018
  630   1HG   GLU  75          2HG       GLU  75   7.354   1.156 -13.801
  631   2HG   GLU  75          1HG       GLU  75   8.675   1.697 -12.767
  632    H    PHE  76           H        PHE  76   8.643   4.044  -9.856
  633    HA   PHE  76           HA       PHE  76   6.331   5.738 -10.388
  634   1HB   PHE  76          2HB       PHE  76   5.923   6.511  -8.168
  635   2HB   PHE  76          1HB       PHE  76   5.904   4.758  -8.091
  636    HD1  PHE  76           HD2      PHE  76   7.721   3.514  -7.007
  637    HD2  PHE  76           HD1      PHE  76   7.736   7.806  -7.173
  638    HE1  PHE  76           HE2      PHE  76   9.524   3.578  -5.307
  639    HE2  PHE  76           HE1      PHE  76   9.533   7.869  -5.472
  640    HZ   PHE  76           HZ       PHE  76  10.429   5.754  -4.544
  641    H    ASP  77           H        ASP  77   7.061   7.810 -10.914
  642    HA   ASP  77           HA       ASP  77   9.664   8.752  -9.900
  643   1HB   ASP  77          2HB       ASP  77  10.045   7.224 -11.951
  644   2HB   ASP  77          1HB       ASP  77   9.341   8.538 -12.891
  645    H    LYS  78           H        LYS  78   7.186   9.398 -12.429
  646    HA   LYS  78           HA       LYS  78   7.603  12.158 -12.728
  647   1HB   LYS  78          2HB       LYS  78   6.019  10.672 -14.051
  648   2HB   LYS  78          1HB       LYS  78   4.863  10.877 -12.736
  649   1HG   LYS  78          2HG       LYS  78   5.086  13.369 -13.026
  650   2HG   LYS  78          1HG       LYS  78   6.063  13.061 -14.462
  651   1HD   LYS  78          2HD       LYS  78   4.265  12.404 -15.709
  652   2HD   LYS  78          1HD       LYS  78   3.480  11.611 -14.343
  653   1HE   LYS  78          2HE       LYS  78   3.697  14.615 -14.451
  654   2HE   LYS  78          1HE       LYS  78   2.396  13.777 -15.296
  655   1HZ   LYS  78          1HZ       LYS  78   1.796  12.706 -13.197
  656   2HZ   LYS  78          3HZ       LYS  78   3.016  13.571 -12.398
  657   3HZ   LYS  78          2HZ       LYS  78   1.701  14.398 -13.084
  658    H    GLY  79           H        GLY  79   8.026  13.245 -10.798
  659   1HA   GLY  79          2HA       GLY  79   7.627  14.148  -8.645
  660   2HA   GLY  79          1HA       GLY  79   6.165  14.701  -9.455
  661    H    GLN  80           H        GLN  80   7.220  11.473  -8.284
  662    HA   GLN  80           HA       GLN  80   4.535  10.969  -7.261
  663   1HB   GLN  80          2HB       GLN  80   6.567   9.342  -8.210
  664   2HB   GLN  80          1HB       GLN  80   6.606   9.052  -6.473
  665   1HG   GLN  80          2HG       GLN  80   4.411   8.505  -8.437
  666   2HG   GLN  80          1HG       GLN  80   5.006   7.501  -7.120
  667   1HE2  GLN  80          2HE2      GLN  80   3.013   9.220  -4.627
  668   2HE2  GLN  80          1HE2      GLN  80   4.514   8.450  -4.823
  669    H    ARG  81           H        ARG  81   5.491  13.155  -5.917
  670    HA   ARG  81           HA       ARG  81   6.546  12.190  -3.322
  671   1HB   ARG  81          2HB       ARG  81   7.302  14.352  -4.607
  672   2HB   ARG  81          1HB       ARG  81   5.845  15.055  -3.904
  673   1HG   ARG  81          2HG       ARG  81   7.716  15.478  -2.404
  674   2HG   ARG  81          1HG       ARG  81   6.636  14.309  -1.646
  675   1HD   ARG  81          2HD       ARG  81   8.247  12.733  -1.602
  676   2HD   ARG  81          1HD       ARG  81   8.612  12.974  -3.310
  677    HE   ARG  81           HE       ARG  81   9.794  15.154  -2.088
  678   1HH1  ARG  81          1HH2      ARG  81  10.141  13.540   0.363
  679   2HH1  ARG  81          2HH2      ARG  81  11.638  12.719   0.077
  680   1HH2  ARG  81          2HH1      ARG  81  11.622  13.313  -3.345
  681   2HH2  ARG  81          1HH1      ARG  81  12.476  12.587  -2.025
  682    H    THR  82           H        THR  82   3.685  11.879  -4.558
  683    HA   THR  82           HA       THR  82   1.980  13.307  -2.665
  684    HB   THR  82           HB       THR  82   0.527  11.163  -3.731
  685    HG1  THR  82           HG1      THR  82   1.434  10.701  -5.549
  686   1HG2  THR  82          2HG2      THR  82  -0.211  13.512  -3.388
  687   2HG2  THR  82          1HG2      THR  82   0.754  13.997  -4.782
  688   3HG2  THR  82          3HG2      THR  82  -0.619  12.913  -4.995
  689    H    ASP  83           H        ASP  83   1.819  12.646  -0.637
  690    HA   ASP  83           HA       ASP  83   1.336   9.860   0.024
  691   1HB   ASP  83          2HB       ASP  83   3.309   9.431   1.312
  692   2HB   ASP  83          1HB       ASP  83   3.834   9.996  -0.271
  693    H    LYS  84           H        LYS  84  -0.283  11.949   0.355
  694    HA   LYS  84           HA       LYS  84  -0.571  12.102   3.291
  695   1HB   LYS  84          2HB       LYS  84   0.849  14.113   2.510
  696   2HB   LYS  84          1HB       LYS  84  -0.611  14.679   1.699
  697   1HG   LYS  84          2HG       LYS  84  -1.774  14.367   3.985
  698   2HG   LYS  84          1HG       LYS  84  -0.145  14.279   4.655
  699   1HD   LYS  84          2HD       LYS  84  -0.015  16.490   2.987
  700   2HD   LYS  84          1HD       LYS  84  -1.632  16.608   3.681
  701   1HE   LYS  84          2HE       LYS  84  -0.775  16.579   5.917
  702   2HE   LYS  84          1HE       LYS  84   0.833  16.113   5.364
  703   1HZ   LYS  84          1HZ       LYS  84   1.004  18.239   4.212
  704   2HZ   LYS  84          3HZ       LYS  84  -0.529  18.688   4.783
  705   3HZ   LYS  84          2HZ       LYS  84   0.751  18.460   5.877
  706    H    TYR  85           H        TYR  85  -2.129  10.612   2.033
  707    HA   TYR  85           HA       TYR  85  -4.436  10.210   1.785
  708   1HB   TYR  85          2HB       TYR  85  -4.706  12.706   2.749
  709   2HB   TYR  85          1HB       TYR  85  -5.128  13.019   1.060
  710    HD1  TYR  85           HD1      TYR  85  -5.998  11.079   4.085
  711    HD2  TYR  85           HD2      TYR  85  -7.098  12.043   0.046
  712    HE1  TYR  85           HE1      TYR  85  -8.191   9.979   4.421
  713    HE2  TYR  85           HE2      TYR  85  -9.293  10.949   0.383
  714    HH   TYR  85           HH       TYR  85 -10.756  10.470   2.823
  715    H    GLY  86           H        GLY  86  -2.567  12.372  -0.275
  716   1HA   GLY  86          2HA       GLY  86  -3.963  11.853  -2.738
  717   2HA   GLY  86          1HA       GLY  86  -2.291  12.414  -2.599
  718    H    ARG  87           H        ARG  87  -1.871  10.025  -0.686
  719    HA   ARG  87           HA       ARG  87  -1.239   7.790  -0.755
  720   1HB   ARG  87          2HB       ARG  87  -3.252   7.983  -2.843
  721   2HB   ARG  87          1HB       ARG  87  -1.993   6.834  -3.282
  722   1HG   ARG  87          2HG       ARG  87  -4.008   5.952  -1.919
  723   2HG   ARG  87          1HG       ARG  87  -2.394   5.488  -1.389
  724   1HD   ARG  87          2HD       ARG  87  -3.311   8.024  -0.222
  725   2HD   ARG  87          1HD       ARG  87  -4.320   6.642   0.217
  726    HE   ARG  87           HE       ARG  87  -1.776   5.684   0.595
  727   1HH1  ARG  87          1HH2      ARG  87  -0.980   8.543   1.095
  728   2HH1  ARG  87          2HH2      ARG  87  -1.228   8.695   2.803
  729   1HH2  ARG  87          2HH1      ARG  87  -3.189   5.837   3.041
  730   2HH2  ARG  87          1HH1      ARG  87  -2.481   7.159   3.906
  731    H    VAL  88           H        VAL  88   0.574   6.660  -1.485
  732    HA   VAL  88           HA       VAL  88   2.458   8.213  -3.110
  733    HB   VAL  88           HB       VAL  88   2.752   5.407  -1.983
  734   1HG1  VAL  88          1HG1      VAL  88   4.398   6.024  -3.734
  735   2HG1  VAL  88          3HG1      VAL  88   4.812   7.476  -2.824
  736   3HG1  VAL  88          2HG1      VAL  88   5.169   5.885  -2.154
  737   1HG2  VAL  88          2HG2      VAL  88   3.398   8.115  -0.780
  738   2HG2  VAL  88          1HG2      VAL  88   2.268   6.915  -0.151
  739   3HG2  VAL  88          3HG2      VAL  88   4.001   6.587  -0.137
  740    H    LEU  89           H        LEU  89   0.824   8.096  -4.891
  741    HA   LEU  89           HA       LEU  89   0.002   5.840  -6.306
  742   1HB   LEU  89          2HB       LEU  89   0.877   8.302  -7.806
  743   2HB   LEU  89          1HB       LEU  89  -0.527   7.274  -8.087
  744    HG   LEU  89           HG       LEU  89  -0.116   9.279  -5.855
  745   1HD1  LEU  89          3HD1      LEU  89  -0.999  10.144  -7.973
  746   2HD1  LEU  89          2HD1      LEU  89  -2.283   8.934  -7.935
  747   3HD1  LEU  89          1HD1      LEU  89  -2.223  10.198  -6.705
  748   1HD2  LEU  89          2HD2      LEU  89  -1.865   6.866  -5.996
  749   2HD2  LEU  89          1HD2      LEU  89  -1.154   7.657  -4.592
  750   3HD2  LEU  89          3HD2      LEU  89  -2.587   8.342  -5.356
  751    H    ALA  90           H        ALA  90   1.631   4.273  -6.282
  752    HA   ALA  90           HA       ALA  90   3.678   4.588  -8.409
  753   1HB   ALA  90          1HB       ALA  90   4.240   3.674  -5.572
  754   2HB   ALA  90          3HB       ALA  90   5.393   3.591  -6.902
  755   3HB   ALA  90          2HB       ALA  90   4.830   5.157  -6.317
  756    H    TYR  91           H        TYR  91   4.040   2.670  -9.505
  757    HA   TYR  91           HA       TYR  91   2.209   0.452  -8.954
  758   1HB   TYR  91          2HB       TYR  91   4.298   0.968 -11.079
  759   2HB   TYR  91          1HB       TYR  91   3.428  -0.562 -10.960
  760    HD1  TYR  91           HD1      TYR  91   3.062   3.080 -11.522
  761    HD2  TYR  91           HD2      TYR  91   1.089  -0.735 -11.526
  762    HE1  TYR  91           HE1      TYR  91   1.105   4.094 -12.653
  763    HE2  TYR  91           HE2      TYR  91  -0.867   0.277 -12.659
  764    HH   TYR  91           HH       TYR  91  -1.755   3.023 -12.692
  765    H    ILE  92           H        ILE  92   2.978  -1.759  -8.523
  766    HA   ILE  92           HA       ILE  92   5.728  -1.834  -7.322
  767    HB   ILE  92           HB       ILE  92   3.369  -3.195  -6.016
  768   1HG1  ILE  92          2HG1      ILE  92   2.886  -0.717  -6.284
  769   2HG1  ILE  92          1HG1      ILE  92   2.953  -1.283  -4.619
  770   1HG2  ILE  92          1HG2      ILE  92   6.074  -2.223  -5.084
  771   2HG2  ILE  92          3HG2      ILE  92   4.833  -2.851  -4.001
  772   3HG2  ILE  92          2HG2      ILE  92   5.530  -3.893  -5.240
  773   1HD1  ILE  92          1HD1      ILE  92   5.537  -0.375  -5.743
  774   2HD1  ILE  92          3HD1      ILE  92   4.322   0.886  -5.529
  775   3HD1  ILE  92          2HD1      ILE  92   4.836  -0.086  -4.151
  776    H    TYR  93           H        TYR  93   6.670  -3.311  -8.805
  777    HA   TYR  93           HA       TYR  93   5.326  -5.993  -8.941
  778   1HB   TYR  93          2HB       TYR  93   7.210  -5.376 -11.143
  779   2HB   TYR  93          1HB       TYR  93   5.708  -6.285 -11.171
  780    HD1  TYR  93           HD1      TYR  93   3.589  -4.593 -10.445
  781    HD2  TYR  93           HD2      TYR  93   7.208  -3.579 -12.507
  782    HE1  TYR  93           HE1      TYR  93   2.467  -2.635 -11.470
  783    HE2  TYR  93           HE2      TYR  93   6.096  -1.626 -13.529
  784    HH   TYR  93           HH       TYR  93   4.200  -0.190 -13.192
  785    H    ALA  94           H        ALA  94   6.529  -7.340  -7.717
  786    HA   ALA  94           HA       ALA  94   9.389  -6.852  -7.397
  787   1HB   ALA  94          2HB       ALA  94   7.768  -7.368  -5.468
  788   2HB   ALA  94          1HB       ALA  94   7.767  -9.023  -6.074
  789   3HB   ALA  94          3HB       ALA  94   9.269  -8.292  -5.511
  790    H    ASP  95           H        ASP  95  10.909  -8.151  -8.206
  791    HA   ASP  95           HA       ASP  95  11.917  -9.674  -9.681
  792   1HB   ASP  95          2HB       ASP  95   9.711 -11.433  -8.557
  793   2HB   ASP  95          1HB       ASP  95  11.097 -12.023  -9.472
  794    H    GLY  96           H        GLY  96   9.606  -7.980 -10.659
  795   1HA   GLY  96          2HA       GLY  96   9.029  -7.778 -13.028
  796   2HA   GLY  96          1HA       GLY  96   8.984  -9.542 -13.121
  797    H    LYS  97           H        LYS  97   7.528 -10.202 -10.935
  798    HA   LYS  97           HA       LYS  97   5.374 -10.565 -10.220
  799   1HB   LYS  97          2HB       LYS  97   5.867  -7.738 -10.044
  800   2HB   LYS  97          1HB       LYS  97   4.173  -8.013 -10.441
  801   1HG   LYS  97          2HG       LYS  97   5.647  -9.406  -8.188
  802   2HG   LYS  97          1HG       LYS  97   4.607  -7.999  -7.977
  803   1HD   LYS  97          2HD       LYS  97   3.656 -10.572  -9.261
  804   2HD   LYS  97          1HD       LYS  97   3.490 -10.239  -7.538
  805   1HE   LYS  97          2HE       LYS  97   2.461  -7.946  -8.526
  806   2HE   LYS  97          1HE       LYS  97   2.056  -9.034  -9.845
  807   1HZ   LYS  97          3HZ       LYS  97   1.512 -10.045  -7.184
  808   2HZ   LYS  97          2HZ       LYS  97   0.557  -8.731  -7.673
  809   3HZ   LYS  97          1HZ       LYS  97   0.586 -10.153  -8.597
  810    H    MET  98           H        MET  98   4.213  -7.901 -12.248
  811    HA   MET  98           HA       MET  98   3.583  -9.311 -14.618
  812   1HB   MET  98          2HB       MET  98   1.315 -10.095 -14.189
  813   2HB   MET  98          1HB       MET  98   2.395 -10.826 -13.004
  814   1HG   MET  98          2HG       MET  98   1.830  -8.975 -11.415
  815   2HG   MET  98          1HG       MET  98   0.639  -8.389 -12.571
  816   1HE   MET  98          1HE       MET  98  -1.196  -8.378 -11.902
  817   2HE   MET  98          3HE       MET  98  -2.316  -9.743 -11.898
  818   3HE   MET  98          2HE       MET  98  -1.660  -9.135 -10.383
  819    H    VAL  99           H        VAL  99   2.195  -7.130 -12.160
  820    HA   VAL  99           HA       VAL  99   0.394  -5.689 -13.763
  821    HB   VAL  99           HB       VAL  99   2.055  -4.661 -11.445
  822   1HG1  VAL  99          3HG1      VAL  99   0.953  -2.891 -12.787
  823   2HG1  VAL  99          2HG1      VAL  99  -0.591  -3.710 -12.561
  824   3HG1  VAL  99          1HG1      VAL  99   0.260  -3.032 -11.173
  825   1HG2  VAL  99          3HG2      VAL  99  -0.576  -6.142 -11.626
  826   2HG2  VAL  99          2HG2      VAL  99   0.859  -6.593 -10.705
  827   3HG2  VAL  99          1HG2      VAL  99  -0.114  -5.212 -10.200
  828    H    ASN 100           H        ASN 100   3.861  -5.551 -13.736
  829    HA   ASN 100           HA       ASN 100   4.485  -3.021 -14.730
  830   1HB   ASN 100          2HB       ASN 100   6.379  -4.120 -15.927
  831   2HB   ASN 100          1HB       ASN 100   6.213  -4.684 -14.265
  832   1HD2  ASN 100          2HD2      ASN 100   5.714  -7.304 -17.332
  833   2HD2  ASN 100          1HD2      ASN 100   6.057  -5.668 -17.625
  834    H    GLU 101           H        GLU 101   2.987  -5.715 -16.500
  835    HA   GLU 101           HA       GLU 101   3.281  -4.716 -19.142
  836   1HB   GLU 101          2HB       GLU 101   1.307  -6.105 -19.701
  837   2HB   GLU 101          1HB       GLU 101   2.451  -6.983 -18.691
  838   1HG   GLU 101          2HG       GLU 101   0.727  -7.415 -17.301
  839   2HG   GLU 101          1HG       GLU 101   0.765  -5.709 -16.860
  840    H    ALA 102           H        ALA 102   1.057  -3.763 -16.577
  841    HA   ALA 102           HA       ALA 102  -0.790  -2.289 -18.228
  842   1HB   ALA 102          1HB       ALA 102  -0.070  -1.903 -15.303
  843   2HB   ALA 102          3HB       ALA 102  -1.481  -1.219 -16.108
  844   3HB   ALA 102          2HB       ALA 102  -1.337  -2.966 -15.916
  845    H    LEU 103           HN       LEU 103  -0.573  -0.300 -19.124
  846    HA   LEU 103           HA       LEU 103   0.289   1.793 -19.682
  847   1HB   LEU 103          2HB       LEU 103   1.194   1.489 -16.848
  848   2HB   LEU 103          1HB       LEU 103   1.954   2.748 -17.818
  849    HG   LEU 103           HG       LEU 103  -1.041   2.401 -17.502
  850   1HD1  LEU 103          2HD1      LEU 103   0.446   3.149 -15.465
  851   2HD1  LEU 103          1HD1      LEU 103   0.558   4.671 -16.350
  852   3HD1  LEU 103          3HD1      LEU 103  -1.017   4.053 -15.852
  853   1HD2  LEU 103          1HD2      LEU 103   0.734   4.414 -18.895
  854   2HD2  LEU 103          3HD2      LEU 103  -0.628   3.513 -19.559
  855   3HD2  LEU 103          2HD2      LEU 103  -0.912   4.821 -18.411
   
  No H/Q in entry =         855
  Start of MODEL           3
 Raw file had  866 H/Q atoms
  Start of MODEL    3
    1   1H    ALA   1          2H        ALA   1  18.205  22.137 -14.063
    2   2H    ALA   1          1H        ALA   1  19.123  20.787 -14.535
    3   3H    ALA   1          3H        ALA   1  17.967  21.435 -15.593
    4    HA   ALA   1           HA       ALA   1  17.132  19.414 -14.581
    5   1HB   ALA   1          3HB       ALA   1  17.614  20.959 -12.015
    6   2HB   ALA   1          2HB       ALA   1  16.700  19.454 -12.113
    7   3HB   ALA   1          1HB       ALA   1  18.418  19.470 -12.513
    8    H    THR   2           H        THR   2  15.059  19.574 -15.267
    9    HA   THR   2           HA       THR   2  13.361  21.784 -14.188
   10    HB   THR   2           HB       THR   2  12.291  21.920 -16.481
   11    HG1  THR   2           HG1      THR   2  12.891  20.214 -17.604
   12   1HG2  THR   2          3HG2      THR   2  13.995  23.551 -15.659
   13   2HG2  THR   2          2HG2      THR   2  15.250  22.567 -16.410
   14   3HG2  THR   2          1HG2      THR   2  14.026  23.348 -17.410
   15    H    SER   3           H        SER   3  13.196  19.463 -12.929
   16    HA   SER   3           HA       SER   3  11.770  17.716 -12.313
   17   1HB   SER   3          2HB       SER   3  10.123  19.682 -12.655
   18   2HB   SER   3          1HB       SER   3   9.720  18.910 -14.186
   19    HG   SER   3           HG       SER   3   8.353  17.974 -12.798
   20    H    THR   4           H        THR   4  13.324  16.406 -13.661
   21    HA   THR   4           HA       THR   4  11.938  15.229 -16.040
   22    HB   THR   4           HB       THR   4  14.080  16.460 -16.545
   23    HG1  THR   4           HG1      THR   4  13.654  14.952 -18.012
   24   1HG2  THR   4          1HG2      THR   4  15.194  15.800 -14.377
   25   2HG2  THR   4          3HG2      THR   4  15.390  14.179 -15.043
   26   3HG2  THR   4          2HG2      THR   4  16.188  15.552 -15.811
   27    H    LYS   5           H        LYS   5  12.171  12.926 -16.313
   28    HA   LYS   5           HA       LYS   5  12.246  10.703 -15.608
   29   1HB   LYS   5          2HB       LYS   5  14.329  11.969 -13.871
   30   2HB   LYS   5          1HB       LYS   5  13.766  10.352 -13.452
   31   1HG   LYS   5          2HG       LYS   5  14.612  11.048 -16.266
   32   2HG   LYS   5          1HG       LYS   5  15.780  10.516 -15.055
   33   1HD   LYS   5          2HD       LYS   5  14.334   8.484 -14.668
   34   2HD   LYS   5          1HD       LYS   5  13.357   8.988 -16.049
   35   1HE   LYS   5          2HE       LYS   5  16.346   8.688 -16.307
   36   2HE   LYS   5          1HE       LYS   5  15.282   7.290 -16.466
   37   1HZ   LYS   5          3HZ       LYS   5  14.042   8.549 -18.176
   38   2HZ   LYS   5          2HZ       LYS   5  15.210   9.780 -18.084
   39   3HZ   LYS   5          1HZ       LYS   5  15.649   8.228 -18.616
   40    H    LYS   6           H        LYS   6  10.709   9.593 -14.499
   41    HA   LYS   6           HA       LYS   6   9.844  10.497 -11.846
   42   1HB   LYS   6          2HB       LYS   6   7.680   9.787 -13.796
   43   2HB   LYS   6          1HB       LYS   6   7.609  10.841 -12.390
   44   1HG   LYS   6          2HG       LYS   6   9.267  11.646 -14.769
   45   2HG   LYS   6          1HG       LYS   6   7.523  11.890 -14.793
   46   1HD   LYS   6          2HD       LYS   6   7.573  13.388 -12.988
   47   2HD   LYS   6          1HD       LYS   6   9.148  12.821 -12.436
   48   1HE   LYS   6          2HE       LYS   6  10.181  14.390 -13.675
   49   2HE   LYS   6          1HE       LYS   6   9.400  13.781 -15.134
   50   1HZ   LYS   6          3HZ       LYS   6   8.149  15.658 -13.200
   51   2HZ   LYS   6          2HZ       LYS   6   8.864  16.114 -14.672
   52   3HZ   LYS   6          1HZ       LYS   6   7.480  15.129 -14.667
   53    H    LEU   7           H        LEU   7   8.512   8.222 -14.267
   54    HA   LEU   7           HA       LEU   7   8.267   6.072 -12.390
   55   1HB   LEU   7          2HB       LEU   7   8.197   6.249 -15.402
   56   2HB   LEU   7          1HB       LEU   7   8.130   4.683 -14.595
   57    HG   LEU   7           HG       LEU   7   6.272   6.948 -13.846
   58   1HD1  LEU   7          3HD1      LEU   7   5.848   4.755 -15.900
   59   2HD1  LEU   7          2HD1      LEU   7   4.585   5.828 -15.297
   60   3HD1  LEU   7          1HD1      LEU   7   5.932   6.486 -16.226
   61   1HD2  LEU   7          3HD2      LEU   7   6.166   3.932 -13.505
   62   2HD2  LEU   7          2HD2      LEU   7   6.488   5.109 -12.232
   63   3HD2  LEU   7          1HD2      LEU   7   4.901   5.051 -12.999
   64    H    HIS   8           H        HIS   8  10.226   5.657 -11.342
   65    HA   HIS   8           HA       HIS   8  12.400   4.542 -13.065
   66   1HB   HIS   8          2HB       HIS   8  12.905   6.811 -11.993
   67   2HB   HIS   8          1HB       HIS   8  12.893   5.963 -10.449
   68    HD1  HIS   8           HD1      HIS   8  14.775   4.191 -10.037
   69    HD2  HIS   8           HD2      HIS   8  15.155   6.270 -13.630
   70    HE1  HIS   8           HE1      HIS   8  17.104   3.705 -10.903
   71    H    LYS   9           H        LYS   9  13.028   2.556 -12.511
   72    HA   LYS   9           HA       LYS   9  11.632   0.989 -10.563
   73   1HB   LYS   9          2HB       LYS   9  14.161   0.499 -12.151
   74   2HB   LYS   9          1HB       LYS   9  13.467  -0.710 -11.070
   75   1HG   LYS   9          2HG       LYS   9  11.266  -0.348 -12.355
   76   2HG   LYS   9          1HG       LYS   9  12.245   0.487 -13.560
   77   1HD   LYS   9          2HD       LYS   9  13.430  -1.446 -14.135
   78   2HD   LYS   9          1HD       LYS   9  13.063  -2.244 -12.606
   79   1HE   LYS   9          2HE       LYS   9  10.556  -1.953 -13.524
   80   2HE   LYS   9          1HE       LYS   9  11.402  -2.012 -15.070
   81   1HZ   LYS   9          1HZ       LYS   9  12.476  -4.073 -14.323
   82   2HZ   LYS   9          3HZ       LYS   9  11.558  -4.029 -12.897
   83   3HZ   LYS   9          2HZ       LYS   9  10.785  -4.218 -14.398
   84    H    GLU  10           H        GLU  10  12.125   0.487  -8.472
   85    HA   GLU  10           HA       GLU  10  14.792   0.992  -7.339
   86   1HB   GLU  10          2HB       GLU  10  12.449   2.770  -6.863
   87   2HB   GLU  10          1HB       GLU  10  13.361   2.293  -5.432
   88   1HG   GLU  10          2HG       GLU  10  15.154   3.561  -6.005
   89   2HG   GLU  10          1HG       GLU  10  15.054   3.099  -7.704
   90    HA   PRO  11           HA       PRO  11  13.225  -2.853  -5.644
   91   1HB   PRO  11          2HB       PRO  11  15.514  -2.601  -3.815
   92   2HB   PRO  11          1HB       PRO  11  15.135  -3.881  -4.979
   93   1HG   PRO  11          2HG       PRO  11  17.104  -1.917  -5.315
   94   2HG   PRO  11          1HG       PRO  11  16.438  -2.941  -6.593
   95   1HD   PRO  11          2HD       PRO  11  16.047  -0.078  -6.181
   96   2HD   PRO  11          1HD       PRO  11  15.538  -1.079  -7.557
   97    H    ALA  12           H        ALA  12  11.960  -3.296  -3.879
   98    HA   ALA  12           HA       ALA  12  11.802  -1.203  -1.746
   99   1HB   ALA  12          2HB       ALA  12   9.825  -2.032  -3.558
  100   2HB   ALA  12          1HB       ALA  12   9.387  -2.789  -2.028
  101   3HB   ALA  12          3HB       ALA  12   9.587  -1.040  -2.121
  102    H    THR  13           H        THR  13   9.971  -2.625  -0.109
  103    HA   THR  13           HA       THR  13  11.046  -5.257   0.534
  104    HB   THR  13           HB       THR  13  12.806  -4.111   1.643
  105    HG1  THR  13           HG1      THR  13  12.111  -5.378   3.212
  106   1HG2  THR  13          2HG2      THR  13  10.708  -2.036   2.089
  107   2HG2  THR  13          1HG2      THR  13  12.017  -2.142   3.267
  108   3HG2  THR  13          3HG2      THR  13  12.380  -1.848   1.565
  109    H    LEU  14           H        LEU  14   8.966  -6.047   0.552
  110    HA   LEU  14           HA       LEU  14   6.596  -4.822   1.247
  111   1HB   LEU  14          2HB       LEU  14   5.655  -6.995   1.689
  112   2HB   LEU  14          1HB       LEU  14   6.829  -7.170   0.388
  113    HG   LEU  14           HG       LEU  14   8.419  -7.590   2.566
  114   1HD1  LEU  14          2HD1      LEU  14   6.001  -7.532   3.772
  115   2HD1  LEU  14          1HD1      LEU  14   6.050  -9.234   3.313
  116   3HD1  LEU  14          3HD1      LEU  14   7.319  -8.559   4.336
  117   1HD2  LEU  14          3HD2      LEU  14   6.742  -9.592   1.028
  118   2HD2  LEU  14          2HD2      LEU  14   8.357  -9.021   0.608
  119   3HD2  LEU  14          1HD2      LEU  14   8.121 -10.025   2.039
  120    H    ILE  15           H        ILE  15   5.813  -3.892   3.051
  121    HA   ILE  15           HA       ILE  15   7.183  -4.538   5.614
  122    HB   ILE  15           HB       ILE  15   5.239  -2.254   5.198
  123   1HG1  ILE  15          2HG1      ILE  15   8.184  -1.762   5.091
  124   2HG1  ILE  15          1HG1      ILE  15   7.413  -2.392   3.636
  125   1HG2  ILE  15          2HG2      ILE  15   7.524  -2.728   7.136
  126   2HG2  ILE  15          1HG2      ILE  15   6.514  -1.284   7.089
  127   3HG2  ILE  15          3HG2      ILE  15   5.805  -2.841   7.513
  128   1HD1  ILE  15          3HD1      ILE  15   6.328  -0.004   5.141
  129   2HD1  ILE  15          2HD1      ILE  15   7.491   0.151   3.826
  130   3HD1  ILE  15          1HD1      ILE  15   5.901  -0.544   3.520
  131    H    LYS  16           H        LYS  16   3.865  -3.656   4.604
  132    HA   LYS  16           HA       LYS  16   2.756  -6.044   5.884
  133   1HB   LYS  16          2HB       LYS  16   2.854  -3.462   7.273
  134   2HB   LYS  16          1HB       LYS  16   1.214  -4.092   7.119
  135   1HG   LYS  16          2HG       LYS  16   2.444  -6.361   7.861
  136   2HG   LYS  16          1HG       LYS  16   3.539  -5.206   8.620
  137   1HD   LYS  16          2HD       LYS  16   2.055  -4.798  10.261
  138   2HD   LYS  16          1HD       LYS  16   0.802  -4.407   9.082
  139   1HE   LYS  16          2HE       LYS  16   1.519  -7.283   9.577
  140   2HE   LYS  16          1HE       LYS  16   0.458  -6.445  10.708
  141   1HZ   LYS  16          1HZ       LYS  16  -0.992  -5.862   8.863
  142   2HZ   LYS  16          3HZ       LYS  16   0.026  -6.676   7.777
  143   3HZ   LYS  16          2HZ       LYS  16  -0.805  -7.547   8.975
  144    H    ALA  17           H        ALA  17   1.707  -6.505   3.937
  145    HA   ALA  17           HA       ALA  17   0.416  -4.649   2.226
  146   1HB   ALA  17          2HB       ALA  17  -0.304  -7.550   2.766
  147   2HB   ALA  17          1HB       ALA  17  -0.888  -6.600   1.399
  148   3HB   ALA  17          3HB       ALA  17   0.830  -6.972   1.545
  149    H    ILE  18           H        ILE  18  -1.074  -3.241   2.856
  150    HA   ILE  18           HA       ILE  18  -2.724  -3.416   5.159
  151    HB   ILE  18           HB       ILE  18  -2.812  -1.810   2.616
  152   1HG1  ILE  18          2HG1      ILE  18  -2.717  -0.482   5.238
  153   2HG1  ILE  18          1HG1      ILE  18  -1.368  -1.582   4.957
  154   1HG2  ILE  18          2HG2      ILE  18  -4.830  -1.823   4.872
  155   2HG2  ILE  18          1HG2      ILE  18  -4.602  -0.424   3.823
  156   3HG2  ILE  18          3HG2      ILE  18  -5.139  -1.958   3.141
  157   1HD1  ILE  18          3HD1      ILE  18  -0.938  -0.467   2.776
  158   2HD1  ILE  18          2HD1      ILE  18  -2.247   0.664   3.117
  159   3HD1  ILE  18          1HD1      ILE  18  -0.803   0.655   4.129
  160    H    ASP  19           H        ASP  19  -3.185  -4.597   1.874
  161    HA   ASP  19           HA       ASP  19  -4.736  -6.102   0.993
  162   1HB   ASP  19          2HB       ASP  19  -5.978  -6.298   3.748
  163   2HB   ASP  19          1HB       ASP  19  -6.077  -7.467   2.436
  164    H    GLY  20           H        GLY  20  -6.295  -5.323  -0.304
  165   1HA   GLY  20          2HA       GLY  20  -8.750  -4.644  -0.274
  166   2HA   GLY  20          1HA       GLY  20  -8.259  -3.390   0.864
  167    H    ASP  21           H        ASP  21  -7.204  -1.533   0.076
  168    HA   ASP  21           HA       ASP  21  -7.270  -1.242  -2.898
  169   1HB   ASP  21          2HB       ASP  21  -7.738   0.650  -0.614
  170   2HB   ASP  21          1HB       ASP  21  -7.205   1.286  -2.167
  171    H    THR  22           H        THR  22  -5.360  -0.121  -0.072
  172    HA   THR  22           HA       THR  22  -3.077   0.317  -1.938
  173    HB   THR  22           HB       THR  22  -3.717   1.454   0.779
  174    HG1  THR  22           HG1      THR  22  -4.747   2.663  -0.633
  175   1HG2  THR  22          2HG2      THR  22  -1.211   1.617  -0.885
  176   2HG2  THR  22          1HG2      THR  22  -1.640   2.886   0.258
  177   3HG2  THR  22          3HG2      THR  22  -1.363   1.242   0.831
  178    H    VAL  23           H        VAL  23  -0.919  -0.225  -1.182
  179    HA   VAL  23           HA       VAL  23  -0.849  -2.502   0.748
  180    HB   VAL  23           HB       VAL  23   1.145  -3.293  -0.642
  181   1HG1  VAL  23          3HG1      VAL  23  -1.253  -4.193  -0.718
  182   2HG1  VAL  23          2HG1      VAL  23  -1.455  -3.233  -2.184
  183   3HG1  VAL  23          1HG1      VAL  23  -0.251  -4.521  -2.131
  184   1HG2  VAL  23          1HG2      VAL  23   1.334  -1.033  -1.830
  185   2HG2  VAL  23          3HG2      VAL  23   1.404  -2.454  -2.872
  186   3HG2  VAL  23          2HG2      VAL  23  -0.083  -1.513  -2.763
  187    H    LYS  24           H        LYS  24   0.986  -2.543   2.190
  188    HA   LYS  24           HA       LYS  24   2.371   0.091   2.358
  189   1HB   LYS  24          2HB       LYS  24   0.965  -1.031   4.297
  190   2HB   LYS  24          1HB       LYS  24   2.454  -1.935   4.564
  191   1HG   LYS  24          2HG       LYS  24   3.704   0.217   4.682
  192   2HG   LYS  24          1HG       LYS  24   2.176   1.084   4.518
  193   1HD   LYS  24          2HD       LYS  24   1.551   0.652   6.664
  194   2HD   LYS  24          1HD       LYS  24   2.206  -0.985   6.629
  195   1HE   LYS  24          2HE       LYS  24   4.497  -0.062   6.843
  196   2HE   LYS  24          1HE       LYS  24   3.822   1.566   6.923
  197   1HZ   LYS  24          1HZ       LYS  24   3.243  -0.642   8.825
  198   2HZ   LYS  24          3HZ       LYS  24   4.263   0.679   9.127
  199   3HZ   LYS  24          2HZ       LYS  24   2.597   0.929   8.902
  200    H    LEU  25           H        LEU  25   4.184  -0.127   1.098
  201    HA   LEU  25           HA       LEU  25   6.160  -2.163   1.988
  202   1HB   LEU  25          2HB       LEU  25   6.785  -2.752  -0.247
  203   2HB   LEU  25          1HB       LEU  25   5.035  -2.897  -0.168
  204    HG   LEU  25           HG       LEU  25   6.280  -0.310  -1.070
  205   1HD1  LEU  25          3HD1      LEU  25   7.258  -2.263  -2.368
  206   2HD1  LEU  25          2HD1      LEU  25   5.619  -2.613  -2.916
  207   3HD1  LEU  25          1HD1      LEU  25   6.381  -1.079  -3.336
  208   1HD2  LEU  25          2HD2      LEU  25   3.649  -1.741  -1.321
  209   2HD2  LEU  25          1HD2      LEU  25   3.966  -0.082  -0.818
  210   3HD2  LEU  25          3HD2      LEU  25   4.099  -0.528  -2.517
  211    H    MET  26           H        MET  26   8.275  -1.406   2.020
  212    HA   MET  26           HA       MET  26   8.563   1.527   1.689
  213   1HB   MET  26          2HB       MET  26   9.333   0.668   3.816
  214   2HB   MET  26          1HB       MET  26  10.293  -0.578   3.024
  215   1HG   MET  26          2HG       MET  26  11.798   1.069   2.102
  216   2HG   MET  26          1HG       MET  26  10.763   2.389   2.639
  217   1HE   MET  26          3HE       MET  26  13.271  -0.173   3.231
  218   2HE   MET  26          2HE       MET  26  14.123   1.360   3.406
  219   3HE   MET  26          1HE       MET  26  14.042   0.248   4.768
  220    H    TYR  27           H        TYR  27   9.511   2.308  -0.131
  221    HA   TYR  27           HA       TYR  27  10.756   0.463  -2.036
  222   1HB   TYR  27          2HB       TYR  27  11.207   2.741  -3.281
  223   2HB   TYR  27          1HB       TYR  27   9.571   2.097  -3.198
  224    HD1  TYR  27           HD2      TYR  27  11.891   4.270  -1.183
  225    HD2  TYR  27           HD1      TYR  27   7.872   3.510  -2.492
  226    HE1  TYR  27           HE2      TYR  27  11.122   6.317  -0.015
  227    HE2  TYR  27           HE1      TYR  27   7.104   5.553  -1.323
  228    HH   TYR  27           HH       TYR  27   9.200   7.928  -0.199
  229    H    LYS  28           H        LYS  28  12.173   0.439   0.327
  230    HA   LYS  28           HA       LYS  28  14.300   0.620   1.212
  231   1HB   LYS  28          2HB       LYS  28  14.608  -0.280  -1.287
  232   2HB   LYS  28          1HB       LYS  28  15.451   1.258  -1.471
  233   1HG   LYS  28          2HG       LYS  28  17.191   0.603  -0.156
  234   2HG   LYS  28          1HG       LYS  28  16.138  -0.233   0.985
  235   1HD   LYS  28          2HD       LYS  28  17.189  -2.060   0.041
  236   2HD   LYS  28          1HD       LYS  28  15.833  -1.901  -1.076
  237   1HE   LYS  28          2HE       LYS  28  17.584  -1.976  -2.590
  238   2HE   LYS  28          1HE       LYS  28  17.494  -0.237  -2.318
  239   1HZ   LYS  28          3HZ       LYS  28  19.300  -2.113  -0.888
  240   2HZ   LYS  28          2HZ       LYS  28  19.762  -1.059  -2.136
  241   3HZ   LYS  28          1HZ       LYS  28  19.224  -0.435  -0.650
  242    H    GLY  29           H        GLY  29  13.139   2.741   1.878
  243   1HA   GLY  29          2HA       GLY  29  15.060   4.753   2.220
  244   2HA   GLY  29          1HA       GLY  29  14.108   5.239   0.815
  245    H    GLN  30           H        GLN  30  11.609   4.103   1.696
  246    HA   GLN  30           HA       GLN  30  10.972   5.213   4.320
  247   1HB   GLN  30          2HB       GLN  30  11.088   7.304   3.077
  248   2HB   GLN  30          1HB       GLN  30  10.019   6.658   1.833
  249   1HG   GLN  30          2HG       GLN  30   8.202   6.445   3.482
  250   2HG   GLN  30          1HG       GLN  30   9.270   7.060   4.746
  251   1HE2  GLN  30          2HE2      GLN  30   7.767   9.672   1.951
  252   2HE2  GLN  30          1HE2      GLN  30   7.731   8.004   1.631
  253    HA   PRO  31           HA       PRO  31   7.925   2.008   3.534
  254   1HB   PRO  31          2HB       PRO  31   6.847   2.431   6.150
  255   2HB   PRO  31          1HB       PRO  31   7.956   1.147   5.652
  256   1HG   PRO  31          2HG       PRO  31   8.533   3.441   7.318
  257   2HG   PRO  31          1HG       PRO  31   9.618   2.120   6.867
  258   1HD   PRO  31          2HD       PRO  31   9.641   4.838   5.898
  259   2HD   PRO  31          1HD       PRO  31  10.735   3.513   5.455
  260    H    MET  32           H        MET  32   6.281   2.829   2.207
  261    HA   MET  32           HA       MET  32   4.619   5.040   3.364
  262   1HB   MET  32          2HB       MET  32   5.953   4.738   0.778
  263   2HB   MET  32          1HB       MET  32   4.267   5.241   0.651
  264   1HG   MET  32          2HG       MET  32   6.179   6.566   2.577
  265   2HG   MET  32          1HG       MET  32   6.012   7.112   0.909
  266   1HE   MET  32          3HE       MET  32   5.596   8.758   3.519
  267   2HE   MET  32          2HE       MET  32   5.337   9.533   1.959
  268   3HE   MET  32          1HE       MET  32   4.124   9.694   3.227
  269    H    THR  33           H        THR  33   2.579   5.259   1.775
  270    HA   THR  33           HA       THR  33   1.179   2.637   1.656
  271    HB   THR  33           HB       THR  33   0.171   3.811   3.503
  272    HG1  THR  33           HG1      THR  33  -1.633   3.316   2.588
  273   1HG2  THR  33          2HG2      THR  33   0.233   6.256   1.717
  274   2HG2  THR  33          1HG2      THR  33  -0.609   6.183   3.264
  275   3HG2  THR  33          3HG2      THR  33   1.144   6.006   3.205
  276    H    PHE  34           H        PHE  34   1.089   2.246  -0.462
  277    HA   PHE  34           HA       PHE  34   1.355   4.309  -2.452
  278   1HB   PHE  34          2HB       PHE  34   0.915   1.356  -2.451
  279   2HB   PHE  34          1HB       PHE  34   0.879   2.271  -3.961
  280    HD1  PHE  34           HD2      PHE  34   2.950   2.119  -0.818
  281    HD2  PHE  34           HD1      PHE  34   2.866   2.480  -5.093
  282    HE1  PHE  34           HE2      PHE  34   5.430   2.180  -0.862
  283    HE2  PHE  34           HE1      PHE  34   5.342   2.543  -5.142
  284    HZ   PHE  34           HZ       PHE  34   6.626   2.390  -3.024
  285    H    ARG  35           H        ARG  35  -0.192   3.807  -4.527
  286    HA   ARG  35           HA       ARG  35  -2.756   4.980  -3.789
  287   1HB   ARG  35          2HB       ARG  35  -3.164   4.801  -6.320
  288   2HB   ARG  35          1HB       ARG  35  -1.822   5.818  -5.809
  289   1HG   ARG  35          2HG       ARG  35  -0.394   4.568  -7.010
  290   2HG   ARG  35          1HG       ARG  35  -0.866   3.129  -6.110
  291   1HD   ARG  35          2HD       ARG  35  -1.400   2.598  -8.341
  292   2HD   ARG  35          1HD       ARG  35  -2.939   3.077  -7.638
  293    HE   ARG  35           HE       ARG  35  -1.928   4.266  -9.905
  294   1HH1  ARG  35          1HH2      ARG  35  -0.527   6.416  -8.937
  295   2HH1  ARG  35          2HH2      ARG  35  -1.695   7.588  -8.425
  296   1HH2  ARG  35          2HH1      ARG  35  -4.314   5.312  -8.290
  297   2HH2  ARG  35          1HH1      ARG  35  -3.843   6.962  -8.054
  298    H    LEU  36           H        LEU  36  -4.717   4.027  -5.213
  299    HA   LEU  36           HA       LEU  36  -4.919   1.126  -4.514
  300   1HB   LEU  36          2HB       LEU  36  -7.346   1.525  -4.243
  301   2HB   LEU  36          1HB       LEU  36  -6.403   2.550  -3.164
  302    HG   LEU  36           HG       LEU  36  -6.809   3.855  -5.729
  303   1HD1  LEU  36          1HD1      LEU  36  -8.876   2.402  -5.652
  304   2HD1  LEU  36          3HD1      LEU  36  -9.322   3.223  -4.158
  305   3HD1  LEU  36          2HD1      LEU  36  -9.204   4.133  -5.663
  306   1HD2  LEU  36          2HD2      LEU  36  -6.155   4.960  -3.609
  307   2HD2  LEU  36          1HD2      LEU  36  -7.640   5.652  -4.262
  308   3HD2  LEU  36          3HD2      LEU  36  -7.714   4.523  -2.909
  309    H    LEU  37           H        LEU  37  -3.796   1.651  -6.936
  310    HA   LEU  37           HA       LEU  37  -5.984   0.974  -8.861
  311   1HB   LEU  37          2HB       LEU  37  -4.261   3.248  -8.928
  312   2HB   LEU  37          1HB       LEU  37  -3.773   2.177 -10.241
  313    HG   LEU  37           HG       LEU  37  -6.301   2.010 -10.775
  314   1HD1  LEU  37          1HD1      LEU  37  -6.195   4.387  -8.905
  315   2HD1  LEU  37          3HD1      LEU  37  -7.472   4.193 -10.107
  316   3HD1  LEU  37          2HD1      LEU  37  -7.273   2.992  -8.830
  317   1HD2  LEU  37          3HD2      LEU  37  -4.799   4.621 -11.153
  318   2HD2  LEU  37          2HD2      LEU  37  -4.682   3.202 -12.193
  319   3HD2  LEU  37          1HD2      LEU  37  -6.194   4.107 -12.103
  320    H    LEU  38           H        LEU  38  -2.492   0.756  -8.151
  321    HA   LEU  38           HA       LEU  38  -1.828  -1.201 -10.110
  322   1HB   LEU  38          2HB       LEU  38  -0.273   0.204  -8.598
  323   2HB   LEU  38          1HB       LEU  38  -0.553  -1.025  -7.371
  324    HG   LEU  38           HG       LEU  38   1.496  -1.170  -9.091
  325   1HD1  LEU  38          3HD1      LEU  38   0.638  -2.748  -7.192
  326   2HD1  LEU  38          2HD1      LEU  38   0.011  -3.718  -8.524
  327   3HD1  LEU  38          1HD1      LEU  38   1.740  -3.388  -8.412
  328   1HD2  LEU  38          2HD2      LEU  38  -0.237  -1.250 -11.012
  329   2HD2  LEU  38          1HD2      LEU  38   1.061  -2.441 -11.036
  330   3HD2  LEU  38          3HD2      LEU  38  -0.548  -2.902 -10.482
  331    H    VAL  39           H        VAL  39  -3.424  -1.483  -6.995
  332    HA   VAL  39           HA       VAL  39  -3.084  -4.383  -6.814
  333    HB   VAL  39           HB       VAL  39  -5.165  -2.797  -5.294
  334   1HG1  VAL  39          2HG1      VAL  39  -4.527  -5.444  -5.259
  335   2HG1  VAL  39          1HG1      VAL  39  -3.421  -4.837  -4.027
  336   3HG1  VAL  39          3HG1      VAL  39  -5.158  -4.579  -3.858
  337   1HG2  VAL  39          2HG2      VAL  39  -2.165  -2.773  -4.989
  338   2HG2  VAL  39          1HG2      VAL  39  -3.295  -1.421  -4.906
  339   3HG2  VAL  39          3HG2      VAL  39  -3.204  -2.577  -3.578
  340    H    ASP  40           H        ASP  40  -6.196  -4.431  -6.037
  341    HA   ASP  40           HA       ASP  40  -7.457  -4.200  -8.661
  342   1HB   ASP  40          2HB       ASP  40  -6.072  -6.406  -8.609
  343   2HB   ASP  40          1HB       ASP  40  -7.334  -6.993  -7.526
  344    H    THR  41           H        THR  41  -8.522  -2.820  -6.791
  345    HA   THR  41           HA       THR  41 -10.971  -4.253  -6.021
  346    HB   THR  41           HB       THR  41  -8.813  -3.702  -4.136
  347    HG1  THR  41           HG1      THR  41  -9.617  -5.622  -3.867
  348   1HG2  THR  41          3HG2      THR  41 -11.576  -2.651  -3.467
  349   2HG2  THR  41          2HG2      THR  41 -10.275  -2.883  -2.302
  350   3HG2  THR  41          1HG2      THR  41 -10.099  -1.695  -3.592
  351    HA   PRO  42           HA       PRO  42 -12.756  -0.367  -7.017
  352   1HB   PRO  42          2HB       PRO  42 -14.947  -0.685  -5.200
  353   2HB   PRO  42          1HB       PRO  42 -14.925  -1.017  -6.936
  354   1HG   PRO  42          2HG       PRO  42 -14.998  -2.926  -4.771
  355   2HG   PRO  42          1HG       PRO  42 -15.003  -3.252  -6.508
  356   1HD   PRO  42          2HD       PRO  42 -12.841  -3.656  -4.642
  357   2HD   PRO  42          1HD       PRO  42 -12.858  -3.990  -6.384
  358    H    GLU  43           H        GLU  43 -13.640   1.656  -5.892
  359    HA   GLU  43           HA       GLU  43 -12.002   2.213  -3.478
  360   1HB   GLU  43          2HB       GLU  43 -12.530   4.602  -3.980
  361   2HB   GLU  43          1HB       GLU  43 -11.748   3.784  -5.331
  362   1HG   GLU  43          2HG       GLU  43 -13.538   4.100  -6.671
  363   2HG   GLU  43          1HG       GLU  43 -14.649   3.498  -5.441
  364    H    THR  44           H        THR  44 -14.306   0.586  -3.070
  365    HA   THR  44           HA       THR  44 -16.027   0.386  -1.501
  366    HB   THR  44           HB       THR  44 -15.555   3.291  -0.784
  367    HG1  THR  44           HG1      THR  44 -13.682   2.662  -0.122
  368   1HG2  THR  44          3HG2      THR  44 -16.673   0.897   0.696
  369   2HG2  THR  44          2HG2      THR  44 -16.311   2.447   1.457
  370   3HG2  THR  44          1HG2      THR  44 -17.550   2.347   0.205
  371    H    LYS  45           H        LYS  45 -18.241   0.570  -1.657
  372    HA   LYS  45           HA       LYS  45 -19.370   2.838  -3.223
  373   1HB   LYS  45          2HB       LYS  45 -20.885   1.133  -4.378
  374   2HB   LYS  45          1HB       LYS  45 -19.203   1.149  -4.903
  375   1HG   LYS  45          2HG       LYS  45 -19.647  -0.648  -2.632
  376   2HG   LYS  45          1HG       LYS  45 -20.611  -1.086  -4.041
  377   1HD   LYS  45          2HD       LYS  45 -17.688  -0.425  -4.341
  378   2HD   LYS  45          1HD       LYS  45 -18.194  -2.041  -3.847
  379   1HE   LYS  45          2HE       LYS  45 -19.846  -1.787  -5.913
  380   2HE   LYS  45          1HE       LYS  45 -18.629  -0.631  -6.453
  381   1HZ   LYS  45          2HZ       LYS  45 -17.825  -3.307  -5.503
  382   2HZ   LYS  45          1HZ       LYS  45 -18.378  -3.093  -7.095
  383   3HZ   LYS  45          3HZ       LYS  45 -17.009  -2.252  -6.556
  384    H    HIS  46           H        HIS  46 -20.590   3.762  -1.640
  385    HA   HIS  46           HA       HIS  46 -21.980   2.149   0.367
  386   1HB   HIS  46          2HB       HIS  46 -21.538   5.055  -0.123
  387   2HB   HIS  46          1HB       HIS  46 -22.958   4.604   0.820
  388    HD1  HIS  46           HD1      HIS  46 -22.377   2.816   2.857
  389    HD2  HIS  46           HD2      HIS  46 -19.226   5.117   1.390
  390    HE1  HIS  46           HE1      HIS  46 -20.553   2.733   4.611
  391    HA   PRO  47           HA       PRO  47 -25.876   4.030  -1.885
  392   1HB   PRO  47          2HB       PRO  47 -25.076   4.592  -4.604
  393   2HB   PRO  47          1HB       PRO  47 -25.752   5.705  -3.409
  394   1HG   PRO  47          2HG       PRO  47 -23.044   5.603  -4.350
  395   2HG   PRO  47          1HG       PRO  47 -23.709   6.661  -3.098
  396   1HD   PRO  47          2HD       PRO  47 -21.944   4.401  -2.763
  397   2HD   PRO  47          1HD       PRO  47 -22.575   5.491  -1.513
  398    H    LYS  48           H        LYS  48 -23.604   2.594  -4.274
  399    HA   LYS  48           HA       LYS  48 -25.654   0.613  -5.046
  400   1HB   LYS  48          2HB       LYS  48 -23.349   1.785  -6.294
  401   2HB   LYS  48          1HB       LYS  48 -23.143   0.035  -6.261
  402   1HG   LYS  48          2HG       LYS  48 -25.741   1.295  -7.142
  403   2HG   LYS  48          1HG       LYS  48 -24.414   1.030  -8.274
  404   1HD   LYS  48          2HD       LYS  48 -24.390  -1.396  -7.484
  405   2HD   LYS  48          1HD       LYS  48 -25.917  -1.051  -6.669
  406   1HE   LYS  48          2HE       LYS  48 -26.905  -0.350  -8.821
  407   2HE   LYS  48          1HE       LYS  48 -25.385  -0.712  -9.636
  408   1HZ   LYS  48          1HZ       LYS  48 -27.030  -2.671  -8.125
  409   2HZ   LYS  48          3HZ       LYS  48 -26.974  -2.537  -9.815
  410   3HZ   LYS  48          2HZ       LYS  48 -25.586  -3.008  -8.956
  411    H    LYS  49           H        LYS  49 -25.129  -1.713  -5.025
  412    HA   LYS  49           HA       LYS  49 -23.411  -2.419  -2.685
  413   1HB   LYS  49          2HB       LYS  49 -24.906  -4.682  -3.155
  414   2HB   LYS  49          1HB       LYS  49 -25.308  -3.443  -1.973
  415   1HG   LYS  49          2HG       LYS  49 -27.298  -3.689  -3.206
  416   2HG   LYS  49          1HG       LYS  49 -26.552  -2.271  -3.935
  417   1HD   LYS  49          2HD       LYS  49 -25.866  -3.460  -5.848
  418   2HD   LYS  49          1HD       LYS  49 -26.003  -5.022  -5.037
  419   1HE   LYS  49          2HE       LYS  49 -28.526  -4.477  -4.845
  420   2HE   LYS  49          1HE       LYS  49 -28.212  -3.243  -6.065
  421   1HZ   LYS  49          2HZ       LYS  49 -27.302  -4.951  -7.511
  422   2HZ   LYS  49          1HZ       LYS  49 -27.611  -6.140  -6.336
  423   3HZ   LYS  49          3HZ       LYS  49 -28.901  -5.324  -7.074
  424    H    GLY  50           H        GLY  50 -21.439  -2.904  -3.529
  425   1HA   GLY  50          2HA       GLY  50 -21.286  -4.584  -5.983
  426   2HA   GLY  50          1HA       GLY  50 -19.955  -3.654  -5.298
  427    H    VAL  51           H        VAL  51 -20.114  -6.560  -5.974
  428    HA   VAL  51           HA       VAL  51 -19.733  -7.741  -3.260
  429    HB   VAL  51           HB       VAL  51 -19.891  -9.335  -5.802
  430   1HG1  VAL  51          3HG1      VAL  51 -19.212 -10.277  -3.502
  431   2HG1  VAL  51          2HG1      VAL  51 -20.894 -10.020  -3.038
  432   3HG1  VAL  51          1HG1      VAL  51 -20.503 -11.119  -4.360
  433   1HG2  VAL  51          3HG2      VAL  51 -22.167  -8.161  -4.190
  434   2HG2  VAL  51          2HG2      VAL  51 -21.896  -8.031  -5.928
  435   3HG2  VAL  51          1HG2      VAL  51 -22.373  -9.576  -5.222
  436    H    GLU  52           H        GLU  52 -17.706  -6.044  -4.371
  437    HA   GLU  52           HA       GLU  52 -15.566  -8.028  -5.030
  438   1HB   GLU  52          2HB       GLU  52 -16.289  -5.641  -6.341
  439   2HB   GLU  52          1HB       GLU  52 -14.793  -5.270  -5.484
  440   1HG   GLU  52          2HG       GLU  52 -14.731  -7.901  -6.775
  441   2HG   GLU  52          1HG       GLU  52 -14.971  -6.587  -7.924
  442    H    LYS  53           H        LYS  53 -16.505  -7.465  -2.331
  443    HA   LYS  53           HA       LYS  53 -14.271  -5.888  -1.153
  444   1HB   LYS  53          2HB       LYS  53 -15.545  -6.082   0.970
  445   2HB   LYS  53          1HB       LYS  53 -16.509  -5.350  -0.310
  446   1HG   LYS  53          2HG       LYS  53 -16.821  -8.215  -0.407
  447   2HG   LYS  53          1HG       LYS  53 -17.145  -7.645   1.230
  448   1HD   LYS  53          2HD       LYS  53 -18.606  -5.835   0.141
  449   2HD   LYS  53          1HD       LYS  53 -18.488  -6.789  -1.338
  450   1HE   LYS  53          2HE       LYS  53 -19.188  -8.339   1.080
  451   2HE   LYS  53          1HE       LYS  53 -20.404  -7.166   0.575
  452   1HZ   LYS  53          3HZ       LYS  53 -19.156  -9.011  -1.367
  453   2HZ   LYS  53          2HZ       LYS  53 -20.495  -9.487  -0.436
  454   3HZ   LYS  53          1HZ       LYS  53 -20.621  -8.166  -1.497
  455    H    TYR  54           H        TYR  54 -13.289  -6.902   0.893
  456    HA   TYR  54           HA       TYR  54 -11.988  -8.615   1.820
  457   1HB   TYR  54          2HB       TYR  54 -14.600  -9.860   1.165
  458   2HB   TYR  54          1HB       TYR  54 -13.264 -10.993   1.370
  459    HD1  TYR  54           HD1      TYR  54 -15.324  -8.412   3.010
  460    HD2  TYR  54           HD2      TYR  54 -12.131 -11.242   3.512
  461    HE1  TYR  54           HE1      TYR  54 -15.478  -8.150   5.471
  462    HE2  TYR  54           HE2      TYR  54 -12.285 -10.980   5.973
  463    HH   TYR  54           HH       TYR  54 -14.601 -10.053   7.580
  464    H    GLY  55           H        GLY  55 -10.483  -8.095   0.025
  465   1HA   GLY  55          2HA       GLY  55 -10.239  -9.114  -2.500
  466   2HA   GLY  55          1HA       GLY  55  -8.845  -8.974  -1.436
  467    HA   PRO  56           HA       PRO  56 -10.599 -13.531  -1.584
  468   1HB   PRO  56          2HB       PRO  56 -11.010 -14.023  -4.357
  469   2HB   PRO  56          1HB       PRO  56 -12.250 -13.930  -3.099
  470   1HG   PRO  56          2HG       PRO  56 -11.720 -12.034  -5.222
  471   2HG   PRO  56          1HG       PRO  56 -13.005 -11.983  -4.006
  472   1HD   PRO  56          2HD       PRO  56 -10.602 -10.376  -4.131
  473   2HD   PRO  56          1HD       PRO  56 -11.924 -10.285  -2.950
  474    H    GLU  57           H        GLU  57  -9.707 -15.333  -3.561
  475    HA   GLU  57           HA       GLU  57  -6.820 -15.074  -3.314
  476   1HB   GLU  57          2HB       GLU  57  -8.399 -17.230  -3.489
  477   2HB   GLU  57          1HB       GLU  57  -8.017 -17.054  -5.203
  478   1HG   GLU  57          2HG       GLU  57  -5.610 -17.043  -4.673
  479   2HG   GLU  57          1HG       GLU  57  -5.982 -17.205  -2.957
  480    H    ALA  58           H        ALA  58  -9.184 -14.739  -5.955
  481    HA   ALA  58           HA       ALA  58  -7.345 -14.406  -8.107
  482   1HB   ALA  58          2HB       ALA  58  -9.818 -14.706  -8.367
  483   2HB   ALA  58          1HB       ALA  58 -10.044 -13.059  -7.776
  484   3HB   ALA  58          3HB       ALA  58  -9.191 -13.342  -9.293
  485    H    SER  59           H        SER  59  -8.841 -11.990  -5.935
  486    HA   SER  59           HA       SER  59  -7.373  -9.760  -7.092
  487   1HB   SER  59          2HB       SER  59  -9.603  -9.662  -5.804
  488   2HB   SER  59          1HB       SER  59  -8.632  -9.816  -4.342
  489    HG   SER  59           HG       SER  59  -8.287  -7.760  -4.539
  490    H    ALA  60           H        ALA  60  -6.836 -12.042  -4.456
  491    HA   ALA  60           HA       ALA  60  -4.741 -10.592  -3.123
  492   1HB   ALA  60          2HB       ALA  60  -5.409 -13.541  -3.249
  493   2HB   ALA  60          1HB       ALA  60  -4.111 -12.892  -2.248
  494   3HB   ALA  60          3HB       ALA  60  -5.781 -12.407  -1.950
  495    H    PHE  61           H        PHE  61  -4.781 -12.543  -6.045
  496    HA   PHE  61           HA       PHE  61  -2.038 -13.267  -6.215
  497   1HB   PHE  61          2HB       PHE  61  -3.982 -12.518  -8.424
  498   2HB   PHE  61          1HB       PHE  61  -2.409 -13.264  -8.696
  499    HD1  PHE  61           HD1      PHE  61  -2.384 -15.115  -6.274
  500    HD2  PHE  61           HD2      PHE  61  -5.420 -14.257  -9.191
  501    HE1  PHE  61           HE1      PHE  61  -3.382 -17.353  -5.897
  502    HE2  PHE  61           HE2      PHE  61  -6.417 -16.495  -8.810
  503    HZ   PHE  61           HZ       PHE  61  -5.397 -18.043  -7.165
  504    H    THR  62           H        THR  62  -3.688 -10.287  -7.312
  505    HA   THR  62           HA       THR  62  -1.263  -9.006  -8.263
  506    HB   THR  62           HB       THR  62  -3.783  -7.597  -7.332
  507    HG1  THR  62           HG1      THR  62  -4.744  -8.720  -8.812
  508   1HG2  THR  62          1HG2      THR  62  -1.722  -6.279  -7.967
  509   2HG2  THR  62          3HG2      THR  62  -1.880  -6.949  -9.592
  510   3HG2  THR  62          2HG2      THR  62  -3.153  -5.922  -8.935
  511    H    LYS  63           H        LYS  63  -2.963  -9.168  -5.187
  512    HA   LYS  63           HA       LYS  63  -1.375  -7.096  -3.890
  513   1HB   LYS  63          2HB       LYS  63  -3.785  -8.064  -3.345
  514   2HB   LYS  63          1HB       LYS  63  -2.862  -9.201  -2.365
  515   1HG   LYS  63          2HG       LYS  63  -1.657  -6.961  -1.559
  516   2HG   LYS  63          1HG       LYS  63  -3.201  -6.252  -2.035
  517   1HD   LYS  63          2HD       LYS  63  -2.829  -8.562  -0.105
  518   2HD   LYS  63          1HD       LYS  63  -3.259  -6.909   0.333
  519   1HE   LYS  63          2HE       LYS  63  -5.426  -7.456   0.051
  520   2HE   LYS  63          1HE       LYS  63  -5.101  -7.682  -1.667
  521   1HZ   LYS  63          3HZ       LYS  63  -4.375  -9.975  -1.115
  522   2HZ   LYS  63          2HZ       LYS  63  -4.914  -9.726   0.478
  523   3HZ   LYS  63          1HZ       LYS  63  -6.020  -9.686  -0.813
  524    H    LYS  64           H        LYS  64  -0.728 -10.341  -4.737
  525    HA   LYS  64           HA       LYS  64   0.812 -11.142  -2.437
  526   1HB   LYS  64          2HB       LYS  64   0.559 -12.112  -5.270
  527   2HB   LYS  64          1HB       LYS  64   1.883 -12.708  -4.277
  528   1HG   LYS  64          2HG       LYS  64  -1.079 -13.051  -3.862
  529   2HG   LYS  64          1HG       LYS  64   0.177 -14.283  -3.903
  530   1HD   LYS  64          2HD       LYS  64   1.111 -13.084  -1.796
  531   2HD   LYS  64          1HD       LYS  64  -0.488 -12.347  -1.698
  532   1HE   LYS  64          2HE       LYS  64  -1.561 -14.483  -1.510
  533   2HE   LYS  64          1HE       LYS  64  -0.074 -15.336  -1.924
  534   1HZ   LYS  64          1HZ       LYS  64  -0.474 -13.669   0.503
  535   2HZ   LYS  64          3HZ       LYS  64  -0.514 -15.364   0.463
  536   3HZ   LYS  64          2HZ       LYS  64   0.930 -14.543   0.110
  537    H    MET  65           H        MET  65   1.422  -8.910  -4.959
  538    HA   MET  65           HA       MET  65   4.238  -9.116  -5.254
  539   1HB   MET  65          2HB       MET  65   4.115  -6.974  -6.226
  540   2HB   MET  65          1HB       MET  65   2.501  -7.627  -6.489
  541   1HG   MET  65          2HG       MET  65   2.047  -6.489  -4.119
  542   2HG   MET  65          1HG       MET  65   3.390  -5.465  -4.627
  543   1HE   MET  65          1HE       MET  65   0.259  -5.389  -4.006
  544   2HE   MET  65          3HE       MET  65   0.673  -3.707  -4.363
  545   3HE   MET  65          2HE       MET  65  -0.649  -4.493  -5.222
  546    H    LEU  66           H        LEU  66   2.439  -8.414  -2.446
  547    HA   LEU  66           HA       LEU  66   4.818  -7.180  -1.125
  548   1HB   LEU  66          2HB       LEU  66   1.960  -6.468  -1.113
  549   2HB   LEU  66          1HB       LEU  66   2.672  -6.577   0.494
  550    HG   LEU  66           HG       LEU  66   4.626  -5.191  -0.722
  551   1HD1  LEU  66          1HD1      LEU  66   2.110  -4.749  -2.314
  552   2HD1  LEU  66          3HD1      LEU  66   3.258  -3.427  -2.101
  553   3HD1  LEU  66          2HD1      LEU  66   3.770  -4.920  -2.886
  554   1HD2  LEU  66          3HD2      LEU  66   2.107  -4.403   0.683
  555   2HD2  LEU  66          2HD2      LEU  66   3.784  -4.202   1.192
  556   3HD2  LEU  66          1HD2      LEU  66   3.091  -3.115  -0.011
  557    H    GLU  67           H        GLU  67   2.535  -9.830  -1.115
  558    HA   GLU  67           HA       GLU  67   2.929 -10.479   1.710
  559   1HB   GLU  67          2HB       GLU  67   1.361 -11.572  -0.566
  560   2HB   GLU  67          1HB       GLU  67   1.807 -12.710   0.705
  561   1HG   GLU  67          2HG       GLU  67   0.092 -11.914   1.928
  562   2HG   GLU  67          1HG       GLU  67   0.959 -10.384   2.048
  563    H    ASN  68           H        ASN  68   4.506 -11.279  -1.299
  564    HA   ASN  68           HA       ASN  68   6.387 -13.002   0.216
  565   1HB   ASN  68          2HB       ASN  68   6.163 -14.870  -1.283
  566   2HB   ASN  68          1HB       ASN  68   4.553 -14.442  -0.710
  567   1HD2  ASN  68          2HD2      ASN  68   3.673 -12.958  -3.970
  568   2HD2  ASN  68          1HD2      ASN  68   3.523 -12.549  -2.326
  569    H    ALA  69           H        ALA  69   5.819 -10.894  -2.530
  570    HA   ALA  69           HA       ALA  69   8.220 -11.541  -3.990
  571   1HB   ALA  69          3HB       ALA  69   6.129 -10.158  -4.734
  572   2HB   ALA  69          2HB       ALA  69   6.989  -8.797  -4.011
  573   3HB   ALA  69          1HB       ALA  69   7.720  -9.696  -5.340
  574    H    LYS  70           H        LYS  70  10.293 -10.955  -3.610
  575    HA   LYS  70           HA       LYS  70  10.850  -9.195  -1.275
  576   1HB   LYS  70          2HB       LYS  70  11.888 -11.603  -1.801
  577   2HB   LYS  70          1HB       LYS  70  13.024 -10.636  -2.739
  578   1HG   LYS  70          2HG       LYS  70  13.863  -9.551  -0.869
  579   2HG   LYS  70          1HG       LYS  70  12.369  -9.753   0.047
  580   1HD   LYS  70          2HD       LYS  70  12.851 -12.229   0.133
  581   2HD   LYS  70          1HD       LYS  70  14.428 -11.887  -0.579
  582   1HE   LYS  70          2HE       LYS  70  13.640 -10.288   1.814
  583   2HE   LYS  70          1HE       LYS  70  14.064 -11.978   2.077
  584   1HZ   LYS  70          3HZ       LYS  70  15.749  -9.994   0.646
  585   2HZ   LYS  70          2HZ       LYS  70  15.991 -10.516   2.244
  586   3HZ   LYS  70          1HZ       LYS  70  16.158 -11.611   0.955
  587    H    LYS  71           H        LYS  71  11.969  -9.668  -4.654
  588    HA   LYS  71           HA       LYS  71  13.300  -7.049  -4.674
  589   1HB   LYS  71          2HB       LYS  71  12.724  -9.054  -6.881
  590   2HB   LYS  71          1HB       LYS  71  13.643  -7.567  -7.113
  591   1HG   LYS  71          2HG       LYS  71  15.411  -8.296  -5.738
  592   2HG   LYS  71          1HG       LYS  71  14.419  -9.529  -4.960
  593   1HD   LYS  71          2HD       LYS  71  15.028  -9.637  -7.915
  594   2HD   LYS  71          1HD       LYS  71  16.128 -10.328  -6.723
  595   1HE   LYS  71          2HE       LYS  71  13.198 -11.024  -6.674
  596   2HE   LYS  71          1HE       LYS  71  14.297 -11.868  -7.763
  597   1HZ   LYS  71          2HZ       LYS  71  15.700 -12.376  -5.819
  598   2HZ   LYS  71          1HZ       LYS  71  14.524 -11.681  -4.808
  599   3HZ   LYS  71          3HZ       LYS  71  14.151 -13.066  -5.713
  600    H    ILE  72           H        ILE  72  12.230  -5.152  -5.096
  601    HA   ILE  72           HA       ILE  72   9.750  -5.287  -6.735
  602    HB   ILE  72           HB       ILE  72   9.977  -3.668  -4.204
  603   1HG1  ILE  72          2HG1      ILE  72   8.401  -6.224  -4.568
  604   2HG1  ILE  72          1HG1      ILE  72  10.002  -6.190  -3.834
  605   1HG2  ILE  72          1HG2      ILE  72   8.402  -2.941  -6.043
  606   2HG2  ILE  72          3HG2      ILE  72   7.536  -4.457  -5.798
  607   3HG2  ILE  72          2HG2      ILE  72   7.632  -3.274  -4.494
  608   1HD1  ILE  72          1HD1      ILE  72   7.694  -4.499  -2.846
  609   2HD1  ILE  72          3HD1      ILE  72   8.073  -6.095  -2.193
  610   3HD1  ILE  72          2HD1      ILE  72   9.241  -4.781  -2.045
  611    H    GLU  73           H        GLU  73  10.342  -4.083  -8.476
  612    HA   GLU  73           HA       GLU  73  12.086  -1.742  -8.169
  613   1HB   GLU  73          2HB       GLU  73  10.632  -2.828 -10.614
  614   2HB   GLU  73          1HB       GLU  73  11.831  -1.539 -10.632
  615   1HG   GLU  73          2HG       GLU  73  13.174  -3.367 -11.141
  616   2HG   GLU  73          1HG       GLU  73  13.324  -3.332  -9.384
  617    H    VAL  74           H        VAL  74  10.437  -0.818  -6.635
  618    HA   VAL  74           HA       VAL  74   7.847   0.012  -7.472
  619    HB   VAL  74           HB       VAL  74   9.376   1.713  -5.541
  620   1HG1  VAL  74          3HG1      VAL  74   6.645   1.111  -6.213
  621   2HG1  VAL  74          2HG1      VAL  74   6.939   0.722  -4.518
  622   3HG1  VAL  74          1HG1      VAL  74   7.269   2.347  -5.120
  623   1HG2  VAL  74          1HG2      VAL  74   8.856  -1.213  -5.257
  624   2HG2  VAL  74          3HG2      VAL  74  10.179  -0.242  -4.611
  625   3HG2  VAL  74          2HG2      VAL  74   8.590  -0.186  -3.850
  626    H    GLU  75           H        GLU  75   7.474   1.258  -9.178
  627    HA   GLU  75           HA       GLU  75   9.392   3.364  -9.995
  628   1HB   GLU  75          2HB       GLU  75   7.884   1.544 -11.400
  629   2HB   GLU  75          1HB       GLU  75   6.876   2.987 -11.504
  630   1HG   GLU  75          2HG       GLU  75   8.429   4.147 -12.736
  631   2HG   GLU  75          1HG       GLU  75   9.794   3.321 -11.994
  632    H    PHE  76           H        PHE  76   9.067   5.247  -8.734
  633    HA   PHE  76           HA       PHE  76   6.292   6.325  -8.696
  634   1HB   PHE  76          2HB       PHE  76   6.515   6.807  -6.237
  635   2HB   PHE  76          1HB       PHE  76   6.427   5.095  -6.628
  636    HD1  PHE  76           HD1      PHE  76   8.497   3.688  -6.613
  637    HD2  PHE  76           HD2      PHE  76   8.498   7.760  -5.242
  638    HE1  PHE  76           HE1      PHE  76  10.658   3.304  -5.463
  639    HE2  PHE  76           HE2      PHE  76  10.659   7.373  -4.097
  640    HZ   PHE  76           HZ       PHE  76  11.739   5.147  -4.208
  641    H    ASP  77           H        ASP  77   8.098   7.623 -10.329
  642    HA   ASP  77           HA       ASP  77   8.877   9.797 -10.710
  643   1HB   ASP  77          2HB       ASP  77   6.848  10.338  -9.236
  644   2HB   ASP  77          1HB       ASP  77   8.004  10.521  -7.917
  645    H    LYS  78           H        LYS  78  10.807  10.957 -10.411
  646    HA   LYS  78           HA       LYS  78  13.002   9.695  -9.174
  647   1HB   LYS  78          2HB       LYS  78  12.445  12.451 -10.172
  648   2HB   LYS  78          1HB       LYS  78  13.843  12.254  -9.114
  649   1HG   LYS  78          2HG       LYS  78  13.442  10.333 -11.388
  650   2HG   LYS  78          1HG       LYS  78  14.116  11.930 -11.713
  651   1HD   LYS  78          2HD       LYS  78  15.864  11.523  -9.995
  652   2HD   LYS  78          1HD       LYS  78  15.210   9.906  -9.737
  653   1HE   LYS  78          2HE       LYS  78  16.752   9.319 -11.318
  654   2HE   LYS  78          1HE       LYS  78  15.510   9.875 -12.438
  655   1HZ   LYS  78          2HZ       LYS  78  16.540  12.100 -12.339
  656   2HZ   LYS  78          1HZ       LYS  78  17.793  11.457 -11.387
  657   3HZ   LYS  78          3HZ       LYS  78  17.578  10.918 -12.980
  658    H    GLY  79           H        GLY  79  10.879  12.263  -7.870
  659   1HA   GLY  79          2HA       GLY  79  12.077  11.801  -5.180
  660   2HA   GLY  79          1HA       GLY  79  11.294  13.304  -5.676
  661    H    GLN  80           H        GLN  80  10.127  12.625  -3.548
  662    HA   GLN  80           HA       GLN  80   8.074  10.566  -3.862
  663   1HB   GLN  80          2HB       GLN  80   9.338  11.491  -1.665
  664   2HB   GLN  80          1HB       GLN  80   7.903  12.515  -1.619
  665   1HG   GLN  80          2HG       GLN  80   7.691  10.308  -0.373
  666   2HG   GLN  80          1HG       GLN  80   6.440  10.609  -1.578
  667   1HE2  GLN  80          2HE2      GLN  80   7.187   7.601  -3.239
  668   2HE2  GLN  80          1HE2      GLN  80   6.025   8.751  -2.785
  669    H    ARG  81           H        ARG  81   5.970  10.906  -4.424
  670    HA   ARG  81           HA       ARG  81   5.225  13.668  -5.226
  671   1HB   ARG  81          2HB       ARG  81   4.410  10.923  -6.035
  672   2HB   ARG  81          1HB       ARG  81   3.145  12.151  -6.070
  673   1HG   ARG  81          2HG       ARG  81   4.366  13.515  -7.591
  674   2HG   ARG  81          1HG       ARG  81   5.853  12.603  -7.334
  675   1HD   ARG  81          2HD       ARG  81   5.005  10.700  -8.498
  676   2HD   ARG  81          1HD       ARG  81   3.361  11.334  -8.487
  677    HE   ARG  81           HE       ARG  81   5.035  11.751 -10.618
  678   1HH1  ARG  81          1HH2      ARG  81   6.326  14.109  -9.834
  679   2HH1  ARG  81          2HH2      ARG  81   5.191  15.389 -10.107
  680   1HH2  ARG  81          2HH1      ARG  81   2.439  13.274 -10.261
  681   2HH2  ARG  81          1HH1      ARG  81   2.985  14.915 -10.349
  682    H    THR  82           H        THR  82   5.213  13.848  -2.657
  683    HA   THR  82           HA       THR  82   2.826  12.841  -1.346
  684    HB   THR  82           HB       THR  82   3.584  14.305   0.533
  685    HG1  THR  82           HG1      THR  82   4.774  15.910  -0.094
  686   1HG2  THR  82          3HG2      THR  82   4.499  11.920  -0.065
  687   2HG2  THR  82          2HG2      THR  82   5.980  12.790  -0.464
  688   3HG2  THR  82          1HG2      THR  82   5.321  12.875   1.169
  689    H    ASP  83           H        ASP  83   1.223  14.296  -0.422
  690    HA   ASP  83           HA       ASP  83   0.978  17.010  -1.359
  691   1HB   ASP  83          2HB       ASP  83   0.504  15.718  -3.441
  692   2HB   ASP  83          1HB       ASP  83  -0.889  15.004  -2.630
  693    H    LYS  84           H        LYS  84  -1.615  14.588  -0.872
  694    HA   LYS  84           HA       LYS  84  -2.978  16.384   0.980
  695   1HB   LYS  84          2HB       LYS  84  -4.648  14.569   1.131
  696   2HB   LYS  84          1HB       LYS  84  -4.244  14.933  -0.546
  697   1HG   LYS  84          2HG       LYS  84  -3.487  12.839  -0.892
  698   2HG   LYS  84          1HG       LYS  84  -2.440  12.928   0.524
  699   1HD   LYS  84          2HD       LYS  84  -3.829  11.316   1.344
  700   2HD   LYS  84          1HD       LYS  84  -4.877  12.684   1.721
  701   1HE   LYS  84          2HE       LYS  84  -6.027  12.410  -0.443
  702   2HE   LYS  84          1HE       LYS  84  -4.974  11.050  -0.833
  703   1HZ   LYS  84          3HZ       LYS  84  -6.826  11.187   1.486
  704   2HZ   LYS  84          2HZ       LYS  84  -7.098  10.311   0.056
  705   3HZ   LYS  84          1HZ       LYS  84  -5.825   9.874   1.093
  706    H    TYR  85           H        TYR  85  -0.384  14.398   1.438
  707    HA   TYR  85           HA       TYR  85  -0.138  14.590   4.195
  708   1HB   TYR  85          2HB       TYR  85  -2.129  13.326   4.617
  709   2HB   TYR  85          1HB       TYR  85  -1.743  12.155   3.359
  710    HD1  TYR  85           HD1      TYR  85  -0.563  13.470   6.655
  711    HD2  TYR  85           HD2      TYR  85  -0.516  10.203   3.866
  712    HE1  TYR  85           HE1      TYR  85   0.608  12.059   8.326
  713    HE2  TYR  85           HE2      TYR  85   0.654   8.793   5.535
  714    HH   TYR  85           HH       TYR  85   2.296   9.565   7.766
  715    H    GLY  86           H        GLY  86   0.229  12.580   1.331
  716   1HA   GLY  86          2HA       GLY  86   2.925  12.512   1.077
  717   2HA   GLY  86          1HA       GLY  86   2.653  11.265   2.297
  718    H    ARG  87           H        ARG  87   1.038   9.581   1.733
  719    HA   ARG  87           HA       ARG  87   0.440   7.795   0.333
  720   1HB   ARG  87          2HB       ARG  87  -0.806  10.113  -0.558
  721   2HB   ARG  87          1HB       ARG  87  -0.094   9.442  -2.021
  722   1HG   ARG  87          2HG       ARG  87  -2.461   8.658  -1.466
  723   2HG   ARG  87          1HG       ARG  87  -1.277   7.394  -1.783
  724   1HD   ARG  87          2HD       ARG  87  -0.966   7.600   0.877
  725   2HD   ARG  87          1HD       ARG  87  -2.626   8.153   0.772
  726    HE   ARG  87           HE       ARG  87  -1.588   5.436   0.407
  727   1HH1  ARG  87          2HH1      ARG  87  -2.702   6.285  -2.333
  728   2HH1  ARG  87          1HH1      ARG  87  -4.305   5.642  -2.237
  729   1HH2  ARG  87          1HH2      ARG  87  -4.212   5.186   1.201
  730   2HH2  ARG  87          2HH2      ARG  87  -5.160   5.019  -0.239
  731    H    VAL  88           H        VAL  88   0.803   6.853  -1.995
  732    HA   VAL  88           HA       VAL  88   3.304   7.794  -3.198
  733    HB   VAL  88           HB       VAL  88   3.100   5.138  -1.776
  734   1HG1  VAL  88          3HG1      VAL  88   5.061   6.110  -3.899
  735   2HG1  VAL  88          2HG1      VAL  88   5.422   4.787  -2.792
  736   3HG1  VAL  88          1HG1      VAL  88   4.098   4.635  -3.942
  737   1HG2  VAL  88          2HG2      VAL  88   4.780   7.640  -1.693
  738   2HG2  VAL  88          1HG2      VAL  88   3.891   6.870  -0.380
  739   3HG2  VAL  88          3HG2      VAL  88   5.367   6.131  -0.998
  740    H    LEU  89           H        LEU  89   1.483   8.181  -4.563
  741    HA   LEU  89           HA       LEU  89   0.035   6.276  -6.065
  742   1HB   LEU  89          2HB       LEU  89   0.341   8.251  -7.892
  743   2HB   LEU  89          1HB       LEU  89  -0.789   8.364  -6.555
  744    HG   LEU  89           HG       LEU  89   0.822  10.356  -7.020
  745   1HD1  LEU  89          3HD1      LEU  89  -0.254   9.267  -4.584
  746   2HD1  LEU  89          2HD1      LEU  89   1.201  10.213  -4.269
  747   3HD1  LEU  89          1HD1      LEU  89  -0.162  10.944  -5.118
  748   1HD2  LEU  89          2HD2      LEU  89   2.741   8.317  -6.248
  749   2HD2  LEU  89          1HD2      LEU  89   3.011   9.893  -6.978
  750   3HD2  LEU  89          3HD2      LEU  89   2.844   9.748  -5.231
  751    H    ALA  90           H        ALA  90   1.553   4.528  -6.549
  752    HA   ALA  90           HA       ALA  90   3.111   5.022  -9.002
  753   1HB   ALA  90          1HB       ALA  90   4.312   4.808  -6.338
  754   2HB   ALA  90          3HB       ALA  90   5.001   3.685  -7.510
  755   3HB   ALA  90          2HB       ALA  90   5.000   5.417  -7.840
  756    H    TYR  91           H        TYR  91   4.535   2.794  -9.289
  757    HA   TYR  91           HA       TYR  91   2.537   0.586  -9.074
  758   1HB   TYR  91          2HB       TYR  91   4.381   1.468 -11.223
  759   2HB   TYR  91          1HB       TYR  91   4.198  -0.276 -11.010
  760    HD1  TYR  91           HD1      TYR  91   1.804   2.570 -10.549
  761    HD2  TYR  91           HD2      TYR  91   2.706  -1.076 -12.629
  762    HE1  TYR  91           HE1      TYR  91  -0.412   2.650 -11.636
  763    HE2  TYR  91           HE2      TYR  91   0.490  -0.997 -13.722
  764    HH   TYR  91           HH       TYR  91  -1.265   1.403 -14.164
  765    H    ILE  92           H        ILE  92   3.255  -1.482  -8.517
  766    HA   ILE  92           HA       ILE  92   5.908  -1.563  -7.144
  767    HB   ILE  92           HB       ILE  92   3.492  -3.309  -6.570
  768   1HG1  ILE  92          2HG1      ILE  92   2.852  -1.013  -6.084
  769   2HG1  ILE  92          1HG1      ILE  92   3.196  -1.827  -4.557
  770   1HG2  ILE  92          2HG2      ILE  92   6.009  -2.684  -5.000
  771   2HG2  ILE  92          1HG2      ILE  92   4.700  -3.733  -4.456
  772   3HG2  ILE  92          3HG2      ILE  92   5.678  -4.193  -5.851
  773   1HD1  ILE  92          1HD1      ILE  92   5.673  -0.856  -5.223
  774   2HD1  ILE  92          3HD1      ILE  92   4.619   0.406  -5.858
  775   3HD1  ILE  92          2HD1      ILE  92   4.537  -0.036  -4.154
  776    H    TYR  93           H        TYR  93   7.278  -2.545  -8.558
  777    HA   TYR  93           HA       TYR  93   6.297  -4.800 -10.224
  778   1HB   TYR  93          2HB       TYR  93   8.936  -3.306 -10.226
  779   2HB   TYR  93          1HB       TYR  93   8.488  -4.572 -11.368
  780    HD1  TYR  93           HD2      TYR  93   5.432  -3.578 -11.211
  781    HD2  TYR  93           HD1      TYR  93   9.193  -1.730 -12.134
  782    HE1  TYR  93           HE2      TYR  93   4.270  -1.925 -12.608
  783    HE2  TYR  93           HE1      TYR  93   8.032  -0.074 -13.536
  784    HH   TYR  93           HH       TYR  93   5.157  -0.380 -14.771
  785    H    ALA  94           H        ALA  94   6.101  -6.246  -8.377
  786    HA   ALA  94           HA       ALA  94   8.721  -7.143  -7.364
  787   1HB   ALA  94          2HB       ALA  94   6.770  -6.277  -5.805
  788   2HB   ALA  94          1HB       ALA  94   6.161  -7.916  -6.024
  789   3HB   ALA  94          3HB       ALA  94   7.756  -7.654  -5.318
  790    H    ASP  95           H        ASP  95   9.402  -9.018  -8.174
  791    HA   ASP  95           HA       ASP  95   9.432 -11.217  -8.965
  792   1HB   ASP  95          2HB       ASP  95   7.723 -11.557  -7.102
  793   2HB   ASP  95          1HB       ASP  95   6.475 -11.365  -8.332
  794    H    GLY  96           H        GLY  96   6.155 -10.034  -9.879
  795   1HA   GLY  96          2HA       GLY  96   6.382 -11.073 -12.563
  796   2HA   GLY  96          1HA       GLY  96   5.121  -9.986 -11.985
  797    H    LYS  97           H        LYS  97   7.443  -8.113 -11.072
  798    HA   LYS  97           HA       LYS  97   8.740  -6.373 -11.971
  799   1HB   LYS  97          2HB       LYS  97   8.927  -8.397 -13.970
  800   2HB   LYS  97          1HB       LYS  97   8.633  -6.864 -14.789
  801   1HG   LYS  97          2HG       LYS  97  10.957  -6.849 -14.579
  802   2HG   LYS  97          1HG       LYS  97  10.462  -5.951 -13.145
  803   1HD   LYS  97          2HD       LYS  97  10.764  -7.850 -11.729
  804   2HD   LYS  97          1HD       LYS  97  10.902  -8.942 -13.108
  805   1HE   LYS  97          2HE       LYS  97  12.982  -7.725 -13.797
  806   2HE   LYS  97          1HE       LYS  97  12.871  -6.777 -12.315
  807   1HZ   LYS  97          1HZ       LYS  97  12.930  -8.880 -11.061
  808   2HZ   LYS  97          3HZ       LYS  97  13.171  -9.726 -12.513
  809   3HZ   LYS  97          2HZ       LYS  97  14.341  -8.619 -11.971
  810    H    MET  98           H        MET  98   5.534  -7.040 -12.779
  811    HA   MET  98           HA       MET  98   4.943  -4.240 -13.248
  812   1HB   MET  98          2HB       MET  98   5.746  -5.419 -15.517
  813   2HB   MET  98          1HB       MET  98   4.060  -5.938 -15.541
  814   1HG   MET  98          2HG       MET  98   3.269  -3.813 -15.867
  815   2HG   MET  98          1HG       MET  98   4.537  -3.079 -14.885
  816   1HE   MET  98          3HE       MET  98   7.023  -3.274 -15.546
  817   2HE   MET  98          2HE       MET  98   7.467  -2.494 -17.063
  818   3HE   MET  98          1HE       MET  98   6.387  -1.671 -15.941
  819    H    VAL  99           H        VAL  99   4.147  -6.578 -11.522
  820    HA   VAL  99           HA       VAL  99   2.251  -7.541 -10.596
  821    HB   VAL  99           HB       VAL  99   1.906  -4.857 -10.709
  822   1HG1  VAL  99          2HG1      VAL  99   0.388  -5.581 -12.869
  823   2HG1  VAL  99          1HG1      VAL  99  -0.813  -5.638 -11.582
  824   3HG1  VAL  99          3HG1      VAL  99   0.084  -4.151 -11.887
  825   1HG2  VAL  99          1HG2      VAL  99   0.193  -7.083  -9.628
  826   2HG2  VAL  99          3HG2      VAL  99   1.284  -6.002  -8.763
  827   3HG2  VAL  99          2HG2      VAL  99  -0.263  -5.401  -9.359
  828    H    ASN 100           H        ASN 100   2.832  -7.972 -13.620
  829    HA   ASN 100           HA       ASN 100   0.185  -8.516 -14.747
  830   1HB   ASN 100          2HB       ASN 100   3.005  -8.675 -15.664
  831   2HB   ASN 100          1HB       ASN 100   1.888  -9.818 -16.406
  832   1HD2  ASN 100          2HD2      ASN 100   1.184  -5.794 -16.967
  833   2HD2  ASN 100          1HD2      ASN 100   1.979  -6.298 -15.555
  834    H    GLU 101           H        GLU 101   2.484 -10.242 -12.795
  835    HA   GLU 101           HA       GLU 101   2.077 -12.926 -13.491
  836   1HB   GLU 101          2HB       GLU 101   2.543 -11.564 -10.843
  837   2HB   GLU 101          1HB       GLU 101   2.313 -13.311 -10.921
  838   1HG   GLU 101          2HG       GLU 101   4.265 -12.049 -12.810
  839   2HG   GLU 101          1HG       GLU 101   4.739 -12.252 -11.125
  840    H    ALA 102           H        ALA 102   0.010 -10.849 -11.456
  841    HA   ALA 102           HA       ALA 102  -1.896 -12.945 -10.839
  842   1HB   ALA 102          1HB       ALA 102  -1.573 -10.828  -9.500
  843   2HB   ALA 102          3HB       ALA 102  -2.363  -9.950 -10.810
  844   3HB   ALA 102          2HB       ALA 102  -3.253 -11.175  -9.907
  845    H    LEU 103           HN       LEU 103  -3.466 -13.730 -12.157
  846    HA   LEU 103           HA       LEU 103  -3.903 -12.484 -14.789
  847   1HB   LEU 103          2HB       LEU 103  -4.267 -15.122 -13.607
  848   2HB   LEU 103          1HB       LEU 103  -5.701 -14.619 -14.498
  849    HG   LEU 103           HG       LEU 103  -4.114 -15.809 -15.967
  850   1HD1  LEU 103          1HD1      LEU 103  -5.540 -13.769 -16.706
  851   2HD1  LEU 103          3HD1      LEU 103  -4.009 -12.896 -16.736
  852   3HD1  LEU 103          2HD1      LEU 103  -4.242 -14.302 -17.774
  853   1HD2  LEU 103          2HD2      LEU 103  -2.080 -15.021 -14.633
  854   2HD2  LEU 103          1HD2      LEU 103  -1.904 -14.990 -16.387
  855   3HD2  LEU 103          3HD2      LEU 103  -2.217 -13.495 -15.506
   
  No H/Q in entry =         855
  Start of MODEL           4
 Raw file had  866 H/Q atoms
  Start of MODEL    4
    1   1H    ALA   1          2H        ALA   1  15.955  12.468 -10.971
    2   2H    ALA   1          1H        ALA   1  14.949  13.437 -10.004
    3   3H    ALA   1          3H        ALA   1  15.115  11.784  -9.663
    4    HA   ALA   1           HA       ALA   1  14.046  11.207 -11.747
    5   1HB   ALA   1          2HB       ALA   1  12.694  11.557  -9.672
    6   2HB   ALA   1          1HB       ALA   1  12.440  13.233 -10.160
    7   3HB   ALA   1          3HB       ALA   1  11.795  11.920 -11.144
    8    H    THR   2           H        THR   2  13.520  11.824 -13.816
    9    HA   THR   2           HA       THR   2  14.323  14.485 -14.721
   10    HB   THR   2           HB       THR   2  13.523  13.621 -16.968
   11    HG1  THR   2           HG1      THR   2  12.076  12.099 -16.618
   12   1HG2  THR   2          1HG2      THR   2  15.447  11.873 -15.411
   13   2HG2  THR   2          3HG2      THR   2  15.337  11.957 -17.169
   14   3HG2  THR   2          2HG2      THR   2  15.857  13.369 -16.250
   15    H    SER   3           H        SER   3  12.737  15.664 -16.286
   16    HA   SER   3           HA       SER   3  10.149  15.960 -14.859
   17   1HB   SER   3          2HB       SER   3  11.706  17.773 -16.708
   18   2HB   SER   3          1HB       SER   3  10.037  18.108 -16.259
   19    HG   SER   3           HG       SER   3  12.368  18.217 -14.754
   20    H    THR   4           H        THR   4  10.593  13.739 -16.703
   21    HA   THR   4           HA       THR   4   8.269  14.171 -18.447
   22    HB   THR   4           HB       THR   4  10.209  15.004 -19.790
   23    HG1  THR   4           HG1      THR   4   9.322  14.154 -21.495
   24   1HG2  THR   4          2HG2      THR   4  11.854  13.390 -18.727
   25   2HG2  THR   4          1HG2      THR   4  11.163  12.131 -19.750
   26   3HG2  THR   4          3HG2      THR   4  11.964  13.522 -20.481
   27    H    LYS   5           H        LYS   5   9.052  12.406 -16.161
   28    HA   LYS   5           HA       LYS   5   9.146   9.732 -17.442
   29   1HB   LYS   5          2HB       LYS   5  10.382  10.688 -15.201
   30   2HB   LYS   5          1HB       LYS   5   8.972   9.897 -14.499
   31   1HG   LYS   5          2HG       LYS   5  10.117   7.959 -14.695
   32   2HG   LYS   5          1HG       LYS   5   9.852   8.092 -16.434
   33   1HD   LYS   5          2HD       LYS   5  12.214   7.834 -16.141
   34   2HD   LYS   5          1HD       LYS   5  11.951   9.536 -16.518
   35   1HE   LYS   5          2HE       LYS   5  12.034  10.091 -14.118
   36   2HE   LYS   5          1HE       LYS   5  12.278   8.389 -13.728
   37   1HZ   LYS   5          3HZ       LYS   5  14.324   8.429 -15.020
   38   2HZ   LYS   5          2HZ       LYS   5  14.089  10.073 -15.373
   39   3HZ   LYS   5          1HZ       LYS   5  14.373   9.577 -13.775
   40    H    LYS   6           H        LYS   6   7.732   8.285 -15.463
   41    HA   LYS   6           HA       LYS   6   5.126   9.202 -14.830
   42   1HB   LYS   6          2HB       LYS   6   3.753   8.274 -16.613
   43   2HB   LYS   6          1HB       LYS   6   4.902   9.402 -17.324
   44   1HG   LYS   6          2HG       LYS   6   5.328   6.399 -17.196
   45   2HG   LYS   6          1HG       LYS   6   4.690   7.249 -18.602
   46   1HD   LYS   6          2HD       LYS   6   6.866   8.738 -18.267
   47   2HD   LYS   6          1HD       LYS   6   7.458   7.288 -17.456
   48   1HE   LYS   6          2HE       LYS   6   8.056   6.680 -19.579
   49   2HE   LYS   6          1HE       LYS   6   6.371   6.172 -19.682
   50   1HZ   LYS   6          3HZ       LYS   6   5.817   8.355 -20.580
   51   2HZ   LYS   6          2HZ       LYS   6   7.453   8.812 -20.514
   52   3HZ   LYS   6          1HZ       LYS   6   6.958   7.562 -21.553
   53    H    LEU   7           H        LEU   7   7.226   6.526 -15.728
   54    HA   LEU   7           HA       LEU   7   6.065   4.895 -13.568
   55   1HB   LEU   7          2HB       LEU   7   6.017   4.165 -16.498
   56   2HB   LEU   7          1HB       LEU   7   6.097   2.908 -15.276
   57    HG   LEU   7           HG       LEU   7   3.939   5.028 -15.524
   58   1HD1  LEU   7          2HD1      LEU   7   3.835   3.152 -17.168
   59   2HD1  LEU   7          1HD1      LEU   7   3.799   2.013 -15.822
   60   3HD1  LEU   7          3HD1      LEU   7   2.472   3.153 -16.050
   61   1HD2  LEU   7          1HD2      LEU   7   4.473   4.406 -13.144
   62   2HD2  LEU   7          3HD2      LEU   7   2.847   3.938 -13.639
   63   3HD2  LEU   7          2HD2      LEU   7   4.123   2.726 -13.551
   64    H    HIS   8           H        HIS   8   8.086   5.154 -12.522
   65    HA   HIS   8           HA       HIS   8  10.548   4.291 -13.929
   66   1HB   HIS   8          2HB       HIS   8  10.118   6.387 -12.275
   67   2HB   HIS   8          1HB       HIS   8  10.648   5.190 -11.095
   68    HD1  HIS   8           HD1      HIS   8  11.849   5.853 -14.665
   69    HD2  HIS   8           HD2      HIS   8  13.350   5.655 -10.779
   70    HE1  HIS   8           HE1      HIS   8  14.357   6.157 -14.848
   71    H    LYS   9           H        LYS   9  11.817   3.505 -11.302
   72    HA   LYS   9           HA       LYS   9  10.409   1.274 -10.172
   73   1HB   LYS   9          2HB       LYS   9  11.973  -0.488 -11.238
   74   2HB   LYS   9          1HB       LYS   9  10.634   0.105 -12.219
   75   1HG   LYS   9          2HG       LYS   9  12.139   1.699 -13.335
   76   2HG   LYS   9          1HG       LYS   9  13.482   1.151 -12.333
   77   1HD   LYS   9          2HD       LYS   9  13.905  -0.363 -13.956
   78   2HD   LYS   9          1HD       LYS   9  12.460  -1.207 -13.403
   79   1HE   LYS   9          2HE       LYS   9  11.917  -0.904 -15.635
   80   2HE   LYS   9          1HE       LYS   9  11.235   0.570 -14.949
   81   1HZ   LYS   9          1HZ       LYS   9  13.936   0.320 -16.160
   82   2HZ   LYS   9          3HZ       LYS   9  12.588   1.035 -16.899
   83   3HZ   LYS   9          2HZ       LYS   9  13.267   1.740 -15.511
   84    H    GLU  10           H        GLU  10  11.473   0.584  -8.333
   85    HA   GLU  10           HA       GLU  10  14.364   0.791  -8.021
   86   1HB   GLU  10          2HB       GLU  10  12.558   2.896  -6.982
   87   2HB   GLU  10          1HB       GLU  10  13.689   2.245  -5.798
   88   1HG   GLU  10          2HG       GLU  10  14.431   3.375  -8.516
   89   2HG   GLU  10          1HG       GLU  10  14.667   4.181  -6.969
   90    HA   PRO  11           HA       PRO  11  13.122  -2.770  -5.706
   91   1HB   PRO  11          2HB       PRO  11  15.642  -2.584  -4.254
   92   2HB   PRO  11          1HB       PRO  11  15.094  -3.818  -5.399
   93   1HG   PRO  11          2HG       PRO  11  17.031  -1.816  -5.896
   94   2HG   PRO  11          1HG       PRO  11  16.292  -2.888  -7.090
   95   1HD   PRO  11          2HD       PRO  11  15.874  -0.035  -6.737
   96   2HD   PRO  11          1HD       PRO  11  15.228  -1.094  -8.006
   97    H    ALA  12           H        ALA  12  12.127  -3.069  -3.799
   98    HA   ALA  12           HA       ALA  12  12.461  -1.029  -1.641
   99   1HB   ALA  12          3HB       ALA  12  10.301  -0.962  -3.068
  100   2HB   ALA  12          2HB       ALA  12   9.865  -2.446  -2.222
  101   3HB   ALA  12          1HB       ALA  12  10.125  -0.956  -1.314
  102    H    THR  13           H        THR  13  10.806  -2.308   0.265
  103    HA   THR  13           HA       THR  13  11.952  -5.041   0.539
  104    HB   THR  13           HB       THR  13  13.405  -3.622   1.883
  105    HG1  THR  13           HG1      THR  13  13.147  -5.390   3.032
  106   1HG2  THR  13          2HG2      THR  13  11.376  -1.898   2.105
  107   2HG2  THR  13          1HG2      THR  13  11.169  -2.734   3.644
  108   3HG2  THR  13          3HG2      THR  13  12.696  -1.933   3.273
  109    H    LEU  14           H        LEU  14  10.120  -6.191   0.372
  110    HA   LEU  14           HA       LEU  14   7.498  -5.693   0.688
  111   1HB   LEU  14          2HB       LEU  14   8.568  -7.927   0.220
  112   2HB   LEU  14          1HB       LEU  14   8.752  -8.135   1.959
  113    HG   LEU  14           HG       LEU  14   6.073  -7.455   0.779
  114   1HD1  LEU  14          3HD1      LEU  14   7.592  -9.969   0.522
  115   2HD1  LEU  14          2HD1      LEU  14   5.977 -10.170   1.204
  116   3HD1  LEU  14          1HD1      LEU  14   6.179  -9.411  -0.375
  117   1HD2  LEU  14          1HD2      LEU  14   7.191  -8.444   3.359
  118   2HD2  LEU  14          3HD2      LEU  14   5.824  -7.368   3.067
  119   3HD2  LEU  14          2HD2      LEU  14   5.633  -9.111   2.871
  120    H    ILE  15           H        ILE  15   6.396  -4.546   2.217
  121    HA   ILE  15           HA       ILE  15   7.181  -4.928   5.072
  122    HB   ILE  15           HB       ILE  15   5.561  -2.738   3.730
  123   1HG1  ILE  15          2HG1      ILE  15   8.243  -2.756   5.153
  124   2HG1  ILE  15          1HG1      ILE  15   7.983  -2.525   3.425
  125   1HG2  ILE  15          3HG2      ILE  15   6.209  -3.171   6.663
  126   2HG2  ILE  15          2HG2      ILE  15   5.488  -1.707   5.998
  127   3HG2  ILE  15          1HG2      ILE  15   4.606  -3.230   5.932
  128   1HD1  ILE  15          1HD1      ILE  15   6.596  -0.497   3.974
  129   2HD1  ILE  15          3HD1      ILE  15   7.074  -0.690   5.660
  130   3HD1  ILE  15          2HD1      ILE  15   8.291  -0.343   4.433
  131    H    LYS  16           H        LYS  16   4.095  -4.195   3.393
  132    HA   LYS  16           HA       LYS  16   2.802  -6.657   4.037
  133   1HB   LYS  16          2HB       LYS  16   3.067  -4.924   6.270
  134   2HB   LYS  16          1HB       LYS  16   1.380  -4.837   5.763
  135   1HG   LYS  16          2HG       LYS  16   1.743  -7.501   5.575
  136   2HG   LYS  16          1HG       LYS  16   2.915  -7.146   6.844
  137   1HD   LYS  16          2HD       LYS  16   0.385  -5.741   7.255
  138   2HD   LYS  16          1HD       LYS  16   0.177  -7.492   7.206
  139   1HE   LYS  16          2HE       LYS  16   2.412  -6.306   8.832
  140   2HE   LYS  16          1HE       LYS  16   0.774  -6.331   9.485
  141   1HZ   LYS  16          2HZ       LYS  16   0.714  -8.736   9.029
  142   2HZ   LYS  16          1HZ       LYS  16   2.340  -8.671   8.540
  143   3HZ   LYS  16          3HZ       LYS  16   1.924  -8.312  10.144
  144    H    ALA  17           H        ALA  17   0.999  -6.765   2.760
  145    HA   ALA  17           HA       ALA  17   0.200  -4.385   1.243
  146   1HB   ALA  17          2HB       ALA  17  -0.534  -7.301   1.196
  147   2HB   ALA  17          1HB       ALA  17  -1.574  -6.133   0.382
  148   3HB   ALA  17          3HB       ALA  17   0.114  -6.295  -0.101
  149    H    ILE  18           H        ILE  18  -1.174  -2.955   2.059
  150    HA   ILE  18           HA       ILE  18  -2.759  -3.293   4.395
  151    HB   ILE  18           HB       ILE  18  -2.741  -1.342   2.102
  152   1HG1  ILE  18          2HG1      ILE  18  -2.516  -0.020   4.544
  153   2HG1  ILE  18          1HG1      ILE  18  -1.666  -1.540   4.818
  154   1HG2  ILE  18          1HG2      ILE  18  -4.774  -1.528   4.339
  155   2HG2  ILE  18          3HG2      ILE  18  -4.424  -0.005   3.519
  156   3HG2  ILE  18          2HG2      ILE  18  -5.074  -1.369   2.608
  157   1HD1  ILE  18          1HD1      ILE  18  -1.177   0.225   2.405
  158   2HD1  ILE  18          3HD1      ILE  18  -0.223   0.320   3.885
  159   3HD1  ILE  18          2HD1      ILE  18  -0.220  -1.160   2.929
  160    H    ASP  19           H        ASP  19  -3.885  -3.100   0.992
  161    HA   ASP  19           HA       ASP  19  -5.666  -5.348   1.230
  162   1HB   ASP  19          2HB       ASP  19  -6.700  -3.132   2.463
  163   2HB   ASP  19          1HB       ASP  19  -7.306  -2.912   0.823
  164    H    GLY  20           H        GLY  20  -7.558  -4.486  -0.752
  165   1HA   GLY  20          2HA       GLY  20  -5.810  -4.491  -3.124
  166   2HA   GLY  20          1HA       GLY  20  -7.565  -4.683  -3.130
  167    H    ASP  21           H        ASP  21  -5.592  -2.094  -1.677
  168    HA   ASP  21           HA       ASP  21  -6.588  -0.133  -3.661
  169   1HB   ASP  21          2HB       ASP  21  -6.864   0.535  -0.736
  170   2HB   ASP  21          1HB       ASP  21  -7.689   1.254  -2.113
  171    H    THR  22           H        THR  22  -4.839  -0.492  -0.564
  172    HA   THR  22           HA       THR  22  -2.699   1.297  -1.652
  173    HB   THR  22           HB       THR  22  -3.383   0.924   1.266
  174    HG1  THR  22           HG1      THR  22  -5.111   2.003   0.763
  175   1HG2  THR  22          3HG2      THR  22  -1.566   2.676  -0.320
  176   2HG2  THR  22          2HG2      THR  22  -2.304   3.348   1.134
  177   3HG2  THR  22          1HG2      THR  22  -1.299   1.903   1.243
  178    H    VAL  23           H        VAL  23  -0.509   0.822  -0.612
  179    HA   VAL  23           HA       VAL  23  -0.185  -1.942   0.414
  180    HB   VAL  23           HB       VAL  23   1.918  -1.965  -1.242
  181   1HG1  VAL  23          1HG1      VAL  23   0.106  -3.659  -1.063
  182   2HG1  VAL  23          3HG1      VAL  23  -0.903  -2.661  -2.110
  183   3HG1  VAL  23          2HG1      VAL  23   0.586  -3.370  -2.735
  184   1HG2  VAL  23          3HG2      VAL  23   1.039   0.331  -2.130
  185   2HG2  VAL  23          2HG2      VAL  23   1.567  -0.879  -3.298
  186   3HG2  VAL  23          1HG2      VAL  23  -0.153  -0.644  -2.989
  187    H    LYS  24           H        LYS  24   1.862  -2.245   1.575
  188    HA   LYS  24           HA       LYS  24   3.096   0.366   2.343
  189   1HB   LYS  24          2HB       LYS  24   1.894  -1.492   3.983
  190   2HB   LYS  24          1HB       LYS  24   3.599  -1.928   4.112
  191   1HG   LYS  24          2HG       LYS  24   4.170   0.397   4.663
  192   2HG   LYS  24          1HG       LYS  24   2.476   0.860   4.500
  193   1HD   LYS  24          2HD       LYS  24   1.926   0.026   6.540
  194   2HD   LYS  24          1HD       LYS  24   2.912  -1.419   6.313
  195   1HE   LYS  24          2HE       LYS  24   4.058  -0.331   8.033
  196   2HE   LYS  24          1HE       LYS  24   4.926   0.240   6.608
  197   1HZ   LYS  24          1HZ       LYS  24   2.688   1.685   7.923
  198   2HZ   LYS  24          3HZ       LYS  24   4.331   2.041   8.141
  199   3HZ   LYS  24          2HZ       LYS  24   3.615   2.241   6.613
  200    H    LEU  25           H        LEU  25   5.225   0.641   1.899
  201    HA   LEU  25           HA       LEU  25   6.996  -1.700   1.588
  202   1HB   LEU  25          2HB       LEU  25   5.768  -0.431  -0.640
  203   2HB   LEU  25          1HB       LEU  25   7.461   0.047  -0.656
  204    HG   LEU  25           HG       LEU  25   7.329  -1.964  -1.932
  205   1HD1  LEU  25          3HD1      LEU  25   9.043  -1.768   0.050
  206   2HD1  LEU  25          2HD1      LEU  25   8.107  -3.100   0.727
  207   3HD1  LEU  25          1HD1      LEU  25   8.895  -3.283  -0.840
  208   1HD2  LEU  25          2HD2      LEU  25   5.045  -2.517  -0.730
  209   2HD2  LEU  25          1HD2      LEU  25   6.024  -3.812  -1.417
  210   3HD2  LEU  25          3HD2      LEU  25   6.075  -3.495   0.316
  211    H    MET  26           H        MET  26   9.144  -1.198   2.032
  212    HA   MET  26           HA       MET  26   9.710   1.626   2.820
  213   1HB   MET  26          2HB       MET  26  10.324  -0.922   4.007
  214   2HB   MET  26          1HB       MET  26  11.838  -0.129   3.571
  215   1HG   MET  26          2HG       MET  26  11.092   1.914   4.754
  216   2HG   MET  26          1HG       MET  26   9.609   1.087   5.224
  217   1HE   MET  26          3HE       MET  26  13.172   1.174   4.961
  218   2HE   MET  26          2HE       MET  26  13.580   1.413   6.657
  219   3HE   MET  26          1HE       MET  26  13.820  -0.166   5.916
  220    H    TYR  27           H        TYR  27   9.772   1.812   0.324
  221    HA   TYR  27           HA       TYR  27  12.103   0.707  -1.030
  222   1HB   TYR  27          2HB       TYR  27  11.238   1.650  -2.978
  223   2HB   TYR  27          1HB       TYR  27   9.777   1.410  -2.020
  224    HD1  TYR  27           HD2      TYR  27   8.871   3.355  -0.664
  225    HD2  TYR  27           HD1      TYR  27  11.927   3.825  -3.638
  226    HE1  TYR  27           HE2      TYR  27   8.422   5.788  -0.735
  227    HE2  TYR  27           HE1      TYR  27  11.485   6.259  -3.711
  228    HH   TYR  27           HH       TYR  27   9.124   7.780  -1.529
  229    H    LYS  28           H        LYS  28  11.278   3.906   0.355
  230    HA   LYS  28           HA       LYS  28  13.998   4.829  -0.381
  231   1HB   LYS  28          2HB       LYS  28  13.213   7.095  -0.025
  232   2HB   LYS  28          1HB       LYS  28  12.072   6.260  -1.071
  233   1HG   LYS  28          2HG       LYS  28  10.396   6.383   0.459
  234   2HG   LYS  28          1HG       LYS  28  11.471   5.997   1.802
  235   1HD   LYS  28          2HD       LYS  28  10.732   8.255   2.150
  236   2HD   LYS  28          1HD       LYS  28  12.402   8.353   1.591
  237   1HE   LYS  28          2HE       LYS  28  11.353   8.547  -0.786
  238   2HE   LYS  28          1HE       LYS  28   9.869   8.955   0.074
  239   1HZ   LYS  28          1HZ       LYS  28  11.085  10.722   1.220
  240   2HZ   LYS  28          3HZ       LYS  28  12.478  10.350   0.326
  241   3HZ   LYS  28          2HZ       LYS  28  11.096  10.941  -0.465
  242    H    GLY  29           H        GLY  29  13.536   2.972   1.802
  243   1HA   GLY  29          2HA       GLY  29  14.621   2.695   3.868
  244   2HA   GLY  29          1HA       GLY  29  15.040   4.406   3.841
  245    H    GLN  30           H        GLN  30  11.732   4.170   3.255
  246    HA   GLN  30           HA       GLN  30  11.029   4.067   6.131
  247   1HB   GLN  30          2HB       GLN  30   9.787   6.202   6.004
  248   2HB   GLN  30          1HB       GLN  30  11.510   6.434   5.725
  249   1HG   GLN  30          2HG       GLN  30  11.099   7.321   3.703
  250   2HG   GLN  30          1HG       GLN  30  10.218   5.874   3.214
  251   1HE2  GLN  30          2HE2      GLN  30   7.012   7.299   3.799
  252   2HE2  GLN  30          1HE2      GLN  30   7.870   5.868   3.486
  253    HA   PRO  31           HA       PRO  31   7.564   1.867   4.577
  254   1HB   PRO  31          2HB       PRO  31   5.971   2.480   6.873
  255   2HB   PRO  31          1HB       PRO  31   6.903   1.008   6.572
  256   1HG   PRO  31          2HG       PRO  31   7.483   3.120   8.459
  257   2HG   PRO  31          1HG       PRO  31   8.385   1.623   8.188
  258   1HD   PRO  31          2HD       PRO  31   9.133   4.301   7.420
  259   2HD   PRO  31          1HD       PRO  31  10.038   2.797   7.157
  260    H    MET  32           H        MET  32   6.044   2.598   3.152
  261    HA   MET  32           HA       MET  32   4.559   5.093   3.797
  262   1HB   MET  32          2HB       MET  32   4.751   5.084   1.012
  263   2HB   MET  32          1HB       MET  32   5.554   6.192   2.114
  264   1HG   MET  32          2HG       MET  32   7.502   5.394   1.312
  265   2HG   MET  32          1HG       MET  32   7.153   3.886   2.151
  266   1HE   MET  32          2HE       MET  32   5.266   2.555   1.412
  267   2HE   MET  32          1HE       MET  32   4.374   2.884  -0.068
  268   3HE   MET  32          3HE       MET  32   5.578   1.590  -0.022
  269    H    THR  33           H        THR  33   2.813   5.243   1.763
  270    HA   THR  33           HA       THR  33   1.454   2.590   1.757
  271    HB   THR  33           HB       THR  33  -0.678   4.091   1.602
  272    HG1  THR  33           HG1      THR  33  -0.387   6.083   2.661
  273   1HG2  THR  33          3HG2      THR  33   0.942   3.854   4.150
  274   2HG2  THR  33          2HG2      THR  33  -0.789   4.188   4.078
  275   3HG2  THR  33          1HG2      THR  33  -0.165   2.642   3.503
  276    H    PHE  34           H        PHE  34   2.572   2.243  -0.248
  277    HA   PHE  34           HA       PHE  34   2.460   3.858  -2.569
  278   1HB   PHE  34          2HB       PHE  34   2.895   0.975  -1.972
  279   2HB   PHE  34          1HB       PHE  34   2.559   1.410  -3.644
  280    HD1  PHE  34           HD2      PHE  34   3.855   3.975  -3.997
  281    HD2  PHE  34           HD1      PHE  34   5.163   0.569  -1.754
  282    HE1  PHE  34           HE2      PHE  34   6.212   4.684  -4.311
  283    HE2  PHE  34           HE1      PHE  34   7.525   1.270  -2.064
  284    HZ   PHE  34           HZ       PHE  34   8.048   3.331  -3.341
  285    H    ARG  35           H        ARG  35   1.159   3.490  -4.561
  286    HA   ARG  35           HA       ARG  35  -1.651   2.999  -3.867
  287   1HB   ARG  35          2HB       ARG  35  -2.236   4.180  -5.770
  288   2HB   ARG  35          1HB       ARG  35  -0.734   4.963  -5.315
  289   1HG   ARG  35          2HG       ARG  35   0.375   3.233  -6.934
  290   2HG   ARG  35          1HG       ARG  35  -1.256   3.047  -7.582
  291   1HD   ARG  35          2HD       ARG  35  -0.708   5.838  -7.247
  292   2HD   ARG  35          1HD       ARG  35   0.622   5.115  -8.140
  293    HE   ARG  35           HE       ARG  35  -1.827   5.785  -9.283
  294   1HH1  ARG  35          1HH2      ARG  35   0.579   4.053 -10.398
  295   2HH1  ARG  35          2HH2      ARG  35  -0.328   2.758 -11.106
  296   1HH2  ARG  35          2HH1      ARG  35  -3.292   3.606  -9.509
  297   2HH2  ARG  35          1HH1      ARG  35  -2.529   2.517 -10.610
  298    H    LEU  36           H        LEU  36  -2.342   0.951  -3.954
  299    HA   LEU  36           HA       LEU  36  -1.056  -1.136  -5.529
  300   1HB   LEU  36          2HB       LEU  36  -2.466  -1.491  -3.414
  301   2HB   LEU  36          1HB       LEU  36  -3.884  -1.184  -4.415
  302    HG   LEU  36           HG       LEU  36  -1.977  -3.153  -5.529
  303   1HD1  LEU  36          3HD1      LEU  36  -3.311  -3.504  -2.869
  304   2HD1  LEU  36          2HD1      LEU  36  -3.211  -4.890  -3.953
  305   3HD1  LEU  36          1HD1      LEU  36  -1.739  -4.084  -3.414
  306   1HD2  LEU  36          1HD2      LEU  36  -4.247  -2.540  -6.460
  307   2HD2  LEU  36          3HD2      LEU  36  -4.033  -4.264  -6.162
  308   3HD2  LEU  36          2HD2      LEU  36  -4.966  -3.284  -5.032
  309    H    LEU  37           H        LEU  37  -3.708   1.069  -5.850
  310    HA   LEU  37           HA       LEU  37  -3.750   0.908  -8.754
  311   1HB   LEU  37          2HB       LEU  37  -5.320  -0.975  -7.705
  312   2HB   LEU  37          1HB       LEU  37  -6.408   0.388  -7.446
  313    HG   LEU  37           HG       LEU  37  -5.432   0.687 -10.075
  314   1HD1  LEU  37          3HD1      LEU  37  -4.717  -1.706  -9.907
  315   2HD1  LEU  37          2HD1      LEU  37  -6.390  -2.146  -9.568
  316   3HD1  LEU  37          1HD1      LEU  37  -5.961  -1.447 -11.128
  317   1HD2  LEU  37          1HD2      LEU  37  -7.711   1.191  -9.065
  318   2HD2  LEU  37          3HD2      LEU  37  -7.752   0.449 -10.664
  319   3HD2  LEU  37          2HD2      LEU  37  -8.077  -0.526  -9.232
  320    H    LEU  38           H        LEU  38  -3.244   2.751  -6.495
  321    HA   LEU  38           HA       LEU  38  -3.742   4.849  -5.683
  322   1HB   LEU  38          2HB       LEU  38  -3.811   6.439  -7.309
  323   2HB   LEU  38          1HB       LEU  38  -3.346   5.053  -8.280
  324    HG   LEU  38           HG       LEU  38  -6.184   5.030  -8.190
  325   1HD1  LEU  38          1HD1      LEU  38  -5.824   7.471  -7.473
  326   2HD1  LEU  38          3HD1      LEU  38  -5.177   7.735  -9.093
  327   3HD1  LEU  38          2HD1      LEU  38  -6.849   7.209  -8.884
  328   1HD2  LEU  38          3HD2      LEU  38  -4.065   5.620 -10.244
  329   2HD2  LEU  38          2HD2      LEU  38  -5.141   4.230 -10.131
  330   3HD2  LEU  38          1HD2      LEU  38  -5.768   5.788 -10.666
  331    H    VAL  39           H        VAL  39  -5.758   2.741  -5.353
  332    HA   VAL  39           HA       VAL  39  -8.408   3.848  -5.596
  333    HB   VAL  39           HB       VAL  39  -7.328   1.732  -3.701
  334   1HG1  VAL  39          2HG1      VAL  39 -10.055   2.815  -4.267
  335   2HG1  VAL  39          1HG1      VAL  39  -9.910   1.072  -4.050
  336   3HG1  VAL  39          3HG1      VAL  39  -9.395   2.165  -2.767
  337   1HG2  VAL  39          2HG2      VAL  39  -7.540   1.682  -6.489
  338   2HG2  VAL  39          1HG2      VAL  39  -7.402   0.279  -5.432
  339   3HG2  VAL  39          3HG2      VAL  39  -8.992   0.851  -5.934
  340    H    ASP  40           H        ASP  40  -8.528   5.912  -4.708
  341    HA   ASP  40           HA       ASP  40  -8.514   6.063  -1.756
  342   1HB   ASP  40          2HB       ASP  40  -6.196   6.718  -2.765
  343   2HB   ASP  40          1HB       ASP  40  -7.017   8.186  -3.294
  344    H    THR  41           H        THR  41 -10.751   6.080  -3.384
  345    HA   THR  41           HA       THR  41 -11.656   8.908  -3.161
  346    HB   THR  41           HB       THR  41 -11.752   7.057  -5.510
  347    HG1  THR  41           HG1      THR  41 -10.423   8.753  -5.734
  348   1HG2  THR  41          3HG2      THR  41 -13.968   8.917  -4.671
  349   2HG2  THR  41          2HG2      THR  41 -13.668   8.563  -6.373
  350   3HG2  THR  41          1HG2      THR  41 -14.084   7.258  -5.260
  351    HA   PRO  42           HA       PRO  42 -14.625   6.701  -0.621
  352   1HB   PRO  42          2HB       PRO  42 -16.005   9.167  -0.164
  353   2HB   PRO  42          1HB       PRO  42 -14.881   8.342   0.925
  354   1HG   PRO  42          2HG       PRO  42 -14.437  10.778  -0.568
  355   2HG   PRO  42          1HG       PRO  42 -13.335   9.972   0.556
  356   1HD   PRO  42          2HD       PRO  42 -13.158  10.083  -2.323
  357   2HD   PRO  42          1HD       PRO  42 -12.046   9.287  -1.189
  358    H    GLU  43           H        GLU  43 -17.002   6.379  -0.729
  359    HA   GLU  43           HA       GLU  43 -18.308   7.446  -3.179
  360   1HB   GLU  43          2HB       GLU  43 -17.986   5.408  -4.138
  361   2HB   GLU  43          1HB       GLU  43 -17.562   4.655  -2.604
  362   1HG   GLU  43          2HG       GLU  43 -19.786   4.156  -2.082
  363   2HG   GLU  43          1HG       GLU  43 -20.422   5.403  -3.154
  364    H    THR  44           H        THR  44 -20.275   8.254  -2.670
  365    HA   THR  44           HA       THR  44 -21.384   7.849   0.013
  366    HB   THR  44           HB       THR  44 -21.448  10.064  -1.197
  367    HG1  THR  44           HG1      THR  44 -22.894  10.097   0.349
  368   1HG2  THR  44          2HG2      THR  44 -22.079   8.950  -3.421
  369   2HG2  THR  44          1HG2      THR  44 -23.721   8.862  -2.783
  370   3HG2  THR  44          3HG2      THR  44 -22.945  10.430  -3.006
  371    H    LYS  45           H        LYS  45 -23.314   6.758   0.510
  372    HA   LYS  45           HA       LYS  45 -24.854   5.454  -1.647
  373   1HB   LYS  45          2HB       LYS  45 -22.918   4.043   0.087
  374   2HB   LYS  45          1HB       LYS  45 -24.511   3.292  -0.005
  375   1HG   LYS  45          2HG       LYS  45 -24.274   3.644  -2.577
  376   2HG   LYS  45          1HG       LYS  45 -22.555   3.837  -2.230
  377   1HD   LYS  45          2HD       LYS  45 -22.730   1.629  -0.931
  378   2HD   LYS  45          1HD       LYS  45 -24.296   1.423  -1.716
  379   1HE   LYS  45          2HE       LYS  45 -23.148   1.726  -3.933
  380   2HE   LYS  45          1HE       LYS  45 -21.606   1.721  -3.078
  381   1HZ   LYS  45          1HZ       LYS  45 -22.170  -0.474  -2.195
  382   2HZ   LYS  45          3HZ       LYS  45 -23.613  -0.469  -3.087
  383   3HZ   LYS  45          2HZ       LYS  45 -22.117  -0.474  -3.893
  384    H    HIS  46           H        HIS  46 -26.847   4.446  -0.802
  385    HA   HIS  46           HA       HIS  46 -27.967   5.996   1.413
  386   1HB   HIS  46          2HB       HIS  46 -30.078   4.946   0.828
  387   2HB   HIS  46          1HB       HIS  46 -29.265   5.419  -0.660
  388    HD1  HIS  46           HD1      HIS  46 -28.308   3.518  -2.163
  389    HD2  HIS  46           HD2      HIS  46 -30.297   2.137   1.231
  390    HE1  HIS  46           HE1      HIS  46 -28.668   1.034  -2.503
  391    HA   PRO  47           HA       PRO  47 -27.517   3.245   4.783
  392   1HB   PRO  47          2HB       PRO  47 -30.301   3.113   5.516
  393   2HB   PRO  47          1HB       PRO  47 -29.024   4.092   6.251
  394   1HG   PRO  47          2HG       PRO  47 -31.185   4.999   4.579
  395   2HG   PRO  47          1HG       PRO  47 -29.895   5.969   5.300
  396   1HD   PRO  47          2HD       PRO  47 -30.225   5.247   2.530
  397   2HD   PRO  47          1HD       PRO  47 -28.932   6.222   3.255
  398    H    LYS  48           H        LYS  48 -27.039   1.156   4.189
  399    HA   LYS  48           HA       LYS  48 -29.181  -0.815   3.997
  400   1HB   LYS  48          2HB       LYS  48 -28.560  -1.647   1.745
  401   2HB   LYS  48          1HB       LYS  48 -29.189  -0.001   1.678
  402   1HG   LYS  48          2HG       LYS  48 -27.049   0.932   1.333
  403   2HG   LYS  48          1HG       LYS  48 -26.225  -0.516   1.910
  404   1HD   LYS  48          2HD       LYS  48 -27.950  -1.135  -0.343
  405   2HD   LYS  48          1HD       LYS  48 -26.797   0.134  -0.760
  406   1HE   LYS  48          2HE       LYS  48 -24.993  -1.347   0.278
  407   2HE   LYS  48          1HE       LYS  48 -26.200  -2.634   0.308
  408   1HZ   LYS  48          1HZ       LYS  48 -25.417  -1.129  -2.129
  409   2HZ   LYS  48          3HZ       LYS  48 -24.794  -2.648  -1.702
  410   3HZ   LYS  48          2HZ       LYS  48 -26.448  -2.478  -2.051
  411    H    LYS  49           H        LYS  49 -28.291  -3.041   3.916
  412    HA   LYS  49           HA       LYS  49 -25.887  -3.285   5.509
  413   1HB   LYS  49          2HB       LYS  49 -26.216  -5.721   5.260
  414   2HB   LYS  49          1HB       LYS  49 -27.723  -4.920   5.697
  415   1HG   LYS  49          2HG       LYS  49 -28.632  -5.992   3.924
  416   2HG   LYS  49          1HG       LYS  49 -27.755  -4.835   2.923
  417   1HD   LYS  49          2HD       LYS  49 -26.890  -6.761   2.019
  418   2HD   LYS  49          1HD       LYS  49 -25.765  -6.593   3.367
  419   1HE   LYS  49          2HE       LYS  49 -27.308  -8.030   4.742
  420   2HE   LYS  49          1HE       LYS  49 -28.264  -8.306   3.287
  421   1HZ   LYS  49          1HZ       LYS  49 -26.266  -9.192   2.215
  422   2HZ   LYS  49          3HZ       LYS  49 -25.395  -8.985   3.656
  423   3HZ   LYS  49          2HZ       LYS  49 -26.689 -10.085   3.597
  424    H    GLY  50           H        GLY  50 -23.805  -3.742   4.868
  425   1HA   GLY  50          2HA       GLY  50 -23.266  -3.675   1.945
  426   2HA   GLY  50          1HA       GLY  50 -22.082  -3.359   3.213
  427    H    VAL  51           H        VAL  51 -20.537  -4.909   2.868
  428    HA   VAL  51           HA       VAL  51 -21.221  -7.692   3.430
  429    HB   VAL  51           HB       VAL  51 -21.740  -7.527   1.004
  430   1HG1  VAL  51          1HG1      VAL  51 -19.975  -5.688   0.647
  431   2HG1  VAL  51          3HG1      VAL  51 -18.798  -6.999   0.565
  432   3HG1  VAL  51          2HG1      VAL  51 -20.110  -6.917  -0.610
  433   1HG2  VAL  51          1HG2      VAL  51 -20.750  -9.607   2.063
  434   2HG2  VAL  51          3HG2      VAL  51 -20.473  -9.461   0.327
  435   3HG2  VAL  51          2HG2      VAL  51 -19.178  -9.080   1.462
  436    H    GLU  52           H        GLU  52 -19.462  -8.740   4.312
  437    HA   GLU  52           HA       GLU  52 -17.135  -7.216   5.041
  438   1HB   GLU  52          2HB       GLU  52 -18.140  -9.250   6.255
  439   2HB   GLU  52          1HB       GLU  52 -17.301 -10.236   5.058
  440   1HG   GLU  52          2HG       GLU  52 -15.166  -9.476   5.764
  441   2HG   GLU  52          1HG       GLU  52 -15.854  -8.122   6.659
  442    H    LYS  53           H        LYS  53 -15.393  -6.772   3.789
  443    HA   LYS  53           HA       LYS  53 -14.719  -8.665   1.568
  444   1HB   LYS  53          2HB       LYS  53 -15.068  -5.702   1.572
  445   2HB   LYS  53          1HB       LYS  53 -13.768  -6.360   0.579
  446   1HG   LYS  53          2HG       LYS  53 -16.142  -7.964   0.238
  447   2HG   LYS  53          1HG       LYS  53 -16.530  -6.267  -0.046
  448   1HD   LYS  53          2HD       LYS  53 -15.793  -6.969  -2.157
  449   2HD   LYS  53          1HD       LYS  53 -14.336  -6.256  -1.466
  450   1HE   LYS  53          2HE       LYS  53 -14.053  -8.774  -0.547
  451   2HE   LYS  53          1HE       LYS  53 -14.973  -9.112  -2.013
  452   1HZ   LYS  53          1HZ       LYS  53 -13.335  -7.773  -3.248
  453   2HZ   LYS  53          3HZ       LYS  53 -12.422  -7.603  -1.828
  454   3HZ   LYS  53          2HZ       LYS  53 -12.648  -9.141  -2.514
  455    H    TYR  54           H        TYR  54 -12.537  -9.108   1.274
  456    HA   TYR  54           HA       TYR  54 -10.584  -7.720   3.058
  457   1HB   TYR  54          2HB       TYR  54 -11.045 -10.692   2.756
  458   2HB   TYR  54          1HB       TYR  54  -9.497 -10.051   3.305
  459    HD1  TYR  54           HD2      TYR  54  -9.596  -8.312   5.271
  460    HD2  TYR  54           HD1      TYR  54 -12.753 -11.061   4.310
  461    HE1  TYR  54           HE2      TYR  54 -10.513  -8.060   7.561
  462    HE2  TYR  54           HE1      TYR  54 -13.668 -10.810   6.599
  463    HH   TYR  54           HH       TYR  54 -13.283  -8.547   8.495
  464    H    GLY  55           H        GLY  55 -10.743 -10.213   0.472
  465   1HA   GLY  55          2HA       GLY  55  -8.605  -8.692  -0.967
  466   2HA   GLY  55          1HA       GLY  55  -8.554 -10.450  -0.846
  467    HA   PRO  56           HA       PRO  56 -11.609  -8.687  -4.224
  468   1HB   PRO  56          2HB       PRO  56  -9.594  -8.039  -6.156
  469   2HB   PRO  56          1HB       PRO  56 -10.717  -6.933  -5.356
  470   1HG   PRO  56          2HG       PRO  56  -7.876  -7.187  -4.919
  471   2HG   PRO  56          1HG       PRO  56  -9.000  -6.066  -4.141
  472   1HD   PRO  56          2HD       PRO  56  -7.752  -8.408  -3.003
  473   2HD   PRO  56          1HD       PRO  56  -8.846  -7.255  -2.213
  474    H    GLU  57           H        GLU  57 -10.870  -9.330  -6.907
  475    HA   GLU  57           HA       GLU  57 -10.255 -12.245  -6.642
  476   1HB   GLU  57          2HB       GLU  57 -11.403 -12.165  -9.068
  477   2HB   GLU  57          1HB       GLU  57 -12.348 -12.343  -7.593
  478   1HG   GLU  57          2HG       GLU  57 -13.178 -10.193  -7.702
  479   2HG   GLU  57          1HG       GLU  57 -11.740  -9.560  -8.498
  480    H    ALA  58           H        ALA  58 -10.082  -9.773  -9.252
  481    HA   ALA  58           HA       ALA  58  -7.675 -11.038 -10.344
  482   1HB   ALA  58          2HB       ALA  58  -9.042  -8.425 -11.074
  483   2HB   ALA  58          1HB       ALA  58  -7.761  -9.204 -12.002
  484   3HB   ALA  58          3HB       ALA  58  -9.334  -9.984 -11.844
  485    H    SER  59           H        SER  59  -8.494  -8.047  -8.591
  486    HA   SER  59           HA       SER  59  -5.806  -6.989  -8.568
  487   1HB   SER  59          2HB       SER  59  -7.902  -5.646  -8.162
  488   2HB   SER  59          1HB       SER  59  -8.037  -6.429  -6.591
  489    HG   SER  59           HG       SER  59  -6.544  -5.141  -5.875
  490    H    ALA  60           H        ALA  60  -7.512  -9.344  -6.597
  491    HA   ALA  60           HA       ALA  60  -5.933  -9.277  -4.234
  492   1HB   ALA  60          2HB       ALA  60  -7.536 -11.397  -5.629
  493   2HB   ALA  60          1HB       ALA  60  -6.491 -11.862  -4.286
  494   3HB   ALA  60          3HB       ALA  60  -7.778 -10.682  -4.034
  495    H    PHE  61           H        PHE  61  -5.404 -10.964  -7.330
  496    HA   PHE  61           HA       PHE  61  -3.018 -12.357  -6.555
  497   1HB   PHE  61          2HB       PHE  61  -3.994 -11.403  -9.262
  498   2HB   PHE  61          1HB       PHE  61  -2.571 -12.419  -9.040
  499    HD1  PHE  61           HD2      PHE  61  -2.987 -14.553  -7.468
  500    HD2  PHE  61           HD1      PHE  61  -6.030 -12.456  -9.661
  501    HE1  PHE  61           HE2      PHE  61  -4.440 -16.561  -7.374
  502    HE2  PHE  61           HE1      PHE  61  -7.481 -14.465  -9.566
  503    HZ   PHE  61           HZ       PHE  61  -6.687 -16.516  -8.424
  504    H    THR  62           H        THR  62  -3.587  -9.172  -8.035
  505    HA   THR  62           HA       THR  62  -0.844  -8.418  -8.381
  506    HB   THR  62           HB       THR  62  -3.466  -6.980  -8.211
  507    HG1  THR  62           HG1      THR  62  -1.336  -7.266 -10.026
  508   1HG2  THR  62          1HG2      THR  62  -0.759  -5.644  -7.978
  509   2HG2  THR  62          3HG2      THR  62  -2.231  -4.799  -8.458
  510   3HG2  THR  62          2HG2      THR  62  -2.111  -5.516  -6.853
  511    H    LYS  63           H        LYS  63  -3.068  -8.234  -5.625
  512    HA   LYS  63           HA       LYS  63  -1.432  -6.620  -3.908
  513   1HB   LYS  63          2HB       LYS  63  -3.864  -7.071  -3.558
  514   2HB   LYS  63          1HB       LYS  63  -3.461  -8.731  -3.123
  515   1HG   LYS  63          2HG       LYS  63  -2.354  -8.082  -1.153
  516   2HG   LYS  63          1HG       LYS  63  -2.146  -6.420  -1.709
  517   1HD   LYS  63          2HD       LYS  63  -3.899  -6.311  -0.109
  518   2HD   LYS  63          1HD       LYS  63  -4.708  -6.258  -1.675
  519   1HE   LYS  63          2HE       LYS  63  -4.939  -8.796  -1.488
  520   2HE   LYS  63          1HE       LYS  63  -4.443  -8.621   0.195
  521   1HZ   LYS  63          3HZ       LYS  63  -6.286  -7.084   0.529
  522   2HZ   LYS  63          2HZ       LYS  63  -6.771  -7.293  -1.086
  523   3HZ   LYS  63          1HZ       LYS  63  -6.838  -8.597   0.001
  524    H    LYS  64           H        LYS  64  -1.109  -9.928  -4.896
  525    HA   LYS  64           HA       LYS  64   0.232 -10.940  -2.560
  526   1HB   LYS  64          2HB       LYS  64  -0.056 -11.813  -5.402
  527   2HB   LYS  64          1HB       LYS  64   1.239 -12.530  -4.447
  528   1HG   LYS  64          2HG       LYS  64  -0.256 -13.894  -3.473
  529   2HG   LYS  64          1HG       LYS  64  -1.084 -12.486  -2.807
  530   1HD   LYS  64          2HD       LYS  64  -2.577 -12.353  -4.616
  531   2HD   LYS  64          1HD       LYS  64  -1.550 -13.336  -5.657
  532   1HE   LYS  64          2HE       LYS  64  -2.975 -15.016  -5.081
  533   2HE   LYS  64          1HE       LYS  64  -2.016 -15.074  -3.602
  534   1HZ   LYS  64          3HZ       LYS  64  -4.468 -13.440  -3.982
  535   2HZ   LYS  64          2HZ       LYS  64  -4.400 -14.923  -3.157
  536   3HZ   LYS  64          1HZ       LYS  64  -3.565 -13.574  -2.551
  537    H    MET  65           H        MET  65   1.184  -8.697  -4.947
  538    HA   MET  65           HA       MET  65   3.972  -9.181  -5.179
  539   1HB   MET  65          2HB       MET  65   4.088  -6.989  -6.064
  540   2HB   MET  65          1HB       MET  65   2.456  -7.529  -6.440
  541   1HG   MET  65          2HG       MET  65   1.967  -6.429  -4.047
  542   2HG   MET  65          1HG       MET  65   3.354  -5.450  -4.518
  543   1HE   MET  65          2HE       MET  65   0.393  -5.214  -3.865
  544   2HE   MET  65          1HE       MET  65   0.166  -3.645  -4.633
  545   3HE   MET  65          3HE       MET  65  -0.761  -5.045  -5.186
  546    H    LEU  66           H        LEU  66   2.167  -8.299  -2.419
  547    HA   LEU  66           HA       LEU  66   4.631  -7.317  -1.040
  548   1HB   LEU  66          2HB       LEU  66   1.841  -6.375  -1.052
  549   2HB   LEU  66          1HB       LEU  66   2.517  -6.565   0.564
  550    HG   LEU  66           HG       LEU  66   4.515  -5.233  -0.202
  551   1HD1  LEU  66          1HD1      LEU  66   2.752  -4.977  -2.645
  552   2HD1  LEU  66          3HD1      LEU  66   3.998  -3.787  -2.266
  553   3HD1  LEU  66          2HD1      LEU  66   4.446  -5.466  -2.570
  554   1HD2  LEU  66          1HD2      LEU  66   1.727  -4.068  -0.217
  555   2HD2  LEU  66          3HD2      LEU  66   2.904  -4.065   1.096
  556   3HD2  LEU  66          2HD2      LEU  66   3.160  -3.045  -0.318
  557    H    GLU  67           H        GLU  67   2.342  -9.881  -1.223
  558    HA   GLU  67           HA       GLU  67   2.489 -10.586   1.620
  559   1HB   GLU  67          2HB       GLU  67   0.954 -12.305   1.131
  560   2HB   GLU  67          1HB       GLU  67   0.498 -11.008   0.031
  561   1HG   GLU  67          2HG       GLU  67   0.854 -12.345  -1.742
  562   2HG   GLU  67          1HG       GLU  67   2.511 -12.634  -1.226
  563    H    ASN  68           H        ASN  68   4.553 -11.065  -1.056
  564    HA   ASN  68           HA       ASN  68   6.158 -12.986   0.482
  565   1HB   ASN  68          2HB       ASN  68   6.022 -14.813  -1.045
  566   2HB   ASN  68          1HB       ASN  68   4.363 -14.318  -0.719
  567   1HD2  ASN  68          2HD2      ASN  68   4.122 -12.706  -4.057
  568   2HD2  ASN  68          1HD2      ASN  68   3.790 -12.265  -2.451
  569    H    ALA  69           H        ALA  69   5.856 -10.902  -2.354
  570    HA   ALA  69           HA       ALA  69   8.421 -11.528  -3.502
  571   1HB   ALA  69          3HB       ALA  69   6.233  -9.728  -4.040
  572   2HB   ALA  69          2HB       ALA  69   7.766  -8.867  -4.176
  573   3HB   ALA  69          1HB       ALA  69   7.479 -10.318  -5.138
  574    H    LYS  70           H        LYS  70  10.384 -11.026  -2.710
  575    HA   LYS  70           HA       LYS  70  10.644  -9.096  -0.496
  576   1HB   LYS  70          2HB       LYS  70  12.237 -11.297  -1.607
  577   2HB   LYS  70          1HB       LYS  70  13.212  -9.891  -1.176
  578   1HG   LYS  70          2HG       LYS  70  13.019 -10.388   1.009
  579   2HG   LYS  70          1HG       LYS  70  11.261 -10.338   0.888
  580   1HD   LYS  70          2HD       LYS  70  11.106 -12.639   0.400
  581   2HD   LYS  70          1HD       LYS  70  12.806 -12.748  -0.058
  582   1HE   LYS  70          2HE       LYS  70  13.463 -12.327   2.287
  583   2HE   LYS  70          1HE       LYS  70  11.763 -12.228   2.744
  584   1HZ   LYS  70          2HZ       LYS  70  13.049 -14.601   1.501
  585   2HZ   LYS  70          1HZ       LYS  70  12.735 -14.427   3.161
  586   3HZ   LYS  70          3HZ       LYS  70  11.448 -14.497   2.059
  587    H    LYS  71           H        LYS  71  12.087  -9.484  -3.770
  588    HA   LYS  71           HA       LYS  71  13.167  -6.755  -3.708
  589   1HB   LYS  71          2HB       LYS  71  13.820  -9.009  -5.143
  590   2HB   LYS  71          1HB       LYS  71  12.893  -8.095  -6.333
  591   1HG   LYS  71          2HG       LYS  71  15.034  -7.236  -6.668
  592   2HG   LYS  71          1HG       LYS  71  14.375  -6.078  -5.512
  593   1HD   LYS  71          2HD       LYS  71  15.595  -6.966  -3.723
  594   2HD   LYS  71          1HD       LYS  71  15.817  -8.523  -4.520
  595   1HE   LYS  71          2HE       LYS  71  17.185  -7.203  -6.279
  596   2HE   LYS  71          1HE       LYS  71  17.230  -5.915  -5.075
  597   1HZ   LYS  71          3HZ       LYS  71  18.142  -8.709  -4.641
  598   2HZ   LYS  71          2HZ       LYS  71  19.155  -7.372  -4.907
  599   3HZ   LYS  71          1HZ       LYS  71  18.207  -7.455  -3.500
  600    H    ILE  72           H        ILE  72  12.153  -4.926  -4.598
  601    HA   ILE  72           HA       ILE  72   9.707  -5.330  -6.211
  602    HB   ILE  72           HB       ILE  72   9.814  -3.969  -3.530
  603   1HG1  ILE  72          2HG1      ILE  72   7.931  -6.062  -4.658
  604   2HG1  ILE  72          1HG1      ILE  72   9.307  -6.418  -3.618
  605   1HG2  ILE  72          2HG2      ILE  72   7.705  -3.750  -5.682
  606   2HG2  ILE  72          1HG2      ILE  72   7.461  -3.256  -4.007
  607   3HG2  ILE  72          3HG2      ILE  72   8.662  -2.436  -5.000
  608   1HD1  ILE  72          1HD1      ILE  72   8.277  -4.811  -1.924
  609   2HD1  ILE  72          3HD1      ILE  72   6.822  -4.845  -2.921
  610   3HD1  ILE  72          2HD1      ILE  72   7.412  -6.328  -2.171
  611    H    GLU  73           H        GLU  73  10.436  -4.230  -7.924
  612    HA   GLU  73           HA       GLU  73  11.896  -1.705  -7.685
  613   1HB   GLU  73          2HB       GLU  73  10.979  -3.454  -9.948
  614   2HB   GLU  73          1HB       GLU  73  11.405  -1.778 -10.286
  615   1HG   GLU  73          2HG       GLU  73  13.423  -2.818  -8.571
  616   2HG   GLU  73          1HG       GLU  73  13.162  -4.008  -9.846
  617    H    VAL  74           H        VAL  74   9.934  -0.966  -6.313
  618    HA   VAL  74           HA       VAL  74   7.384  -0.426  -7.243
  619    HB   VAL  74           HB       VAL  74   7.947   1.944  -5.929
  620   1HG1  VAL  74          1HG1      VAL  74   6.627  -0.562  -5.468
  621   2HG1  VAL  74          3HG1      VAL  74   7.353   0.022  -3.972
  622   3HG1  VAL  74          2HG1      VAL  74   6.219   1.042  -4.859
  623   1HG2  VAL  74          1HG2      VAL  74  10.282   1.122  -5.512
  624   2HG2  VAL  74          3HG2      VAL  74   9.360   1.390  -4.035
  625   3HG2  VAL  74          2HG2      VAL  74   9.598  -0.248  -4.638
  626    H    GLU  75           H        GLU  75   6.609   0.583  -8.929
  627    HA   GLU  75           HA       GLU  75   8.286   2.453 -10.493
  628   1HB   GLU  75          2HB       GLU  75   7.049   0.539 -11.541
  629   2HB   GLU  75          1HB       GLU  75   5.538   1.298 -11.054
  630   1HG   GLU  75          2HG       GLU  75   5.693   2.940 -12.642
  631   2HG   GLU  75          1HG       GLU  75   7.451   2.965 -12.599
  632    H    PHE  76           H        PHE  76   8.187   4.305  -9.070
  633    HA   PHE  76           HA       PHE  76   5.460   5.448  -8.666
  634   1HB   PHE  76          2HB       PHE  76   6.911   7.073  -7.116
  635   2HB   PHE  76          1HB       PHE  76   6.315   5.529  -6.538
  636    HD1  PHE  76           HD2      PHE  76   9.268   7.140  -8.147
  637    HD2  PHE  76           HD1      PHE  76   7.798   3.887  -5.761
  638    HE1  PHE  76           HE2      PHE  76  11.596   6.417  -7.703
  639    HE2  PHE  76           HE1      PHE  76  10.126   3.164  -5.313
  640    HZ   PHE  76           HZ       PHE  76  12.027   4.430  -6.282
  641    H    ASP  77           H        ASP  77   6.726   5.689 -11.241
  642    HA   ASP  77           HA       ASP  77   7.404   7.246 -12.856
  643   1HB   ASP  77          2HB       ASP  77   5.957   9.188 -12.966
  644   2HB   ASP  77          1HB       ASP  77   5.020   7.814 -12.397
  645    H    LYS  78           H        LYS  78   7.793   9.951 -12.917
  646    HA   LYS  78           HA       LYS  78  10.404  10.244 -11.685
  647   1HB   LYS  78          2HB       LYS  78  10.102  12.697 -12.484
  648   2HB   LYS  78          1HB       LYS  78  10.171  11.438 -13.711
  649   1HG   LYS  78          2HG       LYS  78   7.925  11.628 -14.230
  650   2HG   LYS  78          1HG       LYS  78   7.485  12.139 -12.603
  651   1HD   LYS  78          2HD       LYS  78   8.516  14.343 -13.009
  652   2HD   LYS  78          1HD       LYS  78   8.959  13.835 -14.640
  653   1HE   LYS  78          2HE       LYS  78   6.093  13.653 -13.746
  654   2HE   LYS  78          1HE       LYS  78   6.747  15.199 -14.283
  655   1HZ   LYS  78          3HZ       LYS  78   7.463  14.091 -16.343
  656   2HZ   LYS  78          2HZ       LYS  78   6.702  12.663 -15.828
  657   3HZ   LYS  78          1HZ       LYS  78   5.781  14.055 -16.137
  658    H    GLY  79           H        GLY  79  10.389  10.335  -9.430
  659   1HA   GLY  79          2HA       GLY  79  10.258  11.518  -7.397
  660   2HA   GLY  79          1HA       GLY  79   9.253  12.726  -8.196
  661    H    GLN  80           H        GLN  80   8.567  11.818  -5.701
  662    HA   GLN  80           HA       GLN  80   6.834   9.615  -5.457
  663   1HB   GLN  80          2HB       GLN  80   7.277  12.131  -4.009
  664   2HB   GLN  80          1HB       GLN  80   5.617  11.546  -3.887
  665   1HG   GLN  80          2HG       GLN  80   7.147   9.239  -3.571
  666   2HG   GLN  80          1HG       GLN  80   8.055  10.465  -2.685
  667   1HE2  GLN  80          2HE2      GLN  80   4.169   9.804  -1.464
  668   2HE2  GLN  80          1HE2      GLN  80   4.533   9.709  -3.119
  669    H    ARG  81           H        ARG  81   6.238  12.781  -6.904
  670    HA   ARG  81           HA       ARG  81   4.608  13.349  -8.507
  671   1HB   ARG  81          2HB       ARG  81   4.422  10.775  -8.827
  672   2HB   ARG  81          1HB       ARG  81   2.986  10.910  -7.811
  673   1HG   ARG  81          2HG       ARG  81   2.169  11.141 -10.027
  674   2HG   ARG  81          1HG       ARG  81   2.244  12.790  -9.408
  675   1HD   ARG  81          2HD       ARG  81   4.799  12.223 -10.497
  676   2HD   ARG  81          1HD       ARG  81   3.621  11.648 -11.673
  677    HE   ARG  81           HE       ARG  81   4.292  14.295 -11.516
  678   1HH1  ARG  81          1HH2      ARG  81   2.544  15.337  -9.666
  679   2HH1  ARG  81          2HH2      ARG  81   0.992  15.429 -10.429
  680   1HH2  ARG  81          2HH1      ARG  81   1.812  13.198 -12.965
  681   2HH2  ARG  81          1HH1      ARG  81   0.577  14.214 -12.302
  682    H    THR  82           H        THR  82   3.537  12.097  -5.347
  683    HA   THR  82           HA       THR  82   1.790  14.492  -5.129
  684    HB   THR  82           HB       THR  82   0.085  12.923  -3.968
  685    HG1  THR  82           HG1      THR  82   1.437  11.072  -5.639
  686   1HG2  THR  82          3HG2      THR  82   0.036  14.099  -6.311
  687   2HG2  THR  82          2HG2      THR  82   0.270  12.465  -6.929
  688   3HG2  THR  82          1HG2      THR  82  -1.146  12.842  -5.948
  689    H    ASP  83           H        ASP  83   1.649  11.833  -2.849
  690    HA   ASP  83           HA       ASP  83   2.453  11.579  -0.689
  691   1HB   ASP  83          2HB       ASP  83   4.675  11.883  -0.698
  692   2HB   ASP  83          1HB       ASP  83   4.552  12.993  -2.053
  693    H    LYS  84           H        LYS  84   0.997  14.401  -1.831
  694    HA   LYS  84           HA       LYS  84   0.790  15.608   0.885
  695   1HB   LYS  84          2HB       LYS  84   0.011  16.619  -1.864
  696   2HB   LYS  84          1HB       LYS  84  -0.399  17.468  -0.373
  697   1HG   LYS  84          2HG       LYS  84   2.440  16.687  -1.085
  698   2HG   LYS  84          1HG       LYS  84   1.739  18.242  -1.531
  699   1HD   LYS  84          2HD       LYS  84   2.430  18.964   0.500
  700   2HD   LYS  84          1HD       LYS  84   1.093  18.020   1.157
  701   1HE   LYS  84          2HE       LYS  84   2.877  16.040   0.922
  702   2HE   LYS  84          1HE       LYS  84   4.010  17.381   1.078
  703   1HZ   LYS  84          1HZ       LYS  84   2.842  18.057   3.102
  704   2HZ   LYS  84          3HZ       LYS  84   1.810  16.717   2.960
  705   3HZ   LYS  84          2HZ       LYS  84   3.470  16.485   3.234
  706    H    TYR  85           H        TYR  85  -0.947  13.908  -1.561
  707    HA   TYR  85           HA       TYR  85  -3.123  13.216   0.236
  708   1HB   TYR  85          2HB       TYR  85  -4.098  15.299  -0.498
  709   2HB   TYR  85          1HB       TYR  85  -3.641  14.990  -2.174
  710    HD1  TYR  85           HD1      TYR  85  -5.672  13.553   0.630
  711    HD2  TYR  85           HD2      TYR  85  -5.135  13.890  -3.619
  712    HE1  TYR  85           HE1      TYR  85  -7.789  12.314   0.264
  713    HE2  TYR  85           HE2      TYR  85  -7.252  12.656  -3.985
  714    HH   TYR  85           HH       TYR  85  -9.567  12.329  -1.965
  715    H    GLY  86           H        GLY  86  -1.747  13.250  -3.036
  716   1HA   GLY  86          2HA       GLY  86  -3.116  10.962  -4.061
  717   2HA   GLY  86          1HA       GLY  86  -1.585  11.595  -4.663
  718    H    ARG  87           H        ARG  87  -0.743  11.227  -1.592
  719    HA   ARG  87           HA       ARG  87   0.314   9.571  -0.313
  720   1HB   ARG  87          2HB       ARG  87  -1.944   8.397  -1.342
  721   2HB   ARG  87          1HB       ARG  87  -0.672   7.349  -1.957
  722   1HG   ARG  87          2HG       ARG  87   0.091   6.823   0.239
  723   2HG   ARG  87          1HG       ARG  87  -0.852   8.131   0.958
  724   1HD   ARG  87          2HD       ARG  87  -1.791   5.662   1.036
  725   2HD   ARG  87          1HD       ARG  87  -2.877   7.002   0.708
  726    HE   ARG  87           HE       ARG  87  -1.817   6.104  -1.789
  727   1HH1  ARG  87          1HH2      ARG  87  -4.633   5.946  -0.077
  728   2HH1  ARG  87          2HH2      ARG  87  -5.152   4.409  -0.684
  729   1HH2  ARG  87          2HH1      ARG  87  -2.121   3.693  -2.218
  730   2HH2  ARG  87          1HH1      ARG  87  -3.729   3.135  -1.903
  731    H    VAL  88           H        VAL  88   1.234   7.013  -1.402
  732    HA   VAL  88           HA       VAL  88   3.468   8.044  -3.052
  733    HB   VAL  88           HB       VAL  88   3.315   5.181  -2.180
  734   1HG1  VAL  88          3HG1      VAL  88   5.212   6.188  -3.503
  735   2HG1  VAL  88          2HG1      VAL  88   5.553   7.238  -2.129
  736   3HG1  VAL  88          1HG1      VAL  88   5.720   5.491  -1.964
  737   1HG2  VAL  88          2HG2      VAL  88   3.211   7.501  -0.361
  738   2HG2  VAL  88          1HG2      VAL  88   2.934   5.794  -0.020
  739   3HG2  VAL  88          3HG2      VAL  88   4.576   6.431  -0.052
  740    H    LEU  89           H        LEU  89   2.013   8.320  -4.898
  741    HA   LEU  89           HA       LEU  89   0.557   6.145  -6.065
  742   1HB   LEU  89          2HB       LEU  89   1.716   8.597  -7.442
  743   2HB   LEU  89          1HB       LEU  89   0.428   7.567  -8.067
  744    HG   LEU  89           HG       LEU  89   0.266   9.061  -5.434
  745   1HD1  LEU  89          2HD1      LEU  89   0.388  10.559  -7.453
  746   2HD1  LEU  89          1HD1      LEU  89  -1.066   9.766  -8.058
  747   3HD1  LEU  89          3HD1      LEU  89  -1.123  10.681  -6.552
  748   1HD2  LEU  89          3HD2      LEU  89  -1.636   7.375  -7.057
  749   2HD2  LEU  89          2HD2      LEU  89  -1.242   7.251  -5.342
  750   3HD2  LEU  89          1HD2      LEU  89  -2.240   8.584  -5.924
  751    H    ALA  90           H        ALA  90   1.840   4.319  -6.198
  752    HA   ALA  90           HA       ALA  90   3.672   4.163  -8.475
  753   1HB   ALA  90          3HB       ALA  90   4.838   4.840  -6.103
  754   2HB   ALA  90          2HB       ALA  90   4.903   3.080  -6.016
  755   3HB   ALA  90          1HB       ALA  90   5.651   3.922  -7.370
  756    H    TYR  91           H        TYR  91   3.777   2.055  -9.257
  757    HA   TYR  91           HA       TYR  91   2.030   0.090  -7.913
  758   1HB   TYR  91          2HB       TYR  91   3.064   0.467 -10.661
  759   2HB   TYR  91          1HB       TYR  91   2.864  -1.204 -10.134
  760    HD1  TYR  91           HD1      TYR  91   0.722   1.124  -8.417
  761    HD2  TYR  91           HD2      TYR  91   1.067  -1.246 -11.983
  762    HE1  TYR  91           HE1      TYR  91  -1.716   1.293  -8.754
  763    HE2  TYR  91           HE2      TYR  91  -1.379  -1.071 -12.321
  764    HH   TYR  91           HH       TYR  91  -3.228   0.724 -11.549
  765    H    ILE  92           H        ILE  92   2.853  -2.230  -7.848
  766    HA   ILE  92           HA       ILE  92   5.648  -2.128  -6.789
  767    HB   ILE  92           HB       ILE  92   3.628  -4.287  -6.193
  768   1HG1  ILE  92          2HG1      ILE  92   2.533  -2.185  -5.586
  769   2HG1  ILE  92          1HG1      ILE  92   3.082  -2.987  -4.117
  770   1HG2  ILE  92          3HG2      ILE  92   6.125  -4.469  -5.660
  771   2HG2  ILE  92          2HG2      ILE  92   5.851  -3.187  -4.480
  772   3HG2  ILE  92          1HG2      ILE  92   5.014  -4.729  -4.318
  773   1HD1  ILE  92          1HD1      ILE  92   5.243  -1.535  -4.415
  774   2HD1  ILE  92          3HD1      ILE  92   4.235  -0.550  -5.475
  775   3HD1  ILE  92          2HD1      ILE  92   3.789  -0.764  -3.784
  776    H    TYR  93           H        TYR  93   7.179  -3.167  -7.909
  777    HA   TYR  93           HA       TYR  93   6.332  -5.245  -9.888
  778   1HB   TYR  93          2HB       TYR  93   8.579  -3.215 -10.077
  779   2HB   TYR  93          1HB       TYR  93   8.234  -4.463 -11.279
  780    HD1  TYR  93           HD1      TYR  93   6.503  -1.723  -9.383
  781    HD2  TYR  93           HD2      TYR  93   6.787  -3.969 -13.020
  782    HE1  TYR  93           HE1      TYR  93   4.749  -0.333 -10.379
  783    HE2  TYR  93           HE2      TYR  93   5.028  -2.579 -14.026
  784    HH   TYR  93           HH       TYR  93   4.147   0.281 -13.045
  785    H    ALA  94           H        ALA  94   6.778  -7.050  -8.582
  786    HA   ALA  94           HA       ALA  94   9.466  -7.212  -7.418
  787   1HB   ALA  94          1HB       ALA  94   7.319  -7.891  -6.181
  788   2HB   ALA  94          3HB       ALA  94   7.309  -9.312  -7.226
  789   3HB   ALA  94          2HB       ALA  94   8.659  -9.036  -6.125
  790    H    ASP  95           H        ASP  95   9.472 -10.160  -7.601
  791    HA   ASP  95           HA       ASP  95  11.182 -10.714  -9.663
  792   1HB   ASP  95          2HB       ASP  95  10.298 -12.284  -7.865
  793   2HB   ASP  95          1HB       ASP  95   8.935 -12.600  -8.936
  794    H    GLY  96           H        GLY  96   7.629 -11.144  -9.985
  795   1HA   GLY  96          2HA       GLY  96   7.792 -10.314 -12.827
  796   2HA   GLY  96          1HA       GLY  96   7.184 -11.939 -12.521
  797    H    LYS  97           H        LYS  97   6.610  -9.202 -10.378
  798    HA   LYS  97           HA       LYS  97   3.747  -9.669 -10.673
  799   1HB   LYS  97          2HB       LYS  97   5.240  -8.725  -8.588
  800   2HB   LYS  97          1HB       LYS  97   4.601  -7.222  -9.247
  801   1HG   LYS  97          2HG       LYS  97   2.809  -7.773  -7.938
  802   2HG   LYS  97          1HG       LYS  97   2.366  -8.699  -9.366
  803   1HD   LYS  97          2HD       LYS  97   3.825 -10.584  -8.277
  804   2HD   LYS  97          1HD       LYS  97   3.566  -9.676  -6.790
  805   1HE   LYS  97          2HE       LYS  97   1.232  -9.980  -6.863
  806   2HE   LYS  97          1HE       LYS  97   1.248 -10.384  -8.579
  807   1HZ   LYS  97          3HZ       LYS  97   2.428 -12.430  -8.043
  808   2HZ   LYS  97          2HZ       LYS  97   2.383 -12.042  -6.389
  809   3HZ   LYS  97          1HZ       LYS  97   0.941 -12.355  -7.232
  810    H    MET  98           H        MET  98   5.094  -6.380 -10.609
  811    HA   MET  98           HA       MET  98   4.684  -4.582 -12.031
  812   1HB   MET  98          2HB       MET  98   4.551  -6.653 -14.247
  813   2HB   MET  98          1HB       MET  98   5.012  -4.959 -14.388
  814   1HG   MET  98          2HG       MET  98   7.161  -5.509 -14.021
  815   2HG   MET  98          1HG       MET  98   6.728  -6.181 -12.451
  816   1HE   MET  98          1HE       MET  98   9.113  -7.183 -13.927
  817   2HE   MET  98          3HE       MET  98   8.551  -8.031 -12.480
  818   3HE   MET  98          2HE       MET  98   8.969  -8.938 -13.931
  819    H    VAL  99           H        VAL  99   2.543  -6.413 -10.863
  820    HA   VAL  99           HA       VAL  99   0.256  -6.661 -10.914
  821    HB   VAL  99           HB       VAL  99   0.946  -4.007 -11.330
  822   1HG1  VAL  99          2HG1      VAL  99   0.246  -4.563 -13.786
  823   2HG1  VAL  99          1HG1      VAL  99  -1.395  -4.498 -13.142
  824   3HG1  VAL  99          3HG1      VAL  99  -0.346  -3.086 -13.030
  825   1HG2  VAL  99          3HG2      VAL  99  -0.667  -5.031  -9.715
  826   2HG2  VAL  99          2HG2      VAL  99  -1.237  -3.532 -10.447
  827   3HG2  VAL  99          1HG2      VAL  99  -1.862  -5.083 -11.009
  828    H    ASN 100           H        ASN 100   2.027  -7.782 -13.155
  829    HA   ASN 100           HA       ASN 100   0.688  -7.648 -15.665
  830   1HB   ASN 100          2HB       ASN 100   2.988  -8.712 -14.952
  831   2HB   ASN 100          1HB       ASN 100   2.024 -10.177 -14.761
  832   1HD2  ASN 100          2HD2      ASN 100   1.575 -10.655 -18.248
  833   2HD2  ASN 100          1HD2      ASN 100   1.134 -11.166 -16.690
  834    H    GLU 101           H        GLU 101  -0.024  -9.631 -12.812
  835    HA   GLU 101           HA       GLU 101  -1.647 -11.621 -13.959
  836   1HB   GLU 101          2HB       GLU 101  -0.990 -11.238 -11.469
  837   2HB   GLU 101          1HB       GLU 101  -2.462 -10.270 -11.394
  838   1HG   GLU 101          2HG       GLU 101  -3.426 -12.293 -10.914
  839   2HG   GLU 101          1HG       GLU 101  -3.422 -12.459 -12.667
  840    H    ALA 102           H        ALA 102  -2.523  -8.265 -13.121
  841    HA   ALA 102           HA       ALA 102  -5.306  -8.609 -13.934
  842   1HB   ALA 102          2HB       ALA 102  -3.669  -6.102 -13.421
  843   2HB   ALA 102          1HB       ALA 102  -5.412  -6.131 -13.686
  844   3HB   ALA 102          3HB       ALA 102  -4.723  -6.912 -12.262
  845    H    LEU 103           HN       LEU 103  -5.385  -9.279 -16.085
  846    HA   LEU 103           HA       LEU 103  -3.988  -7.588 -18.111
  847   1HB   LEU 103          2HB       LEU 103  -4.041 -10.321 -17.873
  848   2HB   LEU 103          1HB       LEU 103  -5.352 -10.047 -19.023
  849    HG   LEU 103           HG       LEU 103  -3.591  -8.420 -20.153
  850   1HD1  LEU 103          1HD1      LEU 103  -1.926  -8.752 -18.318
  851   2HD1  LEU 103          3HD1      LEU 103  -1.817 -10.454 -18.767
  852   3HD1  LEU 103          2HD1      LEU 103  -1.296  -9.209 -19.901
  853   1HD2  LEU 103          2HD2      LEU 103  -4.583 -10.433 -21.196
  854   2HD2  LEU 103          1HD2      LEU 103  -2.865 -10.306 -21.574
  855   3HD2  LEU 103          3HD2      LEU 103  -3.415 -11.446 -20.348
   
  No H/Q in entry =         855
  Start of MODEL           5
 Raw file had  866 H/Q atoms
  Start of MODEL    5
    1   1H    ALA   1          3H        ALA   1  19.025  18.141 -18.263
    2   2H    ALA   1          2H        ALA   1  19.479  18.097 -19.900
    3   3H    ALA   1          1H        ALA   1  18.770  19.498 -19.248
    4    HA   ALA   1           HA       ALA   1  16.696  18.320 -18.879
    5   1HB   ALA   1          2HB       ALA   1  17.821  18.094 -21.689
    6   2HB   ALA   1          1HB       ALA   1  16.109  17.972 -21.282
    7   3HB   ALA   1          3HB       ALA   1  16.976  19.485 -21.008
    8    H    THR   2           H        THR   2  15.987  16.384 -18.159
    9    HA   THR   2           HA       THR   2  17.148  13.901 -19.362
   10    HB   THR   2           HB       THR   2  16.810  12.847 -17.075
   11    HG1  THR   2           HG1      THR   2  15.737  14.075 -15.761
   12   1HG2  THR   2          2HG2      THR   2  19.022  13.621 -17.948
   13   2HG2  THR   2          1HG2      THR   2  18.748  15.174 -17.158
   14   3HG2  THR   2          3HG2      THR   2  18.901  13.707 -16.191
   15    H    SER   3           H        SER   3  14.394  15.125 -17.413
   16    HA   SER   3           HA       SER   3  12.124  14.567 -17.451
   17   1HB   SER   3          2HB       SER   3  12.869  14.007 -20.336
   18   2HB   SER   3          1HB       SER   3  11.214  13.958 -19.739
   19    HG   SER   3           HG       SER   3  12.667  16.069 -20.461
   20    H    THR   4           H        THR   4  13.312  12.686 -16.106
   21    HA   THR   4           HA       THR   4  12.369  10.094 -17.272
   22    HB   THR   4           HB       THR   4  14.602  10.283 -15.246
   23    HG1  THR   4           HG1      THR   4  14.816  10.355 -18.077
   24   1HG2  THR   4          2HG2      THR   4  13.524   8.096 -15.649
   25   2HG2  THR   4          1HG2      THR   4  13.883   8.242 -17.369
   26   3HG2  THR   4          3HG2      THR   4  15.198   8.098 -16.203
   27    H    LYS   5           H        LYS   5  10.670  11.784 -15.788
   28    HA   LYS   5           HA       LYS   5  10.443  10.302 -13.196
   29   1HB   LYS   5          2HB       LYS   5  10.190  13.182 -13.862
   30   2HB   LYS   5          1HB       LYS   5   8.960  12.545 -12.771
   31   1HG   LYS   5          2HG       LYS   5  10.599  13.079 -11.229
   32   2HG   LYS   5          1HG       LYS   5  11.076  11.424 -11.606
   33   1HD   LYS   5          2HD       LYS   5  12.465  12.591 -13.530
   34   2HD   LYS   5          1HD       LYS   5  12.332  14.003 -12.482
   35   1HE   LYS   5          2HE       LYS   5  14.312  12.994 -11.726
   36   2HE   LYS   5          1HE       LYS   5  13.109  12.377 -10.593
   37   1HZ   LYS   5          1HZ       LYS   5  13.998  10.961 -13.049
   38   2HZ   LYS   5          3HZ       LYS   5  14.575  10.636 -11.488
   39   3HZ   LYS   5          2HZ       LYS   5  12.941  10.362 -11.861
   40    H    LYS   6           H        LYS   6   9.230   8.702 -14.423
   41    HA   LYS   6           HA       LYS   6   6.351   9.315 -14.551
   42   1HB   LYS   6          2HB       LYS   6   7.749   8.037 -16.924
   43   2HB   LYS   6          1HB       LYS   6   6.043   8.452 -16.799
   44   1HG   LYS   6          2HG       LYS   6   8.184  10.560 -16.551
   45   2HG   LYS   6          1HG       LYS   6   7.577  10.051 -18.125
   46   1HD   LYS   6          2HD       LYS   6   5.221  10.431 -16.892
   47   2HD   LYS   6          1HD       LYS   6   6.193  11.573 -15.965
   48   1HE   LYS   6          2HE       LYS   6   6.901  12.696 -18.012
   49   2HE   LYS   6          1HE       LYS   6   6.048  11.505 -18.993
   50   1HZ   LYS   6          3HZ       LYS   6   4.776  13.331 -17.025
   51   2HZ   LYS   6          2HZ       LYS   6   4.766  13.545 -18.709
   52   3HZ   LYS   6          1HZ       LYS   6   3.969  12.215 -18.015
   53    H    LEU   7           H        LEU   7   8.608   6.779 -15.644
   54    HA   LEU   7           HA       LEU   7   7.496   4.912 -13.612
   55   1HB   LEU   7          2HB       LEU   7   7.467   4.533 -16.606
   56   2HB   LEU   7          1HB       LEU   7   7.561   3.138 -15.531
   57    HG   LEU   7           HG       LEU   7   5.458   5.255 -15.107
   58   1HD1  LEU   7          2HD1      LEU   7   5.272   4.510 -17.458
   59   2HD1  LEU   7          1HD1      LEU   7   5.246   2.831 -16.920
   60   3HD1  LEU   7          3HD1      LEU   7   3.923   3.915 -16.490
   61   1HD2  LEU   7          1HD2      LEU   7   5.741   2.308 -14.446
   62   2HD2  LEU   7          3HD2      LEU   7   5.736   3.657 -13.311
   63   3HD2  LEU   7          2HD2      LEU   7   4.262   3.230 -14.179
   64    H    HIS   8           H        HIS   8   9.328   4.381 -12.494
   65    HA   HIS   8           HA       HIS   8  11.674   3.428 -14.034
   66   1HB   HIS   8          2HB       HIS   8  11.749   5.946 -13.108
   67   2HB   HIS   8          1HB       HIS   8  12.261   5.101 -11.649
   68    HD1  HIS   8           HD1      HIS   8  13.395   6.061 -15.048
   69    HD2  HIS   8           HD2      HIS   8  14.701   3.558 -11.981
   70    HE1  HIS   8           HE1      HIS   8  15.794   5.456 -15.590
   71    H    LYS   9           H        LYS   9  12.294   1.562 -13.246
   72    HA   LYS   9           HA       LYS   9  11.126   0.305 -10.955
   73   1HB   LYS   9          2HB       LYS   9  13.127  -1.336 -11.298
   74   2HB   LYS   9          1HB       LYS   9  11.911  -1.210 -12.568
   75   1HG   LYS   9          2HG       LYS   9  13.314  -0.017 -13.986
   76   2HG   LYS   9          1HG       LYS   9  14.289   0.613 -12.659
   77   1HD   LYS   9          2HD       LYS   9  15.721  -0.996 -13.570
   78   2HD   LYS   9          1HD       LYS   9  14.926  -1.911 -12.290
   79   1HE   LYS   9          2HE       LYS   9  13.514  -1.895 -14.896
   80   2HE   LYS   9          1HE       LYS   9  15.059  -2.745 -14.880
   81   1HZ   LYS   9          2HZ       LYS   9  14.253  -3.933 -12.868
   82   2HZ   LYS   9          1HZ       LYS   9  12.726  -3.228 -13.110
   83   3HZ   LYS   9          3HZ       LYS   9  13.367  -4.279 -14.275
   84    H    GLU  10           H        GLU  10  11.905  -0.020  -8.893
   85    HA   GLU  10           HA       GLU  10  14.564   0.847  -8.053
   86   1HB   GLU  10          2HB       GLU  10  12.193   2.590  -7.731
   87   2HB   GLU  10          1HB       GLU  10  13.098   2.312  -6.244
   88   1HG   GLU  10          2HG       GLU  10  14.775   3.655  -6.923
   89   2HG   GLU  10          1HG       GLU  10  14.894   2.821  -8.472
   90    HA   PRO  11           HA       PRO  11  13.300  -2.689  -5.682
   91   1HB   PRO  11          2HB       PRO  11  15.676  -2.264  -4.055
   92   2HB   PRO  11          1HB       PRO  11  15.292  -3.604  -5.146
   93   1HG   PRO  11          2HG       PRO  11  17.168  -1.553  -5.638
   94   2HG   PRO  11          1HG       PRO  11  16.553  -2.719  -6.817
   95   1HD   PRO  11          2HD       PRO  11  15.975   0.138  -6.619
   96   2HD   PRO  11          1HD       PRO  11  15.532  -0.998  -7.910
   97    H    ALA  12           H        ALA  12  12.249  -2.974  -3.799
   98    HA   ALA  12           HA       ALA  12  12.262  -0.766  -1.787
   99   1HB   ALA  12          3HB       ALA  12  10.256  -0.614  -3.225
  100   2HB   ALA  12          2HB       ALA  12   9.853  -2.285  -2.833
  101   3HB   ALA  12          1HB       ALA  12   9.820  -1.052  -1.575
  102    H    THR  13           H        THR  13  10.300  -2.147  -0.119
  103    HA   THR  13           HA       THR  13  11.460  -4.793   0.441
  104    HB   THR  13           HB       THR  13  12.986  -3.374   1.700
  105    HG1  THR  13           HG1      THR  13  11.046  -4.350   3.518
  106   1HG2  THR  13          2HG2      THR  13  10.813  -1.642   1.898
  107   2HG2  THR  13          1HG2      THR  13  11.057  -2.207   3.551
  108   3HG2  THR  13          3HG2      THR  13  12.382  -1.436   2.678
  109    H    LEU  14           H        LEU  14   9.496  -5.768   0.212
  110    HA   LEU  14           HA       LEU  14   6.969  -4.826   0.741
  111   1HB   LEU  14          2HB       LEU  14   6.189  -7.104   1.004
  112   2HB   LEU  14          1HB       LEU  14   7.389  -7.029  -0.271
  113    HG   LEU  14           HG       LEU  14   8.029  -8.953   0.860
  114   1HD1  LEU  14          1HD1      LEU  14   9.543  -6.783   2.330
  115   2HD1  LEU  14          3HD1      LEU  14  10.005  -8.481   2.270
  116   3HD1  LEU  14          2HD1      LEU  14   9.993  -7.520   0.794
  117   1HD2  LEU  14          2HD2      LEU  14   6.532  -7.784   3.002
  118   2HD2  LEU  14          1HD2      LEU  14   7.024  -9.464   2.790
  119   3HD2  LEU  14          3HD2      LEU  14   8.085  -8.335   3.632
  120    H    ILE  15           H        ILE  15   5.994  -3.994   2.461
  121    HA   ILE  15           HA       ILE  15   7.133  -4.588   5.128
  122    HB   ILE  15           HB       ILE  15   5.037  -2.532   4.355
  123   1HG1  ILE  15          2HG1      ILE  15   7.944  -2.029   5.031
  124   2HG1  ILE  15          1HG1      ILE  15   7.403  -2.275   3.371
  125   1HG2  ILE  15          3HG2      ILE  15   6.634  -3.002   6.888
  126   2HG2  ILE  15          2HG2      ILE  15   5.695  -1.543   6.576
  127   3HG2  ILE  15          1HG2      ILE  15   4.883  -3.102   6.703
  128   1HD1  ILE  15          1HD1      ILE  15   5.652  -0.429   3.895
  129   2HD1  ILE  15          3HD1      ILE  15   6.690  -0.041   5.266
  130   3HD1  ILE  15          2HD1      ILE  15   7.322   0.067   3.624
  131    H    LYS  16           H        LYS  16   3.872  -4.363   3.646
  132    HA   LYS  16           HA       LYS  16   2.977  -6.888   4.612
  133   1HB   LYS  16          2HB       LYS  16   3.170  -5.089   6.707
  134   2HB   LYS  16          1HB       LYS  16   1.479  -4.940   6.229
  135   1HG   LYS  16          2HG       LYS  16   2.635  -7.690   6.460
  136   2HG   LYS  16          1HG       LYS  16   2.260  -6.818   7.947
  137   1HD   LYS  16          2HD       LYS  16  -0.029  -6.685   7.449
  138   2HD   LYS  16          1HD       LYS  16   0.233  -6.956   5.725
  139   1HE   LYS  16          2HE       LYS  16   1.014  -9.102   7.672
  140   2HE   LYS  16          1HE       LYS  16  -0.684  -8.912   7.240
  141   1HZ   LYS  16          2HZ       LYS  16   1.553  -9.274   5.319
  142   2HZ   LYS  16          1HZ       LYS  16   0.441 -10.474   5.776
  143   3HZ   LYS  16          3HZ       LYS  16  -0.089  -9.114   4.913
  144    H    ALA  17           H        ALA  17   1.269  -7.373   3.307
  145    HA   ALA  17           HA       ALA  17   0.034  -5.326   1.648
  146   1HB   ALA  17          2HB       ALA  17   0.340  -7.696   0.897
  147   2HB   ALA  17          1HB       ALA  17  -0.844  -8.202   2.103
  148   3HB   ALA  17          3HB       ALA  17  -1.335  -7.158   0.768
  149    H    ILE  18           H        ILE  18  -1.154  -3.868   2.703
  150    HA   ILE  18           HA       ILE  18  -2.699  -4.309   5.062
  151    HB   ILE  18           HB       ILE  18  -2.706  -2.181   2.920
  152   1HG1  ILE  18          2HG1      ILE  18  -2.063  -1.553   5.735
  153   2HG1  ILE  18          1HG1      ILE  18  -0.957  -2.695   4.971
  154   1HG2  ILE  18          2HG2      ILE  18  -4.360  -2.326   5.465
  155   2HG2  ILE  18          1HG2      ILE  18  -4.106  -0.842   4.548
  156   3HG2  ILE  18          3HG2      ILE  18  -4.966  -2.195   3.814
  157   1HD1  ILE  18          2HD1      ILE  18  -0.792  -1.069   3.026
  158   2HD1  ILE  18          1HD1      ILE  18  -1.669   0.092   4.021
  159   3HD1  ILE  18          3HD1      ILE  18  -0.087  -0.495   4.537
  160    H    ASP  19           H        ASP  19  -3.994  -3.570   1.788
  161    HA   ASP  19           HA       ASP  19  -5.824  -5.780   1.742
  162   1HB   ASP  19          2HB       ASP  19  -6.670  -3.842   3.485
  163   2HB   ASP  19          1HB       ASP  19  -7.419  -3.297   1.985
  164    H    GLY  20           H        GLY  20  -7.718  -4.981   0.034
  165   1HA   GLY  20          2HA       GLY  20  -6.400  -4.501  -2.416
  166   2HA   GLY  20          1HA       GLY  20  -8.146  -4.398  -2.168
  167    H    ASP  21           H        ASP  21  -5.894  -2.671  -3.411
  168    HA   ASP  21           HA       ASP  21  -5.995  -0.377  -4.054
  169   1HB   ASP  21          2HB       ASP  21  -7.444   0.222  -1.466
  170   2HB   ASP  21          1HB       ASP  21  -7.291   1.254  -2.875
  171    H    THR  22           H        THR  22  -5.145  -1.536  -0.848
  172    HA   THR  22           HA       THR  22  -3.058   0.594  -0.722
  173    HB   THR  22           HB       THR  22  -3.090   0.187   1.763
  174    HG1  THR  22           HG1      THR  22  -5.517  -1.170   1.242
  175   1HG2  THR  22          1HG2      THR  22  -5.047   1.519   0.117
  176   2HG2  THR  22          3HG2      THR  22  -5.798   0.959   1.611
  177   3HG2  THR  22          2HG2      THR  22  -4.385   2.013   1.674
  178    H    VAL  23           H        VAL  23  -0.992  -0.020   0.112
  179    HA   VAL  23           HA       VAL  23  -0.343  -2.830   0.606
  180    HB   VAL  23           HB       VAL  23   1.524  -2.636  -1.253
  181   1HG1  VAL  23          2HG1      VAL  23  -0.552  -4.202  -1.042
  182   2HG1  VAL  23          1HG1      VAL  23  -1.260  -3.156  -2.272
  183   3HG1  VAL  23          3HG1      VAL  23   0.230  -4.038  -2.614
  184   1HG2  VAL  23          2HG2      VAL  23   0.721  -0.262  -1.807
  185   2HG2  VAL  23          1HG2      VAL  23   0.931  -1.353  -3.176
  186   3HG2  VAL  23          3HG2      VAL  23  -0.685  -1.024  -2.551
  187    H    LYS  24           H        LYS  24   1.074  -2.690   2.282
  188    HA   LYS  24           HA       LYS  24   2.486  -0.184   2.801
  189   1HB   LYS  24          2HB       LYS  24   1.515  -2.137   4.436
  190   2HB   LYS  24          1HB       LYS  24   3.221  -2.578   4.380
  191   1HG   LYS  24          2HG       LYS  24   3.885  -0.371   5.112
  192   2HG   LYS  24          1HG       LYS  24   2.229   0.222   4.977
  193   1HD   LYS  24          2HD       LYS  24   1.532  -1.406   6.726
  194   2HD   LYS  24          1HD       LYS  24   3.215  -1.907   6.900
  195   1HE   LYS  24          2HE       LYS  24   2.489   1.001   7.145
  196   2HE   LYS  24          1HE       LYS  24   2.253  -0.082   8.518
  197   1HZ   LYS  24          1HZ       LYS  24   4.585  -0.735   8.337
  198   2HZ   LYS  24          3HZ       LYS  24   4.801   0.352   7.052
  199   3HZ   LYS  24          2HZ       LYS  24   4.427   0.935   8.602
  200    H    LEU  25           H        LEU  25   4.304   0.277   1.730
  201    HA   LEU  25           HA       LEU  25   6.512  -1.649   1.628
  202   1HB   LEU  25          2HB       LEU  25   5.196  -2.274  -0.370
  203   2HB   LEU  25          1HB       LEU  25   5.259  -0.607  -0.934
  204    HG   LEU  25           HG       LEU  25   7.923  -1.541  -0.304
  205   1HD1  LEU  25          2HD1      LEU  25   6.146  -3.365  -1.838
  206   2HD1  LEU  25          1HD1      LEU  25   7.754  -3.080  -2.502
  207   3HD1  LEU  25          3HD1      LEU  25   7.575  -3.734  -0.874
  208   1HD2  LEU  25          2HD2      LEU  25   6.406  -0.296  -2.544
  209   2HD2  LEU  25          1HD2      LEU  25   7.921   0.211  -1.795
  210   3HD2  LEU  25          3HD2      LEU  25   7.913  -1.107  -2.969
  211    H    MET  26           H        MET  26   8.517  -0.595   1.170
  212    HA   MET  26           HA       MET  26   8.408   2.354   0.761
  213   1HB   MET  26          2HB       MET  26  10.134   2.650   2.530
  214   2HB   MET  26          1HB       MET  26   8.617   2.032   3.177
  215   1HG   MET  26          2HG       MET  26   9.504  -0.226   3.255
  216   2HG   MET  26          1HG       MET  26  10.980   0.288   2.438
  217   1HE   MET  26          1HE       MET  26   9.781  -0.925   5.498
  218   2HE   MET  26          3HE       MET  26  10.043   0.245   6.801
  219   3HE   MET  26          2HE       MET  26   8.770   0.514   5.612
  220    H    TYR  27           H        TYR  27  10.293   3.194  -0.268
  221    HA   TYR  27           HA       TYR  27  11.844   1.141  -1.724
  222   1HB   TYR  27          2HB       TYR  27  12.823   3.704  -2.444
  223   2HB   TYR  27          1HB       TYR  27  11.786   2.652  -3.398
  224    HD1  TYR  27           HD2      TYR  27  11.892   5.530  -1.107
  225    HD2  TYR  27           HD1      TYR  27   9.367   3.010  -3.500
  226    HE1  TYR  27           HE2      TYR  27  10.047   7.168  -0.880
  227    HE2  TYR  27           HE1      TYR  27   7.520   4.649  -3.273
  228    HH   TYR  27           HH       TYR  27   7.707   7.555  -2.660
  229    H    LYS  28           H        LYS  28  12.396   1.013   0.899
  230    HA   LYS  28           HA       LYS  28  14.093   1.067   2.484
  231   1HB   LYS  28          2HB       LYS  28  15.622   1.275  -0.115
  232   2HB   LYS  28          1HB       LYS  28  16.459   1.237   1.436
  233   1HG   LYS  28          2HG       LYS  28  16.393  -1.028   1.017
  234   2HG   LYS  28          1HG       LYS  28  14.836  -0.855   1.828
  235   1HD   LYS  28          2HD       LYS  28  13.973  -1.818  -0.035
  236   2HD   LYS  28          1HD       LYS  28  14.193  -0.233  -0.776
  237   1HE   LYS  28          2HE       LYS  28  16.524  -2.113  -0.722
  238   2HE   LYS  28          1HE       LYS  28  15.237  -2.407  -1.889
  239   1HZ   LYS  28          3HZ       LYS  28  15.482  -0.067  -2.603
  240   2HZ   LYS  28          2HZ       LYS  28  16.829   0.080  -1.578
  241   3HZ   LYS  28          1HZ       LYS  28  16.867  -1.001  -2.888
  242    H    GLY  29           H        GLY  29  12.872   3.243   2.797
  243   1HA   GLY  29          2HA       GLY  29  14.846   5.202   3.567
  244   2HA   GLY  29          1HA       GLY  29  13.948   5.752   2.153
  245    H    GLN  30           H        GLN  30  11.424   4.535   2.854
  246    HA   GLN  30           HA       GLN  30  10.659   5.484   5.508
  247   1HB   GLN  30          2HB       GLN  30   8.977   7.159   4.525
  248   2HB   GLN  30          1HB       GLN  30  10.667   7.658   4.548
  249   1HG   GLN  30          2HG       GLN  30  10.907   6.954   2.189
  250   2HG   GLN  30          1HG       GLN  30   9.213   6.464   2.164
  251   1HE2  GLN  30          2HE2      GLN  30   8.133   9.714   1.382
  252   2HE2  GLN  30          1HE2      GLN  30   7.847   8.042   1.324
  253    HA   PRO  31           HA       PRO  31   7.783   2.194   4.643
  254   1HB   PRO  31          2HB       PRO  31   6.236   2.999   6.944
  255   2HB   PRO  31          1HB       PRO  31   7.324   1.613   6.791
  256   1HG   PRO  31          2HG       PRO  31   7.776   4.039   8.273
  257   2HG   PRO  31          1HG       PRO  31   8.868   2.659   8.098
  258   1HD   PRO  31          2HD       PRO  31   9.130   5.272   6.915
  259   2HD   PRO  31          1HD       PRO  31  10.214   3.878   6.727
  260    H    MET  32           H        MET  32   6.387   2.640   2.958
  261    HA   MET  32           HA       MET  32   4.394   4.843   3.365
  262   1HB   MET  32          2HB       MET  32   5.882   3.991   0.877
  263   2HB   MET  32          1HB       MET  32   4.455   5.026   0.823
  264   1HG   MET  32          2HG       MET  32   6.887   5.653   2.514
  265   2HG   MET  32          1HG       MET  32   6.670   6.263   0.875
  266   1HE   MET  32          1HE       MET  32   6.961   7.006   3.904
  267   2HE   MET  32          3HE       MET  32   6.517   8.706   3.695
  268   3HE   MET  32          2HE       MET  32   5.544   7.657   4.723
  269    H    THR  33           H        THR  33   2.646   4.525   1.461
  270    HA   THR  33           HA       THR  33   1.740   1.716   1.292
  271    HB   THR  33           HB       THR  33  -0.256   3.863   1.935
  272    HG1  THR  33           HG1      THR  33   0.728   4.097   3.781
  273   1HG2  THR  33          3HG2      THR  33  -0.117   0.889   2.480
  274   2HG2  THR  33          2HG2      THR  33  -1.488   1.932   2.859
  275   3HG2  THR  33          1HG2      THR  33  -1.027   1.657   1.180
  276    H    PHE  34           H        PHE  34   1.026   1.350  -0.804
  277    HA   PHE  34           HA       PHE  34   0.952   3.758  -2.545
  278   1HB   PHE  34          2HB       PHE  34   1.272   0.836  -3.212
  279   2HB   PHE  34          1HB       PHE  34   1.313   2.154  -4.380
  280    HD1  PHE  34           HD2      PHE  34   2.992   0.778  -1.350
  281    HD2  PHE  34           HD1      PHE  34   3.265   3.475  -4.678
  282    HE1  PHE  34           HE2      PHE  34   5.387   1.158  -0.854
  283    HE2  PHE  34           HE1      PHE  34   5.662   3.854  -4.178
  284    HZ   PHE  34           HZ       PHE  34   6.724   2.694  -2.262
  285    H    ARG  35           H        ARG  35  -0.740   4.326  -3.776
  286    HA   ARG  35           HA       ARG  35  -3.091   2.574  -4.112
  287   1HB   ARG  35          2HB       ARG  35  -3.862   3.636  -2.157
  288   2HB   ARG  35          1HB       ARG  35  -3.102   5.170  -2.579
  289   1HG   ARG  35          2HG       ARG  35  -4.726   5.635  -4.252
  290   2HG   ARG  35          1HG       ARG  35  -5.315   3.975  -4.242
  291   1HD   ARG  35          2HD       ARG  35  -5.539   5.858  -1.882
  292   2HD   ARG  35          1HD       ARG  35  -6.826   5.590  -3.051
  293    HE   ARG  35           HE       ARG  35  -6.103   3.035  -2.150
  294   1HH1  ARG  35          2HH1      ARG  35  -6.292   5.759  -0.139
  295   2HH1  ARG  35          1HH1      ARG  35  -7.500   5.103   0.910
  296   1HH2  ARG  35          1HH2      ARG  35  -8.072   2.293  -1.044
  297   2HH2  ARG  35          2HH2      ARG  35  -8.507   3.145   0.400
  298    H    LEU  36           H        LEU  36  -3.835   2.856  -6.148
  299    HA   LEU  36           HA       LEU  36  -3.851   5.379  -7.569
  300   1HB   LEU  36          2HB       LEU  36  -2.153   4.565  -9.341
  301   2HB   LEU  36          1HB       LEU  36  -1.494   5.147  -7.815
  302    HG   LEU  36           HG       LEU  36  -2.109   2.215  -8.172
  303   1HD1  LEU  36          1HD1      LEU  36  -0.671   3.068 -10.074
  304   2HD1  LEU  36          3HD1      LEU  36   0.536   3.498  -8.864
  305   3HD1  LEU  36          2HD1      LEU  36   0.064   1.814  -9.078
  306   1HD2  LEU  36          3HD2      LEU  36  -0.562   3.936  -6.304
  307   2HD2  LEU  36          2HD2      LEU  36  -1.451   2.447  -5.988
  308   3HD2  LEU  36          1HD2      LEU  36   0.155   2.378  -6.705
  309    H    LEU  37           H        LEU  37  -3.053   2.740  -9.668
  310    HA   LEU  37           HA       LEU  37  -5.854   2.530 -10.518
  311   1HB   LEU  37          2HB       LEU  37  -3.221   1.548 -11.497
  312   2HB   LEU  37          1HB       LEU  37  -4.602   0.518 -11.853
  313    HG   LEU  37           HG       LEU  37  -4.113   2.229 -13.639
  314   1HD1  LEU  37          3HD1      LEU  37  -6.395   1.214 -13.190
  315   2HD1  LEU  37          2HD1      LEU  37  -6.784   2.677 -12.286
  316   3HD1  LEU  37          1HD1      LEU  37  -6.420   2.775 -14.009
  317   1HD2  LEU  37          1HD2      LEU  37  -3.572   3.980 -11.739
  318   2HD2  LEU  37          3HD2      LEU  37  -4.313   4.521 -13.245
  319   3HD2  LEU  37          2HD2      LEU  37  -5.306   4.290 -11.806
  320    H    LEU  38           H        LEU  38  -3.586   0.905  -8.455
  321    HA   LEU  38           HA       LEU  38  -4.765  -1.676  -8.192
  322   1HB   LEU  38          2HB       LEU  38  -2.991   0.086  -6.543
  323   2HB   LEU  38          1HB       LEU  38  -3.781  -1.256  -5.720
  324    HG   LEU  38           HG       LEU  38  -2.821  -2.848  -7.300
  325   1HD1  LEU  38          2HD1      LEU  38  -1.741  -0.355  -8.643
  326   2HD1  LEU  38          1HD1      LEU  38  -1.137  -1.976  -8.985
  327   3HD1  LEU  38          3HD1      LEU  38  -2.815  -1.566  -9.342
  328   1HD2  LEU  38          2HD2      LEU  38  -1.053  -0.887  -5.888
  329   2HD2  LEU  38          1HD2      LEU  38  -1.293  -2.606  -5.573
  330   3HD2  LEU  38          3HD2      LEU  38  -0.291  -2.088  -6.929
  331    H    VAL  39           H        VAL  39  -5.527   1.477  -6.785
  332    HA   VAL  39           HA       VAL  39  -7.480   0.347  -4.933
  333    HB   VAL  39           HB       VAL  39  -6.318   2.362  -4.230
  334   1HG1  VAL  39          2HG1      VAL  39  -7.297   3.388  -6.863
  335   2HG1  VAL  39          1HG1      VAL  39  -7.182   4.527  -5.525
  336   3HG1  VAL  39          3HG1      VAL  39  -5.752   3.647  -6.061
  337   1HG2  VAL  39          2HG2      VAL  39  -9.162   2.061  -4.321
  338   2HG2  VAL  39          1HG2      VAL  39  -8.193   2.895  -3.109
  339   3HG2  VAL  39          3HG2      VAL  39  -8.793   3.774  -4.514
  340    H    ASP  40           H        ASP  40  -9.195  -0.570  -5.826
  341    HA   ASP  40           HA       ASP  40 -10.429   0.399  -8.292
  342   1HB   ASP  40          2HB       ASP  40 -11.569  -1.639  -6.361
  343   2HB   ASP  40          1HB       ASP  40 -11.914  -1.476  -8.081
  344    H    THR  41           H        THR  41 -11.076   0.643  -4.821
  345    HA   THR  41           HA       THR  41 -13.717   1.832  -5.182
  346    HB   THR  41           HB       THR  41 -11.887   1.275  -2.860
  347    HG1  THR  41           HG1      THR  41 -13.207  -0.349  -3.001
  348   1HG2  THR  41          3HG2      THR  41 -14.182   3.218  -2.922
  349   2HG2  THR  41          2HG2      THR  41 -13.794   2.326  -1.452
  350   3HG2  THR  41          1HG2      THR  41 -12.597   3.402  -2.172
  351    HA   PRO  42           HA       PRO  42 -12.292   5.917  -6.100
  352   1HB   PRO  42          2HB       PRO  42 -14.685   7.076  -5.002
  353   2HB   PRO  42          1HB       PRO  42 -14.289   6.802  -6.704
  354   1HG   PRO  42          2HG       PRO  42 -16.196   5.364  -5.085
  355   2HG   PRO  42          1HG       PRO  42 -15.806   5.105  -6.790
  356   1HD   PRO  42          2HD       PRO  42 -15.104   3.436  -4.552
  357   2HD   PRO  42          1HD       PRO  42 -14.693   3.192  -6.261
  358    H    GLU  43           H        GLU  43 -11.951   8.033  -4.914
  359    HA   GLU  43           HA       GLU  43 -11.253   7.496  -2.080
  360   1HB   GLU  43          2HB       GLU  43 -10.561   9.813  -3.918
  361   2HB   GLU  43          1HB       GLU  43  -9.982   9.638  -2.262
  362   1HG   GLU  43          2HG       GLU  43  -9.563   7.411  -4.244
  363   2HG   GLU  43          1HG       GLU  43  -8.471   8.795  -4.228
  364    H    THR  44           H        THR  44 -14.057   7.840  -2.776
  365    HA   THR  44           HA       THR  44 -14.673  10.137  -1.001
  366    HB   THR  44           HB       THR  44 -16.573  10.771  -2.569
  367    HG1  THR  44           HG1      THR  44 -16.789   9.211  -4.004
  368   1HG2  THR  44          1HG2      THR  44 -14.357  11.984  -2.387
  369   2HG2  THR  44          3HG2      THR  44 -13.824  11.070  -3.799
  370   3HG2  THR  44          2HG2      THR  44 -15.188  12.182  -3.930
  371    H    LYS  45           H        LYS  45 -17.231  10.055  -0.616
  372    HA   LYS  45           HA       LYS  45 -17.791   7.362   0.391
  373   1HB   LYS  45          2HB       LYS  45 -19.361   9.956   0.463
  374   2HB   LYS  45          1HB       LYS  45 -19.941   8.452   1.180
  375   1HG   LYS  45          2HG       LYS  45 -17.205   9.501   1.872
  376   2HG   LYS  45          1HG       LYS  45 -18.632  10.142   2.686
  377   1HD   LYS  45          2HD       LYS  45 -19.106   8.132   3.739
  378   2HD   LYS  45          1HD       LYS  45 -18.331   7.169   2.481
  379   1HE   LYS  45          2HE       LYS  45 -16.113   8.014   3.245
  380   2HE   LYS  45          1HE       LYS  45 -16.921   8.878   4.553
  381   1HZ   LYS  45          3HZ       LYS  45 -17.776   6.772   5.372
  382   2HZ   LYS  45          2HZ       LYS  45 -16.995   5.941   4.112
  383   3HZ   LYS  45          1HZ       LYS  45 -16.082   6.744   5.299
  384    H    HIS  46           H        HIS  46 -18.515   5.851  -1.030
  385    HA   HIS  46           HA       HIS  46 -20.564   6.692  -3.043
  386   1HB   HIS  46          2HB       HIS  46 -19.658   4.991  -4.572
  387   2HB   HIS  46          1HB       HIS  46 -18.403   6.143  -4.123
  388    HD1  HIS  46           HD1      HIS  46 -19.442   2.570  -3.691
  389    HD2  HIS  46           HD2      HIS  46 -16.361   5.073  -2.418
  390    HE1  HIS  46           HE1      HIS  46 -17.672   1.069  -2.678
  391    HA   PRO  47           HA       PRO  47 -23.261   3.756  -1.204
  392   1HB   PRO  47          2HB       PRO  47 -24.574   3.146  -3.676
  393   2HB   PRO  47          1HB       PRO  47 -25.105   4.274  -2.421
  394   1HG   PRO  47          2HG       PRO  47 -24.050   4.904  -5.037
  395   2HG   PRO  47          1HG       PRO  47 -24.618   6.025  -3.794
  396   1HD   PRO  47          2HD       PRO  47 -21.898   5.512  -4.600
  397   2HD   PRO  47          1HD       PRO  47 -22.473   6.638  -3.355
  398    H    LYS  48           H        LYS  48 -23.479   1.479  -1.031
  399    HA   LYS  48           HA       LYS  48 -22.163  -0.212  -3.096
  400   1HB   LYS  48          2HB       LYS  48 -20.979  -1.488  -1.312
  401   2HB   LYS  48          1HB       LYS  48 -20.424   0.181  -1.423
  402   1HG   LYS  48          2HG       LYS  48 -21.994   0.771   0.442
  403   2HG   LYS  48          1HG       LYS  48 -22.385  -0.941   0.601
  404   1HD   LYS  48          2HD       LYS  48 -20.688  -0.670   2.194
  405   2HD   LYS  48          1HD       LYS  48 -19.795  -1.256   0.790
  406   1HE   LYS  48          2HE       LYS  48 -19.181   1.034   0.182
  407   2HE   LYS  48          1HE       LYS  48 -20.141   1.669   1.518
  408   1HZ   LYS  48          1HZ       LYS  48 -17.814  -0.156   1.802
  409   2HZ   LYS  48          3HZ       LYS  48 -17.777   1.519   2.064
  410   3HZ   LYS  48          2HZ       LYS  48 -18.716   0.523   3.071
  411    H    LYS  49           H        LYS  49 -22.925  -2.405  -3.098
  412    HA   LYS  49           HA       LYS  49 -25.544  -2.735  -1.709
  413   1HB   LYS  49          2HB       LYS  49 -24.356  -4.029  -4.178
  414   2HB   LYS  49          1HB       LYS  49 -25.845  -4.600  -3.423
  415   1HG   LYS  49          2HG       LYS  49 -26.634  -2.134  -3.594
  416   2HG   LYS  49          1HG       LYS  49 -25.313  -1.944  -4.748
  417   1HD   LYS  49          2HD       LYS  49 -27.238  -4.233  -5.055
  418   2HD   LYS  49          1HD       LYS  49 -27.692  -2.626  -5.622
  419   1HE   LYS  49          2HE       LYS  49 -26.020  -2.575  -7.244
  420   2HE   LYS  49          1HE       LYS  49 -25.009  -3.736  -6.385
  421   1HZ   LYS  49          1HZ       LYS  49 -27.583  -4.356  -7.733
  422   2HZ   LYS  49          3HZ       LYS  49 -26.041  -4.720  -8.338
  423   3HZ   LYS  49          2HZ       LYS  49 -26.593  -5.472  -6.919
  424    H    GLY  50           H        GLY  50 -23.367  -3.126  -0.049
  425   1HA   GLY  50          2HA       GLY  50 -22.786  -4.728   1.594
  426   2HA   GLY  50          1HA       GLY  50 -23.699  -5.938   0.693
  427    H    VAL  51           H        VAL  51 -20.586  -4.839   1.458
  428    HA   VAL  51           HA       VAL  51 -19.406  -6.498  -0.733
  429    HB   VAL  51           HB       VAL  51 -18.002  -4.246   0.692
  430   1HG1  VAL  51          2HG1      VAL  51 -17.459  -5.862  -1.805
  431   2HG1  VAL  51          1HG1      VAL  51 -16.584  -4.382  -1.411
  432   3HG1  VAL  51          3HG1      VAL  51 -16.476  -5.781  -0.343
  433   1HG2  VAL  51          3HG2      VAL  51 -19.623  -4.221  -1.863
  434   2HG2  VAL  51          2HG2      VAL  51 -19.830  -3.188  -0.449
  435   3HG2  VAL  51          1HG2      VAL  51 -18.419  -2.988  -1.489
  436    H    GLU  52           H        GLU  52 -18.702  -8.379   0.106
  437    HA   GLU  52           HA       GLU  52 -17.559  -8.374   2.873
  438   1HB   GLU  52          2HB       GLU  52 -19.744  -9.746   2.160
  439   2HB   GLU  52          1HB       GLU  52 -18.531 -10.905   1.614
  440   1HG   GLU  52          2HG       GLU  52 -17.454 -10.604   3.938
  441   2HG   GLU  52          1HG       GLU  52 -18.971  -9.834   4.405
  442    H    LYS  53           H        LYS  53 -16.034  -7.760   0.481
  443    HA   LYS  53           HA       LYS  53 -14.047  -9.968   0.641
  444   1HB   LYS  53          2HB       LYS  53 -15.323  -8.888  -1.872
  445   2HB   LYS  53          1HB       LYS  53 -13.708  -9.596  -1.907
  446   1HG   LYS  53          2HG       LYS  53 -14.774 -11.597  -0.656
  447   2HG   LYS  53          1HG       LYS  53 -16.318 -10.918  -1.172
  448   1HD   LYS  53          2HD       LYS  53 -15.437 -10.924  -3.537
  449   2HD   LYS  53          1HD       LYS  53 -14.033 -11.815  -2.947
  450   1HE   LYS  53          2HE       LYS  53 -15.509 -13.603  -2.111
  451   2HE   LYS  53          1HE       LYS  53 -16.918 -12.716  -2.691
  452   1HZ   LYS  53          2HZ       LYS  53 -14.687 -13.713  -4.382
  453   2HZ   LYS  53          1HZ       LYS  53 -16.230 -14.415  -4.264
  454   3HZ   LYS  53          3HZ       LYS  53 -16.053 -12.867  -4.938
  455    H    TYR  54           H        TYR  54 -11.896  -9.238  -0.272
  456    HA   TYR  54           HA       TYR  54 -11.294  -6.543   0.702
  457   1HB   TYR  54          2HB       TYR  54  -9.468  -8.540  -0.674
  458   2HB   TYR  54          1HB       TYR  54  -8.962  -7.120   0.240
  459    HD1  TYR  54           HD1      TYR  54 -10.485  -7.080   2.643
  460    HD2  TYR  54           HD2      TYR  54  -9.011 -10.499   0.500
  461    HE1  TYR  54           HE1      TYR  54 -10.535  -8.411   4.732
  462    HE2  TYR  54           HE2      TYR  54  -9.063 -11.830   2.590
  463    HH   TYR  54           HH       TYR  54  -8.978 -10.855   5.393
  464    H    GLY  55           H        GLY  55 -10.695  -8.186  -2.438
  465   1HA   GLY  55          2HA       GLY  55 -11.822  -6.244  -4.118
  466   2HA   GLY  55          1HA       GLY  55 -10.162  -5.718  -3.836
  467    HA   PRO  56           HA       PRO  56  -9.836 -10.134  -5.845
  468   1HB   PRO  56          2HB       PRO  56 -12.353 -10.749  -7.051
  469   2HB   PRO  56          1HB       PRO  56 -11.536 -11.607  -5.738
  470   1HG   PRO  56          2HG       PRO  56 -13.891  -9.943  -5.564
  471   2HG   PRO  56          1HG       PRO  56 -13.080 -10.820  -4.259
  472   1HD   PRO  56          2HD       PRO  56 -13.083  -7.978  -4.740
  473   2HD   PRO  56          1HD       PRO  56 -12.276  -8.864  -3.430
  474    H    GLU  57           H        GLU  57 -12.065  -7.739  -7.248
  475    HA   GLU  57           HA       GLU  57 -11.890  -8.137  -9.963
  476   1HB   GLU  57          2HB       GLU  57 -11.681  -5.527 -10.119
  477   2HB   GLU  57          1HB       GLU  57 -13.116  -6.234  -9.383
  478   1HG   GLU  57          2HG       GLU  57 -11.059  -5.914  -7.377
  479   2HG   GLU  57          1HG       GLU  57 -11.318  -4.385  -8.212
  480    H    ALA  58           H        ALA  58  -9.487  -6.032  -8.320
  481    HA   ALA  58           HA       ALA  58  -7.362  -7.236 -10.005
  482   1HB   ALA  58          2HB       ALA  58  -8.228  -5.236 -11.213
  483   2HB   ALA  58          1HB       ALA  58  -7.821  -4.245  -9.813
  484   3HB   ALA  58          3HB       ALA  58  -6.545  -5.053 -10.724
  485    H    SER  59           H        SER  59  -8.347  -6.272  -6.947
  486    HA   SER  59           HA       SER  59  -5.767  -5.266  -6.008
  487   1HB   SER  59          2HB       SER  59  -7.067  -4.425  -4.380
  488   2HB   SER  59          1HB       SER  59  -8.457  -5.262  -5.052
  489    HG   SER  59           HG       SER  59  -8.155  -6.897  -3.663
  490    H    ALA  60           H        ALA  60  -7.645  -8.291  -5.641
  491    HA   ALA  60           HA       ALA  60  -5.941  -9.664  -3.877
  492   1HB   ALA  60          1HB       ALA  60  -7.511 -10.790  -6.211
  493   2HB   ALA  60          3HB       ALA  60  -6.855 -11.739  -4.876
  494   3HB   ALA  60          2HB       ALA  60  -8.116 -10.544  -4.573
  495    H    PHE  61           H        PHE  61  -5.447  -9.030  -7.307
  496    HA   PHE  61           HA       PHE  61  -3.279 -10.980  -7.564
  497   1HB   PHE  61          2HB       PHE  61  -4.030  -8.706  -9.425
  498   2HB   PHE  61          1HB       PHE  61  -3.027 -10.101  -9.819
  499    HD1  PHE  61           HD1      PHE  61  -4.085 -12.444  -9.589
  500    HD2  PHE  61           HD2      PHE  61  -6.378  -8.812  -9.672
  501    HE1  PHE  61           HE1      PHE  61  -6.113 -13.738 -10.189
  502    HE2  PHE  61           HE2      PHE  61  -8.404 -10.108 -10.273
  503    HZ   PHE  61           HZ       PHE  61  -8.272 -12.570 -10.531
  504    H    THR  62           H        THR  62  -3.470  -7.411  -7.499
  505    HA   THR  62           HA       THR  62  -0.564  -7.124  -7.404
  506    HB   THR  62           HB       THR  62  -2.475  -4.907  -6.732
  507    HG1  THR  62           HG1      THR  62  -3.403  -5.215  -8.580
  508   1HG2  THR  62          1HG2      THR  62   0.220  -5.196  -8.050
  509   2HG2  THR  62          3HG2      THR  62  -0.734  -3.725  -8.232
  510   3HG2  THR  62          2HG2      THR  62  -0.211  -4.244  -6.630
  511    H    LYS  63           H        LYS  63  -3.156  -7.320  -5.060
  512    HA   LYS  63           HA       LYS  63  -2.005  -6.061  -2.800
  513   1HB   LYS  63          2HB       LYS  63  -4.306  -7.007  -2.829
  514   2HB   LYS  63          1HB       LYS  63  -3.626  -8.633  -2.863
  515   1HG   LYS  63          2HG       LYS  63  -2.375  -7.945  -0.705
  516   2HG   LYS  63          1HG       LYS  63  -3.515  -6.600  -0.635
  517   1HD   LYS  63          2HD       LYS  63  -5.003  -8.974  -1.193
  518   2HD   LYS  63          1HD       LYS  63  -3.934  -9.313   0.169
  519   1HE   LYS  63          2HE       LYS  63  -4.758  -7.319   1.339
  520   2HE   LYS  63          1HE       LYS  63  -5.795  -6.926  -0.033
  521   1HZ   LYS  63          1HZ       LYS  63  -5.961  -9.406   1.595
  522   2HZ   LYS  63          3HZ       LYS  63  -7.008  -8.078   1.717
  523   3HZ   LYS  63          2HZ       LYS  63  -6.971  -8.999   0.290
  524    H    LYS  64           H        LYS  64  -1.294  -9.091  -4.378
  525    HA   LYS  64           HA       LYS  64   0.523 -10.047  -2.313
  526   1HB   LYS  64          2HB       LYS  64  -0.384 -10.953  -5.041
  527   2HB   LYS  64          1HB       LYS  64   1.076 -11.652  -4.343
  528   1HG   LYS  64          2HG       LYS  64  -0.215 -13.031  -3.131
  529   2HG   LYS  64          1HG       LYS  64  -0.831 -11.622  -2.268
  530   1HD   LYS  64          2HD       LYS  64  -2.721 -11.455  -3.605
  531   2HD   LYS  64          1HD       LYS  64  -1.972 -12.311  -4.953
  532   1HE   LYS  64          2HE       LYS  64  -2.877 -14.240  -4.232
  533   2HE   LYS  64          1HE       LYS  64  -2.009 -14.077  -2.706
  534   1HZ   LYS  64          2HZ       LYS  64  -4.634 -12.839  -3.342
  535   2HZ   LYS  64          1HZ       LYS  64  -4.396 -14.204  -2.359
  536   3HZ   LYS  64          3HZ       LYS  64  -3.799 -12.694  -1.868
  537    H    MET  65           H        MET  65   2.389 -10.704  -4.853
  538    HA   MET  65           HA       MET  65   4.402  -9.706  -5.602
  539   1HB   MET  65          2HB       MET  65   2.833  -7.141  -5.825
  540   2HB   MET  65          1HB       MET  65   4.009  -7.812  -6.949
  541   1HG   MET  65          2HG       MET  65   1.139  -8.646  -6.516
  542   2HG   MET  65          1HG       MET  65   1.907  -8.120  -8.011
  543   1HE   MET  65          1HE       MET  65   0.485 -10.000  -8.831
  544   2HE   MET  65          3HE       MET  65   1.945 -10.085  -9.826
  545   3HE   MET  65          2HE       MET  65   1.211 -11.561  -9.204
  546    H    LEU  66           H        LEU  66   3.672  -9.552  -2.733
  547    HA   LEU  66           HA       LEU  66   5.701  -7.729  -1.762
  548   1HB   LEU  66          2HB       LEU  66   3.008  -6.735  -2.076
  549   2HB   LEU  66          1HB       LEU  66   3.363  -6.874  -0.358
  550    HG   LEU  66           HG       LEU  66   5.668  -5.759  -1.622
  551   1HD1  LEU  66          3HD1      LEU  66   3.032  -4.757  -2.629
  552   2HD1  LEU  66          2HD1      LEU  66   4.279  -3.566  -2.264
  553   3HD1  LEU  66          1HD1      LEU  66   4.589  -4.831  -3.452
  554   1HD2  LEU  66          3HD2      LEU  66   4.593  -5.486   0.737
  555   2HD2  LEU  66          2HD2      LEU  66   5.375  -4.080   0.014
  556   3HD2  LEU  66          1HD2      LEU  66   3.618  -4.226  -0.021
  557    H    GLU  67           H        GLU  67   2.724  -9.594  -1.027
  558    HA   GLU  67           HA       GLU  67   3.642 -10.224   1.688
  559   1HB   GLU  67          2HB       GLU  67   1.199 -10.428   0.189
  560   2HB   GLU  67          1HB       GLU  67   1.570 -11.999   0.898
  561   1HG   GLU  67          2HG       GLU  67   1.710  -9.444   2.507
  562   2HG   GLU  67          1HG       GLU  67   0.221 -10.377   2.360
  563    H    ASN  68           H        ASN  68   5.131 -11.213  -0.935
  564    HA   ASN  68           HA       ASN  68   5.806 -13.834   0.205
  565   1HB   ASN  68          2HB       ASN  68   5.321 -15.101  -1.840
  566   2HB   ASN  68          1HB       ASN  68   3.852 -14.354  -1.215
  567   1HD2  ASN  68          2HD2      ASN  68   3.621 -11.992  -3.935
  568   2HD2  ASN  68          1HD2      ASN  68   3.242 -12.181  -2.292
  569    H    ALA  69           H        ALA  69   6.345 -11.482  -2.431
  570    HA   ALA  69           HA       ALA  69   8.945 -12.632  -3.147
  571   1HB   ALA  69          2HB       ALA  69   7.492 -10.110  -3.945
  572   2HB   ALA  69          1HB       ALA  69   9.107 -10.509  -4.533
  573   3HB   ALA  69          3HB       ALA  69   7.744 -11.565  -4.908
  574    H    LYS  70           H        LYS  70  10.740 -10.778  -3.368
  575    HA   LYS  70           HA       LYS  70  10.975  -9.300  -0.786
  576   1HB   LYS  70          2HB       LYS  70  12.840 -11.405  -1.874
  577   2HB   LYS  70          1HB       LYS  70  13.467 -10.101  -0.863
  578   1HG   LYS  70          2HG       LYS  70  11.869 -10.696   0.915
  579   2HG   LYS  70          1HG       LYS  70  11.220 -11.990  -0.094
  580   1HD   LYS  70          2HD       LYS  70  13.672 -12.844  -0.198
  581   2HD   LYS  70          1HD       LYS  70  13.937 -11.796   1.197
  582   1HE   LYS  70          2HE       LYS  70  11.867 -12.953   2.222
  583   2HE   LYS  70          1HE       LYS  70  12.086 -14.169   0.963
  584   1HZ   LYS  70          2HZ       LYS  70  14.370 -14.479   1.739
  585   2HZ   LYS  70          1HZ       LYS  70  14.104 -13.356   2.985
  586   3HZ   LYS  70          3HZ       LYS  70  13.241 -14.815   2.963
  587    H    LYS  71           H        LYS  71  12.324  -9.950  -4.016
  588    HA   LYS  71           HA       LYS  71  13.684  -7.339  -4.130
  589   1HB   LYS  71          2HB       LYS  71  13.229  -9.590  -6.102
  590   2HB   LYS  71          1HB       LYS  71  13.881  -8.039  -6.631
  591   1HG   LYS  71          2HG       LYS  71  15.892  -8.957  -6.091
  592   2HG   LYS  71          1HG       LYS  71  15.439  -8.539  -4.438
  593   1HD   LYS  71          2HD       LYS  71  14.283 -11.084  -5.338
  594   2HD   LYS  71          1HD       LYS  71  16.047 -11.087  -5.331
  595   1HE   LYS  71          2HE       LYS  71  14.819  -9.838  -2.954
  596   2HE   LYS  71          1HE       LYS  71  14.499 -11.564  -3.122
  597   1HZ   LYS  71          2HZ       LYS  71  17.188 -10.302  -3.228
  598   2HZ   LYS  71          1HZ       LYS  71  16.543 -11.124  -1.888
  599   3HZ   LYS  71          3HZ       LYS  71  16.858 -11.966  -3.326
  600    H    ILE  72           H        ILE  72  12.836  -5.488  -5.241
  601    HA   ILE  72           HA       ILE  72  10.186  -5.796  -6.528
  602    HB   ILE  72           HB       ILE  72  10.749  -3.926  -4.202
  603   1HG1  ILE  72          2HG1      ILE  72   8.568  -5.998  -4.353
  604   2HG1  ILE  72          1HG1      ILE  72  10.195  -6.458  -3.860
  605   1HG2  ILE  72          3HG2      ILE  72   8.357  -4.164  -6.037
  606   2HG2  ILE  72          2HG2      ILE  72   8.279  -3.391  -4.455
  607   3HG2  ILE  72          1HG2      ILE  72   9.327  -2.728  -5.707
  608   1HD1  ILE  72          3HD1      ILE  72   9.382  -4.048  -2.487
  609   2HD1  ILE  72          2HD1      ILE  72   8.196  -5.329  -2.238
  610   3HD1  ILE  72          1HD1      ILE  72   9.885  -5.596  -1.811
  611    H    GLU  73           H        GLU  73   9.510  -3.653  -7.545
  612    HA   GLU  73           HA       GLU  73  11.787  -1.895  -8.220
  613   1HB   GLU  73          2HB       GLU  73  10.230  -3.600 -10.183
  614   2HB   GLU  73          1HB       GLU  73  10.981  -2.089 -10.694
  615   1HG   GLU  73          2HG       GLU  73  12.919  -3.206 -10.944
  616   2HG   GLU  73          1HG       GLU  73  12.951  -3.445  -9.198
  617    H    VAL  74           H        VAL  74  10.272  -0.683  -6.714
  618    HA   VAL  74           HA       VAL  74   7.607   0.025  -7.345
  619    HB   VAL  74           HB       VAL  74   8.964   2.357  -6.298
  620   1HG1  VAL  74          1HG1      VAL  74   6.560   1.465  -6.027
  621   2HG1  VAL  74          3HG1      VAL  74   7.238   0.471  -4.737
  622   3HG1  VAL  74          2HG1      VAL  74   7.333   2.230  -4.639
  623   1HG2  VAL  74          1HG2      VAL  74   9.703  -0.292  -5.079
  624   2HG2  VAL  74          3HG2      VAL  74  10.729   1.108  -5.390
  625   3HG2  VAL  74          2HG2      VAL  74   9.558   1.149  -4.077
  626    H    GLU  75           H        GLU  75   7.057   0.653  -9.388
  627    HA   GLU  75           HA       GLU  75   8.783   2.562 -10.847
  628   1HB   GLU  75          2HB       GLU  75   6.971   0.501 -11.604
  629   2HB   GLU  75          1HB       GLU  75   6.314   2.017 -12.216
  630   1HG   GLU  75          2HG       GLU  75   7.827   1.976 -13.880
  631   2HG   GLU  75          1HG       GLU  75   9.115   2.089 -12.683
  632    H    PHE  76           H        PHE  76   8.492   4.502  -9.666
  633    HA   PHE  76           HA       PHE  76   5.773   5.674  -9.918
  634   1HB   PHE  76          2HB       PHE  76   5.853   6.622  -7.730
  635   2HB   PHE  76          1HB       PHE  76   6.286   4.928  -7.556
  636    HD1  PHE  76           HD2      PHE  76   8.752   4.301  -7.382
  637    HD2  PHE  76           HD1      PHE  76   7.324   8.337  -7.025
  638    HE1  PHE  76           HE2      PHE  76  10.860   4.947  -6.252
  639    HE2  PHE  76           HE1      PHE  76   9.430   8.982  -5.891
  640    HZ   PHE  76           HZ       PHE  76  11.202   7.287  -5.507
  641    H    ASP  77           H        ASP  77   5.749   7.567 -10.897
  642    HA   ASP  77           HA       ASP  77   8.052   8.776 -12.067
  643   1HB   ASP  77          2HB       ASP  77   6.522  10.502 -12.817
  644   2HB   ASP  77          1HB       ASP  77   5.677   8.961 -12.898
  645    H    LYS  78           H        LYS  78   7.727  11.532 -11.632
  646    HA   LYS  78           HA       LYS  78   9.402  12.126  -9.474
  647   1HB   LYS  78          2HB       LYS  78   8.459  13.659 -11.375
  648   2HB   LYS  78          1HB       LYS  78   7.182  14.020 -10.216
  649   1HG   LYS  78          2HG       LYS  78   8.544  15.326  -8.970
  650   2HG   LYS  78          1HG       LYS  78   9.847  14.139  -9.012
  651   1HD   LYS  78          2HD       LYS  78  10.643  16.113 -10.145
  652   2HD   LYS  78          1HD       LYS  78  10.337  14.891 -11.377
  653   1HE   LYS  78          2HE       LYS  78   7.939  16.441 -10.845
  654   2HE   LYS  78          1HE       LYS  78   9.280  17.491 -11.300
  655   1HZ   LYS  78          1HZ       LYS  78   9.670  16.008 -13.220
  656   2HZ   LYS  78          3HZ       LYS  78   8.266  15.147 -12.813
  657   3HZ   LYS  78          2HZ       LYS  78   8.157  16.780 -13.267
  658    H    GLY  79           H        GLY  79   9.059  12.699  -7.294
  659   1HA   GLY  79          2HA       GLY  79   7.261  11.339  -5.714
  660   2HA   GLY  79          1HA       GLY  79   7.949  12.887  -5.229
  661    H    GLN  80           H        GLN  80   5.120  11.262  -6.291
  662    HA   GLN  80           HA       GLN  80   3.626  13.664  -6.995
  663   1HB   GLN  80          2HB       GLN  80   1.835  12.230  -7.506
  664   2HB   GLN  80          1HB       GLN  80   3.238  11.228  -7.851
  665   1HG   GLN  80          2HG       GLN  80   1.884  11.157  -5.147
  666   2HG   GLN  80          1HG       GLN  80   1.318  10.168  -6.486
  667   1HE2  GLN  80          2HE2      GLN  80   4.065   7.906  -6.332
  668   2HE2  GLN  80          1HE2      GLN  80   2.754   8.440  -7.271
  669    H    ARG  81           H        ARG  81   3.872  11.481  -4.218
  670    HA   ARG  81           HA       ARG  81   2.701  11.562  -2.145
  671   1HB   ARG  81          2HB       ARG  81   3.799  13.342  -0.799
  672   2HB   ARG  81          1HB       ARG  81   4.934  12.452  -1.808
  673   1HG   ARG  81          2HG       ARG  81   5.616  14.411  -2.674
  674   2HG   ARG  81          1HG       ARG  81   4.026  14.593  -3.406
  675   1HD   ARG  81          2HD       ARG  81   3.701  15.295  -0.692
  676   2HD   ARG  81          1HD       ARG  81   5.193  16.075  -1.217
  677    HE   ARG  81           HE       ARG  81   3.414  16.635  -3.263
  678   1HH1  ARG  81          2HH1      ARG  81   1.279  16.455  -1.150
  679   2HH1  ARG  81          1HH1      ARG  81   1.213  18.084  -0.568
  680   1HH2  ARG  81          1HH2      ARG  81   4.272  18.983  -1.951
  681   2HH2  ARG  81          2HH2      ARG  81   2.912  19.519  -1.022
  682    H    THR  82           H        THR  82   0.717  12.249  -3.830
  683    HA   THR  82           HA       THR  82  -0.830  14.207  -2.260
  684    HB   THR  82           HB       THR  82   0.233  14.750  -4.931
  685    HG1  THR  82           HG1      THR  82   1.041  16.161  -3.609
  686   1HG2  THR  82          2HG2      THR  82  -2.544  15.498  -4.053
  687   2HG2  THR  82          1HG2      THR  82  -1.670  16.436  -5.262
  688   3HG2  THR  82          3HG2      THR  82  -2.057  14.744  -5.570
  689    H    ASP  83           H        ASP  83  -2.853  13.509  -2.156
  690    HA   ASP  83           HA       ASP  83  -4.756  12.747  -3.906
  691   1HB   ASP  83          2HB       ASP  83  -3.465  11.097  -5.057
  692   2HB   ASP  83          1HB       ASP  83  -2.853  10.411  -3.555
  693    H    LYS  84           H        LYS  84  -3.593  10.272  -1.629
  694    HA   LYS  84           HA       LYS  84  -5.870  10.941   0.168
  695   1HB   LYS  84          2HB       LYS  84  -5.339   8.520  -0.833
  696   2HB   LYS  84          1HB       LYS  84  -4.198   8.469   0.509
  697   1HG   LYS  84          2HG       LYS  84  -6.927   9.448   1.159
  698   2HG   LYS  84          1HG       LYS  84  -6.794   7.736   0.756
  699   1HD   LYS  84          2HD       LYS  84  -6.168   7.432   2.909
  700   2HD   LYS  84          1HD       LYS  84  -4.627   8.147   2.436
  701   1HE   LYS  84          2HE       LYS  84  -5.695  10.422   2.915
  702   2HE   LYS  84          1HE       LYS  84  -7.006   9.531   3.688
  703   1HZ   LYS  84          2HZ       LYS  84  -4.146   9.206   4.408
  704   2HZ   LYS  84          1HZ       LYS  84  -5.208  10.253   5.220
  705   3HZ   LYS  84          3HZ       LYS  84  -5.493   8.582   5.233
  706    H    TYR  85           H        TYR  85  -4.696  12.769   1.031
  707    HA   TYR  85           HA       TYR  85  -3.367  13.800   2.662
  708   1HB   TYR  85          2HB       TYR  85  -3.496  12.447   4.486
  709   2HB   TYR  85          1HB       TYR  85  -3.493  10.995   3.502
  710    HD1  TYR  85           HD1      TYR  85  -1.382   9.845   2.956
  711    HD2  TYR  85           HD2      TYR  85  -1.443  13.365   5.419
  712    HE1  TYR  85           HE1      TYR  85   0.935   9.368   3.694
  713    HE2  TYR  85           HE2      TYR  85   0.875  12.888   6.155
  714    HH   TYR  85           HH       TYR  85   2.301  10.271   6.162
  715    H    GLY  86           H        GLY  86  -2.536  12.589  -0.099
  716   1HA   GLY  86          2HA       GLY  86  -0.705  12.897  -1.496
  717   2HA   GLY  86          1HA       GLY  86   0.173  13.650  -0.165
  718    H    ARG  87           H        ARG  87  -1.205  10.477  -0.988
  719    HA   ARG  87           HA       ARG  87   0.952   9.076   0.422
  720   1HB   ARG  87          2HB       ARG  87  -1.692   8.523  -0.036
  721   2HB   ARG  87          1HB       ARG  87  -0.902   7.520  -1.253
  722   1HG   ARG  87          2HG       ARG  87   0.421   6.398   0.407
  723   2HG   ARG  87          1HG       ARG  87  -0.057   7.551   1.653
  724   1HD   ARG  87          2HD       ARG  87  -1.381   5.557   1.969
  725   2HD   ARG  87          1HD       ARG  87  -2.440   6.804   1.320
  726    HE   ARG  87           HE       ARG  87  -1.472   5.427  -0.923
  727   1HH1  ARG  87          1HH2      ARG  87  -4.292   5.499   0.567
  728   2HH1  ARG  87          2HH2      ARG  87  -4.651   3.806   0.524
  729   1HH2  ARG  87          2HH1      ARG  87  -1.429   2.879  -0.365
  730   2HH2  ARG  87          1HH1      ARG  87  -3.024   2.323  -0.011
  731    H    VAL  88           H        VAL  88   1.927   7.143  -0.797
  732    HA   VAL  88           HA       VAL  88   3.247   8.200  -3.187
  733    HB   VAL  88           HB       VAL  88   3.558   5.463  -1.939
  734   1HG1  VAL  88          3HG1      VAL  88   5.390   7.201  -3.628
  735   2HG1  VAL  88          2HG1      VAL  88   5.822   5.630  -2.953
  736   3HG1  VAL  88          1HG1      VAL  88   4.554   5.748  -4.174
  737   1HG2  VAL  88          2HG2      VAL  88   4.840   8.118  -1.230
  738   2HG2  VAL  88          1HG2      VAL  88   3.959   7.027  -0.160
  739   3HG2  VAL  88          3HG2      VAL  88   5.546   6.567  -0.775
  740    H    LEU  89           H        LEU  89   1.372   8.233  -4.613
  741    HA   LEU  89           HA       LEU  89  -0.083   5.814  -5.270
  742   1HB   LEU  89          2HB       LEU  89   0.267   8.153  -7.150
  743   2HB   LEU  89          1HB       LEU  89  -1.101   7.054  -7.023
  744    HG   LEU  89           HG       LEU  89  -0.305   9.275  -5.138
  745   1HD1  LEU  89          3HD1      LEU  89  -2.117   9.010  -7.271
  746   2HD1  LEU  89          2HD1      LEU  89  -3.104   8.955  -5.810
  747   3HD1  LEU  89          1HD1      LEU  89  -2.040  10.330  -6.104
  748   1HD2  LEU  89          1HD2      LEU  89  -0.967   6.927  -4.069
  749   2HD2  LEU  89          3HD2      LEU  89  -1.641   8.424  -3.430
  750   3HD2  LEU  89          2HD2      LEU  89  -2.593   7.428  -4.529
  751    H    ALA  90           H        ALA  90   1.522   4.206  -5.703
  752    HA   ALA  90           HA       ALA  90   2.613   4.346  -8.433
  753   1HB   ALA  90          1HB       ALA  90   4.366   5.412  -7.074
  754   2HB   ALA  90          3HB       ALA  90   4.422   3.991  -6.032
  755   3HB   ALA  90          2HB       ALA  90   4.914   3.865  -7.720
  756    H    TYR  91           H        TYR  91   3.246   2.325  -9.243
  757    HA   TYR  91           HA       TYR  91   1.889   0.031  -8.041
  758   1HB   TYR  91          2HB       TYR  91   3.684   0.183 -10.475
  759   2HB   TYR  91          1HB       TYR  91   2.672  -1.189 -10.027
  760    HD1  TYR  91           HD1      TYR  91   0.187  -0.967 -10.022
  761    HD2  TYR  91           HD2      TYR  91   2.758   2.140 -11.498
  762    HE1  TYR  91           HE1      TYR  91  -1.749   0.090 -11.155
  763    HE2  TYR  91           HE2      TYR  91   0.829   3.196 -12.631
  764    HH   TYR  91           HH       TYR  91  -1.796   3.162 -12.220
  765    H    ILE  92           H        ILE  92   3.072  -2.067  -7.761
  766    HA   ILE  92           HA       ILE  92   5.922  -1.743  -6.932
  767    HB   ILE  92           HB       ILE  92   4.070  -3.327  -5.168
  768   1HG1  ILE  92          2HG1      ILE  92   3.036  -1.029  -5.484
  769   2HG1  ILE  92          1HG1      ILE  92   3.488  -1.415  -3.825
  770   1HG2  ILE  92          3HG2      ILE  92   6.714  -1.924  -4.948
  771   2HG2  ILE  92          2HG2      ILE  92   5.777  -2.260  -3.492
  772   3HG2  ILE  92          1HG2      ILE  92   6.293  -3.586  -4.533
  773   1HD1  ILE  92          2HD1      ILE  92   5.644  -0.161  -5.380
  774   2HD1  ILE  92          1HD1      ILE  92   4.233   0.871  -5.157
  775   3HD1  ILE  92          3HD1      ILE  92   5.070   0.206  -3.756
  776    H    TYR  93           H        TYR  93   6.712  -3.174  -8.514
  777    HA   TYR  93           HA       TYR  93   5.399  -5.855  -8.683
  778   1HB   TYR  93          2HB       TYR  93   7.594  -5.192 -10.569
  779   2HB   TYR  93          1HB       TYR  93   6.079  -6.040 -10.857
  780    HD1  TYR  93           HD2      TYR  93   3.905  -4.486 -10.458
  781    HD2  TYR  93           HD1      TYR  93   7.827  -3.133 -11.526
  782    HE1  TYR  93           HE2      TYR  93   2.942  -2.400 -11.368
  783    HE2  TYR  93           HE1      TYR  93   6.871  -1.049 -12.434
  784    HH   TYR  93           HH       TYR  93   3.748  -0.651 -13.226
  785    H    ALA  94           H        ALA  94   6.343  -7.427  -7.556
  786    HA   ALA  94           HA       ALA  94   8.989  -7.092  -6.452
  787   1HB   ALA  94          3HB       ALA  94   6.723  -8.486  -5.690
  788   2HB   ALA  94          2HB       ALA  94   7.811  -9.763  -6.233
  789   3HB   ALA  94          1HB       ALA  94   8.319  -8.654  -4.959
  790    H    ASP  95           H        ASP  95  10.773  -7.654  -7.477
  791    HA   ASP  95           HA       ASP  95  12.260  -8.594  -9.032
  792   1HB   ASP  95          2HB       ASP  95  11.126 -10.653  -7.672
  793   2HB   ASP  95          1HB       ASP  95  10.633 -11.066  -9.314
  794    H    GLY  96           H        GLY  96   9.961  -7.045 -10.040
  795   1HA   GLY  96          2HA       GLY  96   9.624  -6.436 -12.376
  796   2HA   GLY  96          1HA       GLY  96   9.876  -8.128 -12.817
  797    H    LYS  97           H        LYS  97   8.249  -9.340 -10.902
  798    HA   LYS  97           HA       LYS  97   6.114 -10.141 -10.692
  799   1HB   LYS  97          2HB       LYS  97   6.243  -7.686  -9.540
  800   2HB   LYS  97          1HB       LYS  97   4.892  -7.457 -10.645
  801   1HG   LYS  97          2HG       LYS  97   3.938  -8.307  -8.637
  802   2HG   LYS  97          1HG       LYS  97   3.966  -9.662  -9.764
  803   1HD   LYS  97          2HD       LYS  97   6.443  -9.418  -8.215
  804   2HD   LYS  97          1HD       LYS  97   5.029  -9.684  -7.204
  805   1HE   LYS  97          2HE       LYS  97   4.768 -11.815  -7.929
  806   2HE   LYS  97          1HE       LYS  97   5.074 -11.372  -9.607
  807   1HZ   LYS  97          3HZ       LYS  97   7.442 -11.288  -9.109
  808   2HZ   LYS  97          2HZ       LYS  97   7.136 -11.740  -7.500
  809   3HZ   LYS  97          1HZ       LYS  97   6.803 -12.821  -8.768
  810    H    MET  98           H        MET  98   4.828  -7.248 -12.317
  811    HA   MET  98           HA       MET  98   4.676  -8.264 -14.960
  812   1HB   MET  98          2HB       MET  98   2.439  -9.288 -14.928
  813   2HB   MET  98          1HB       MET  98   3.531 -10.155 -13.851
  814   1HG   MET  98          2HG       MET  98   2.679  -8.797 -11.938
  815   2HG   MET  98          1HG       MET  98   1.514  -8.041 -13.025
  816   1HE   MET  98          2HE       MET  98  -0.745  -8.643 -12.541
  817   2HE   MET  98          1HE       MET  98  -1.229 -10.070 -11.630
  818   3HE   MET  98          3HE       MET  98  -0.068  -8.928 -10.939
  819    H    VAL  99           H        VAL  99   2.850  -6.594 -12.387
  820    HA   VAL  99           HA       VAL  99   0.988  -5.173 -13.907
  821    HB   VAL  99           HB       VAL  99   2.473  -4.231 -11.432
  822   1HG1  VAL  99          2HG1      VAL  99  -0.068  -3.245 -12.747
  823   2HG1  VAL  99          1HG1      VAL  99   0.450  -2.796 -11.121
  824   3HG1  VAL  99          3HG1      VAL  99   1.424  -2.333 -12.516
  825   1HG2  VAL  99          2HG2      VAL  99  -0.100  -5.759 -11.891
  826   2HG2  VAL  99          1HG2      VAL  99   1.317  -6.289 -10.985
  827   3HG2  VAL  99          3HG2      VAL  99   0.301  -4.993 -10.354
  828    H    ASN 100           H        ASN 100   4.447  -4.578 -13.660
  829    HA   ASN 100           HA       ASN 100   4.565  -1.911 -14.633
  830   1HB   ASN 100          2HB       ASN 100   6.841  -2.455 -15.392
  831   2HB   ASN 100          1HB       ASN 100   6.550  -3.152 -13.804
  832   1HD2  ASN 100          2HD2      ASN 100   7.473  -5.587 -16.879
  833   2HD2  ASN 100          1HD2      ASN 100   7.524  -3.896 -17.014
  834    H    GLU 101           H        GLU 101   4.363  -4.996 -16.414
  835    HA   GLU 101           HA       GLU 101   4.351  -3.673 -19.022
  836   1HB   GLU 101          2HB       GLU 101   5.249  -6.011 -18.561
  837   2HB   GLU 101          1HB       GLU 101   3.572  -6.532 -18.406
  838   1HG   GLU 101          2HG       GLU 101   3.946  -4.937 -20.807
  839   2HG   GLU 101          1HG       GLU 101   5.044  -6.316 -20.788
  840    H    ALA 102           H        ALA 102   1.959  -4.958 -16.755
  841    HA   ALA 102           HA       ALA 102  -0.330  -5.172 -18.338
  842   1HB   ALA 102          2HB       ALA 102  -0.210  -5.651 -15.884
  843   2HB   ALA 102          1HB       ALA 102  -0.237  -3.913 -15.581
  844   3HB   ALA 102          3HB       ALA 102  -1.625  -4.699 -16.333
  845    H    LEU 103           HN       LEU 103  -1.356  -3.767 -19.646
  846    HA   LEU 103           HA       LEU 103  -0.681  -0.902 -19.561
  847   1HB   LEU 103          2HB       LEU 103  -2.499  -2.479 -21.414
  848   2HB   LEU 103          1HB       LEU 103  -2.077  -0.779 -21.618
  849    HG   LEU 103           HG       LEU 103   0.396  -1.979 -21.303
  850   1HD1  LEU 103          2HD1      LEU 103  -1.466  -3.814 -22.833
  851   2HD1  LEU 103          1HD1      LEU 103   0.287  -3.845 -23.035
  852   3HD1  LEU 103          3HD1      LEU 103  -0.427  -4.226 -21.468
  853   1HD2  LEU 103          1HD2      LEU 103  -1.158  -1.383 -23.843
  854   2HD2  LEU 103          3HD2      LEU 103  -0.154  -0.248 -22.941
  855   3HD2  LEU 103          2HD2      LEU 103   0.589  -1.616 -23.767
   
  No H/Q in entry =         855
  Start of MODEL           6
 Raw file had  866 H/Q atoms
  Start of MODEL    6
    1   1H    ALA   1          3H        ALA   1   5.634  20.935 -17.275
    2   2H    ALA   1          2H        ALA   1   6.023  21.488 -18.834
    3   3H    ALA   1          1H        ALA   1   5.109  20.070 -18.637
    4    HA   ALA   1           HA       ALA   1   7.370  19.506 -19.218
    5   1HB   ALA   1          2HB       ALA   1   8.052  21.052 -16.697
    6   2HB   ALA   1          1HB       ALA   1   9.195  20.114 -17.658
    7   3HB   ALA   1          3HB       ALA   1   8.433  21.549 -18.345
    8    H    THR   2           H        THR   2   7.373  17.359 -18.788
    9    HA   THR   2           HA       THR   2   7.223  16.414 -15.992
   10    HB   THR   2           HB       THR   2   4.857  16.547 -16.773
   11    HG1  THR   2           HG1      THR   2   4.970  14.960 -15.379
   12   1HG2  THR   2          2HG2      THR   2   5.660  15.970 -19.216
   13   2HG2  THR   2          1HG2      THR   2   5.412  14.306 -18.688
   14   3HG2  THR   2          3HG2      THR   2   4.068  15.448 -18.664
   15    H    SER   3           H        SER   3   9.403  16.384 -17.784
   16    HA   SER   3           HA       SER   3   9.565  13.585 -18.762
   17   1HB   SER   3          2HB       SER   3  11.280  16.032 -19.238
   18   2HB   SER   3          1HB       SER   3  11.754  14.422 -19.772
   19    HG   SER   3           HG       SER   3   9.667  16.075 -20.638
   20    H    THR   4           H        THR   4   9.537  13.897 -15.960
   21    HA   THR   4           HA       THR   4  12.266  12.921 -15.285
   22    HB   THR   4           HB       THR   4  12.153  14.223 -13.127
   23    HG1  THR   4           HG1      THR   4  10.131  15.679 -14.477
   24   1HG2  THR   4          1HG2      THR   4  13.453  14.957 -15.157
   25   2HG2  THR   4          3HG2      THR   4  12.082  15.977 -15.594
   26   3HG2  THR   4          2HG2      THR   4  12.963  16.276 -14.096
   27    H    LYS   5           H        LYS   5   8.935  13.403 -14.058
   28    HA   LYS   5           HA       LYS   5   9.204  10.921 -12.436
   29   1HB   LYS   5          2HB       LYS   5   6.792  12.739 -12.483
   30   2HB   LYS   5          1HB       LYS   5   7.324  11.663 -11.196
   31   1HG   LYS   5          2HG       LYS   5   8.880  14.104 -12.099
   32   2HG   LYS   5          1HG       LYS   5   7.759  14.102 -10.739
   33   1HD   LYS   5          2HD       LYS   5   9.089  12.305  -9.663
   34   2HD   LYS   5          1HD       LYS   5  10.231  12.365 -11.006
   35   1HE   LYS   5          2HE       LYS   5  11.324  13.866  -9.677
   36   2HE   LYS   5          1HE       LYS   5  10.138  14.999 -10.321
   37   1HZ   LYS   5          1HZ       LYS   5   9.764  13.413  -7.838
   38   2HZ   LYS   5          3HZ       LYS   5  10.291  15.025  -7.874
   39   3HZ   LYS   5          2HZ       LYS   5   8.737  14.629  -8.433
   40    H    LYS   6           H        LYS   6   8.563   9.054 -13.457
   41    HA   LYS   6           HA       LYS   6   6.053   9.133 -14.997
   42   1HB   LYS   6          2HB       LYS   6   7.021   7.897 -16.920
   43   2HB   LYS   6          1HB       LYS   6   7.688   9.513 -16.744
   44   1HG   LYS   6          2HG       LYS   6   9.058   7.029 -15.676
   45   2HG   LYS   6          1HG       LYS   6   9.379   7.703 -17.264
   46   1HD   LYS   6          2HD       LYS   6   9.586   9.917 -15.613
   47   2HD   LYS   6          1HD       LYS   6  10.294   8.629 -14.639
   48   1HE   LYS   6          2HE       LYS   6  12.115   8.478 -15.975
   49   2HE   LYS   6          1HE       LYS   6  11.139   8.519 -17.443
   50   1HZ   LYS   6          1HZ       LYS   6  10.877  10.969 -16.992
   51   2HZ   LYS   6          3HZ       LYS   6  12.107  10.808 -15.835
   52   3HZ   LYS   6          2HZ       LYS   6  12.428  10.462 -17.466
   53    H    LEU   7           H        LEU   7   8.687   6.840 -14.056
   54    HA   LEU   7           HA       LEU   7   7.203   5.249 -12.329
   55   1HB   LEU   7          2HB       LEU   7   6.036   4.971 -14.827
   56   2HB   LEU   7          1HB       LEU   7   7.124   3.589 -14.763
   57    HG   LEU   7           HG       LEU   7   6.156   3.210 -12.385
   58   1HD1  LEU   7          1HD1      LEU   7   4.023   4.982 -13.611
   59   2HD1  LEU   7          3HD1      LEU   7   3.807   4.009 -12.156
   60   3HD1  LEU   7          2HD1      LEU   7   4.971   5.334 -12.166
   61   1HD2  LEU   7          1HD2      LEU   7   5.728   1.736 -14.325
   62   2HD2  LEU   7          3HD2      LEU   7   4.290   1.895 -13.317
   63   3HD2  LEU   7          2HD2      LEU   7   4.410   2.793 -14.831
   64    H    HIS   8           H        HIS   8   9.708   5.731 -12.022
   65    HA   HIS   8           HA       HIS   8  11.464   3.753 -13.307
   66   1HB   HIS   8          2HB       HIS   8  11.819   6.190 -11.706
   67   2HB   HIS   8          1HB       HIS   8  12.925   4.895 -11.251
   68    HD1  HIS   8           HD1      HIS   8  14.940   4.628 -12.705
   69    HD2  HIS   8           HD2      HIS   8  11.890   6.688 -14.663
   70    HE1  HIS   8           HE1      HIS   8  15.886   5.356 -14.939
   71    H    LYS   9           H        LYS   9  12.293   1.949 -12.267
   72    HA   LYS   9           HA       LYS   9  10.817   1.055  -9.868
   73   1HB   LYS   9          2HB       LYS   9  12.454  -1.054 -10.573
   74   2HB   LYS   9          1HB       LYS   9  10.788  -0.836 -11.094
   75   1HG   LYS   9          2HG       LYS   9  11.447   0.118 -13.169
   76   2HG   LYS   9          1HG       LYS   9  13.100   0.381 -12.612
   77   1HD   LYS   9          2HD       LYS   9  13.185  -1.545 -14.031
   78   2HD   LYS   9          1HD       LYS   9  13.297  -2.151 -12.380
   79   1HE   LYS   9          2HE       LYS   9  11.695  -3.560 -13.405
   80   2HE   LYS   9          1HE       LYS   9  10.730  -2.403 -12.492
   81   1HZ   LYS   9          2HZ       LYS   9  11.380  -2.206 -15.385
   82   2HZ   LYS   9          1HZ       LYS   9   9.886  -2.694 -14.739
   83   3HZ   LYS   9          3HZ       LYS   9  10.432  -1.106 -14.504
   84    H    GLU  10           H        GLU  10  11.863   0.190  -7.975
   85    HA   GLU  10           HA       GLU  10  14.747   0.368  -7.626
   86   1HB   GLU  10          2HB       GLU  10  13.751   2.797  -7.407
   87   2HB   GLU  10          1HB       GLU  10  13.154   2.216  -5.853
   88   1HG   GLU  10          2HG       GLU  10  16.038   1.802  -6.610
   89   2HG   GLU  10          1HG       GLU  10  15.511   3.354  -5.963
   90    HA   PRO  11           HA       PRO  11  13.247  -3.022  -5.177
   91   1HB   PRO  11          2HB       PRO  11  15.746  -2.784  -3.663
   92   2HB   PRO  11          1HB       PRO  11  15.150  -4.124  -4.655
   93   1HG   PRO  11          2HG       PRO  11  17.180  -2.291  -5.375
   94   2HG   PRO  11          1HG       PRO  11  16.385  -3.454  -6.444
   95   1HD   PRO  11          2HD       PRO  11  16.134  -0.569  -6.455
   96   2HD   PRO  11          1HD       PRO  11  15.374  -1.739  -7.554
   97    H    ALA  12           H        ALA  12  12.141  -3.144  -3.310
   98    HA   ALA  12           HA       ALA  12  12.463  -0.985  -1.262
   99   1HB   ALA  12          2HB       ALA  12  10.397  -0.941  -2.863
  100   2HB   ALA  12          1HB       ALA  12   9.811  -2.257  -1.851
  101   3HB   ALA  12          3HB       ALA  12  10.151  -0.682  -1.138
  102    H    THR  13           H        THR  13  10.401  -2.155   0.450
  103    HA   THR  13           HA       THR  13  11.397  -4.882   1.047
  104    HB   THR  13           HB       THR  13  12.828  -3.591   2.478
  105    HG1  THR  13           HG1      THR  13  10.619  -4.199   4.132
  106   1HG2  THR  13          2HG2      THR  13  10.352  -2.045   3.291
  107   2HG2  THR  13          1HG2      THR  13  11.960  -1.833   3.982
  108   3HG2  THR  13          3HG2      THR  13  11.669  -1.438   2.288
  109    H    LEU  14           H        LEU  14   9.555  -6.052   1.061
  110    HA   LEU  14           HA       LEU  14   6.952  -4.966   1.169
  111   1HB   LEU  14          2HB       LEU  14   6.136  -7.222   1.335
  112   2HB   LEU  14          1HB       LEU  14   7.558  -7.244   0.296
  113    HG   LEU  14           HG       LEU  14   8.669  -7.636   2.785
  114   1HD1  LEU  14          2HD1      LEU  14   6.117  -7.891   3.459
  115   2HD1  LEU  14          1HD1      LEU  14   6.319  -9.502   2.771
  116   3HD1  LEU  14          3HD1      LEU  14   7.328  -8.986   4.123
  117   1HD2  LEU  14          2HD2      LEU  14   7.703  -9.592   0.691
  118   2HD2  LEU  14          1HD2      LEU  14   9.325  -8.926   0.885
  119   3HD2  LEU  14          3HD2      LEU  14   8.701 -10.083   2.060
  120    H    ILE  15           H        ILE  15   5.941  -4.003   2.815
  121    HA   ILE  15           HA       ILE  15   6.568  -4.962   5.575
  122    HB   ILE  15           HB       ILE  15   5.158  -2.351   5.159
  123   1HG1  ILE  15          2HG1      ILE  15   8.173  -2.527   4.993
  124   2HG1  ILE  15          1HG1      ILE  15   7.161  -2.458   3.551
  125   1HG2  ILE  15          1HG2      ILE  15   5.601  -3.309   7.411
  126   2HG2  ILE  15          3HG2      ILE  15   7.331  -3.253   7.069
  127   3HG2  ILE  15          2HG2      ILE  15   6.404  -1.756   7.173
  128   1HD1  ILE  15          3HD1      ILE  15   6.067  -0.389   4.671
  129   2HD1  ILE  15          2HD1      ILE  15   7.492  -0.380   5.708
  130   3HD1  ILE  15          1HD1      ILE  15   7.671  -0.194   3.965
  131    H    LYS  16           H        LYS  16   4.699  -6.267   3.809
  132    HA   LYS  16           HA       LYS  16   2.638  -7.348   4.086
  133   1HB   LYS  16          2HB       LYS  16   3.067  -6.282   6.618
  134   2HB   LYS  16          1HB       LYS  16   1.488  -5.643   6.161
  135   1HG   LYS  16          2HG       LYS  16   2.040  -8.536   5.625
  136   2HG   LYS  16          1HG       LYS  16   1.727  -8.047   7.290
  137   1HD   LYS  16          2HD       LYS  16  -0.477  -8.005   6.845
  138   2HD   LYS  16          1HD       LYS  16  -0.197  -6.726   5.664
  139   1HE   LYS  16          2HE       LYS  16  -1.213  -8.417   4.382
  140   2HE   LYS  16          1HE       LYS  16   0.505  -8.656   4.069
  141   1HZ   LYS  16          3HZ       LYS  16  -0.977 -10.095   6.197
  142   2HZ   LYS  16          2HZ       LYS  16  -0.765 -10.712   4.629
  143   3HZ   LYS  16          1HZ       LYS  16   0.584 -10.425   5.620
  144    H    ALA  17           H        ALA  17   0.858  -7.038   2.852
  145    HA   ALA  17           HA       ALA  17   0.250  -4.281   1.932
  146   1HB   ALA  17          3HB       ALA  17  -0.681  -7.003   0.959
  147   2HB   ALA  17          2HB       ALA  17  -1.173  -5.468   0.243
  148   3HB   ALA  17          1HB       ALA  17   0.518  -5.965   0.187
  149    H    ILE  18           H        ILE  18  -1.385  -3.187   2.752
  150    HA   ILE  18           HA       ILE  18  -3.133  -4.239   4.786
  151    HB   ILE  18           HB       ILE  18  -3.009  -1.682   3.190
  152   1HG1  ILE  18          2HG1      ILE  18  -2.843  -1.181   5.936
  153   2HG1  ILE  18          1HG1      ILE  18  -1.952  -2.688   5.719
  154   1HG2  ILE  18          1HG2      ILE  18  -5.279  -2.743   4.683
  155   2HG2  ILE  18          3HG2      ILE  18  -4.695  -1.238   5.394
  156   3HG2  ILE  18          2HG2      ILE  18  -5.177  -1.283   3.699
  157   1HD1  ILE  18          2HD1      ILE  18  -0.656  -1.616   3.876
  158   2HD1  ILE  18          1HD1      ILE  18  -1.497  -0.100   4.205
  159   3HD1  ILE  18          3HD1      ILE  18  -0.431  -0.799   5.423
  160    H    ASP  19           H        ASP  19  -3.902  -2.978   1.509
  161    HA   ASP  19           HA       ASP  19  -6.107  -4.990   1.349
  162   1HB   ASP  19          2HB       ASP  19  -6.187  -2.053   0.580
  163   2HB   ASP  19          1HB       ASP  19  -7.410  -3.218   0.083
  164    H    GLY  20           H        GLY  20  -6.824  -4.084  -1.356
  165   1HA   GLY  20          2HA       GLY  20  -5.066  -5.675  -2.914
  166   2HA   GLY  20          1HA       GLY  20  -6.209  -4.506  -3.577
  167    H    ASP  21           H        ASP  21  -5.480  -2.253  -3.787
  168    HA   ASP  21           HA       ASP  21  -2.686  -2.086  -4.612
  169   1HB   ASP  21          2HB       ASP  21  -4.931  -0.066  -4.503
  170   2HB   ASP  21          1HB       ASP  21  -3.298   0.362  -5.008
  171    H    THR  22           H        THR  22  -4.402  -1.386  -1.655
  172    HA   THR  22           HA       THR  22  -2.549   0.645  -0.710
  173    HB   THR  22           HB       THR  22  -4.460  -1.151   0.814
  174    HG1  THR  22           HG1      THR  22  -5.764   0.122  -0.260
  175   1HG2  THR  22          1HG2      THR  22  -2.987   1.352   1.661
  176   2HG2  THR  22          3HG2      THR  22  -4.228   0.541   2.613
  177   3HG2  THR  22          2HG2      THR  22  -2.703  -0.275   2.271
  178    H    VAL  23           H        VAL  23  -0.394  -0.013  -0.452
  179    HA   VAL  23           HA       VAL  23   0.091  -2.503   1.105
  180    HB   VAL  23           HB       VAL  23   2.014  -3.014  -0.437
  181   1HG1  VAL  23          2HG1      VAL  23  -0.590  -3.754  -0.597
  182   2HG1  VAL  23          1HG1      VAL  23  -0.383  -3.021  -2.187
  183   3HG1  VAL  23          3HG1      VAL  23   0.653  -4.359  -1.691
  184   1HG2  VAL  23          1HG2      VAL  23   0.708  -0.762  -1.985
  185   2HG2  VAL  23          3HG2      VAL  23   2.400  -0.913  -1.512
  186   3HG2  VAL  23          2HG2      VAL  23   1.736  -1.965  -2.761
  187    H    LYS  24           H        LYS  24   1.709  -2.390   2.592
  188    HA   LYS  24           HA       LYS  24   2.987   0.236   3.009
  189   1HB   LYS  24          2HB       LYS  24   1.971  -1.392   4.813
  190   2HB   LYS  24          1HB       LYS  24   3.534  -2.193   4.688
  191   1HG   LYS  24          2HG       LYS  24   4.463  -0.614   5.993
  192   2HG   LYS  24          1HG       LYS  24   3.987   0.631   4.838
  193   1HD   LYS  24          2HD       LYS  24   1.762   0.768   5.885
  194   2HD   LYS  24          1HD       LYS  24   2.217  -0.492   7.031
  195   1HE   LYS  24          2HE       LYS  24   2.533   1.600   8.162
  196   2HE   LYS  24          1HE       LYS  24   4.141   1.009   7.745
  197   1HZ   LYS  24          3HZ       LYS  24   2.635   2.863   5.994
  198   2HZ   LYS  24          2HZ       LYS  24   3.658   3.415   7.233
  199   3HZ   LYS  24          1HZ       LYS  24   4.290   2.493   5.955
  200    H    LEU  25           H        LEU  25   4.946   0.668   2.115
  201    HA   LEU  25           HA       LEU  25   6.993  -1.464   1.934
  202   1HB   LEU  25          2HB       LEU  25   5.502  -0.355  -0.356
  203   2HB   LEU  25          1HB       LEU  25   7.253  -0.333  -0.551
  204    HG   LEU  25           HG       LEU  25   5.931  -2.826   0.471
  205   1HD1  LEU  25          1HD1      LEU  25   6.062  -1.901  -2.412
  206   2HD1  LEU  25          3HD1      LEU  25   5.746  -3.566  -1.925
  207   3HD1  LEU  25          2HD1      LEU  25   4.609  -2.289  -1.490
  208   1HD2  LEU  25          3HD2      LEU  25   8.514  -2.170   0.085
  209   2HD2  LEU  25          2HD2      LEU  25   7.916  -3.811  -0.148
  210   3HD2  LEU  25          1HD2      LEU  25   8.132  -2.748  -1.536
  211    H    MET  26           H        MET  26   9.124  -0.642   1.754
  212    HA   MET  26           HA       MET  26   9.363   2.321   2.143
  213   1HB   MET  26          2HB       MET  26  11.568   0.422   2.899
  214   2HB   MET  26          1HB       MET  26  11.168   1.992   3.588
  215   1HG   MET  26          2HG       MET  26   9.167   1.030   4.651
  216   2HG   MET  26          1HG       MET  26   9.539  -0.541   3.943
  217   1HE   MET  26          3HE       MET  26   9.055   0.130   7.011
  218   2HE   MET  26          2HE       MET  26   9.341  -1.501   6.410
  219   3HE   MET  26          1HE       MET  26  10.271  -0.899   7.779
  220    H    TYR  27           H        TYR  27  10.105   3.268   0.278
  221    HA   TYR  27           HA       TYR  27  11.622   1.621  -1.644
  222   1HB   TYR  27          2HB       TYR  27  11.441   3.577  -3.163
  223   2HB   TYR  27          1HB       TYR  27   9.873   3.045  -2.570
  224    HD1  TYR  27           HD2      TYR  27  12.456   5.678  -2.358
  225    HD2  TYR  27           HD1      TYR  27   8.573   4.410  -1.028
  226    HE1  TYR  27           HE2      TYR  27  12.006   7.958  -1.506
  227    HE2  TYR  27           HE1      TYR  27   8.121   6.696  -0.181
  228    HH   TYR  27           HH       TYR  27   9.212   9.191  -0.955
  229    H    LYS  28           H        LYS  28  12.952   2.118   0.796
  230    HA   LYS  28           HA       LYS  28  15.008   2.812   1.634
  231   1HB   LYS  28          2HB       LYS  28  15.441   2.593  -1.322
  232   2HB   LYS  28          1HB       LYS  28  16.709   3.342  -0.355
  233   1HG   LYS  28          2HG       LYS  28  17.376   1.146  -0.173
  234   2HG   LYS  28          1HG       LYS  28  16.265   1.208   1.194
  235   1HD   LYS  28          2HD       LYS  28  14.846   0.650  -1.281
  236   2HD   LYS  28          1HD       LYS  28  16.118  -0.537  -0.996
  237   1HE   LYS  28          2HE       LYS  28  14.876  -0.097   1.509
  238   2HE   LYS  28          1HE       LYS  28  13.573  -0.267   0.334
  239   1HZ   LYS  28          1HZ       LYS  28  14.680  -2.304  -0.468
  240   2HZ   LYS  28          3HZ       LYS  28  15.813  -2.161   0.787
  241   3HZ   LYS  28          2HZ       LYS  28  14.173  -2.416   1.149
  242    H    GLY  29           H        GLY  29  13.365   4.724   2.016
  243   1HA   GLY  29          2HA       GLY  29  14.812   7.123   2.132
  244   2HA   GLY  29          1HA       GLY  29  13.860   7.218   0.650
  245    H    GLN  30           H        GLN  30  11.653   5.578   1.837
  246    HA   GLN  30           HA       GLN  30  10.681   7.112   4.128
  247   1HB   GLN  30          2HB       GLN  30  10.328   8.566   2.028
  248   2HB   GLN  30          1HB       GLN  30   9.098   7.388   1.576
  249   1HG   GLN  30          2HG       GLN  30   8.074   7.759   3.879
  250   2HG   GLN  30          1HG       GLN  30   9.164   9.135   4.041
  251   1HE2  GLN  30          2HE2      GLN  30   6.391   9.398   0.996
  252   2HE2  GLN  30          1HE2      GLN  30   7.132   7.901   1.295
  253    HA   PRO  31           HA       PRO  31   8.980   2.874   4.018
  254   1HB   PRO  31          2HB       PRO  31   8.668   3.069   6.860
  255   2HB   PRO  31          1HB       PRO  31   9.893   2.151   5.977
  256   1HG   PRO  31          2HG       PRO  31  10.261   4.572   7.508
  257   2HG   PRO  31          1HG       PRO  31  11.489   3.624   6.659
  258   1HD   PRO  31          2HD       PRO  31  10.393   6.185   5.902
  259   2HD   PRO  31          1HD       PRO  31  11.637   5.237   5.062
  260    H    MET  32           H        MET  32   6.945   3.447   3.087
  261    HA   MET  32           HA       MET  32   4.843   4.249   5.052
  262   1HB   MET  32          2HB       MET  32   5.067   5.557   2.329
  263   2HB   MET  32          1HB       MET  32   3.959   5.979   3.632
  264   1HG   MET  32          2HG       MET  32   6.931   6.099   4.087
  265   2HG   MET  32          1HG       MET  32   6.106   7.424   3.274
  266   1HE   MET  32          2HE       MET  32   4.656   8.985   4.115
  267   2HE   MET  32          1HE       MET  32   4.594   9.469   5.808
  268   3HE   MET  32          3HE       MET  32   6.141   9.432   4.950
  269    H    THR  33           H        THR  33   2.619   4.253   3.726
  270    HA   THR  33           HA       THR  33   2.554   1.717   2.148
  271    HB   THR  33           HB       THR  33   1.290   1.715   4.334
  272    HG1  THR  33           HG1      THR  33  -0.368   1.578   2.038
  273   1HG2  THR  33          2HG2      THR  33   0.618   4.139   4.186
  274   2HG2  THR  33          1HG2      THR  33  -0.537   3.684   2.935
  275   3HG2  THR  33          3HG2      THR  33  -0.711   3.046   4.570
  276    H    PHE  34           H        PHE  34   1.591   1.794   0.088
  277    HA   PHE  34           HA       PHE  34   0.235   4.320  -0.677
  278   1HB   PHE  34          2HB       PHE  34   1.807   3.898  -2.889
  279   2HB   PHE  34          1HB       PHE  34   2.100   5.106  -1.646
  280    HD1  PHE  34           HD2      PHE  34   3.734   4.689   0.157
  281    HD2  PHE  34           HD1      PHE  34   3.157   1.881  -3.043
  282    HE1  PHE  34           HE2      PHE  34   5.906   3.630   0.699
  283    HE2  PHE  34           HE1      PHE  34   5.335   0.827  -2.500
  284    HZ   PHE  34           HZ       PHE  34   6.711   1.706  -0.639
  285    H    ARG  35           H        ARG  35  -0.351   4.131  -3.157
  286    HA   ARG  35           HA       ARG  35  -1.226   1.359  -3.829
  287   1HB   ARG  35          2HB       ARG  35  -3.037   3.787  -3.676
  288   2HB   ARG  35          1HB       ARG  35  -3.505   2.242  -4.375
  289   1HG   ARG  35          2HG       ARG  35  -3.367   1.143  -2.274
  290   2HG   ARG  35          1HG       ARG  35  -2.519   2.492  -1.534
  291   1HD   ARG  35          2HD       ARG  35  -5.011   3.372  -2.679
  292   2HD   ARG  35          1HD       ARG  35  -5.306   2.037  -1.581
  293    HE   ARG  35           HE       ARG  35  -4.779   4.707  -0.809
  294   1HH1  ARG  35          2HH1      ARG  35  -1.964   3.688  -0.370
  295   2HH1  ARG  35          1HH1      ARG  35  -2.035   3.172   1.280
  296   1HH2  ARG  35          1HH2      ARG  35  -5.506   3.189   1.418
  297   2HH2  ARG  35          2HH2      ARG  35  -4.041   2.902   2.298
  298    H    LEU  36           H        LEU  36  -2.586   1.708  -6.092
  299    HA   LEU  36           HA       LEU  36  -0.733   2.386  -8.122
  300   1HB   LEU  36          2HB       LEU  36  -2.498   1.159  -8.979
  301   2HB   LEU  36          1HB       LEU  36  -3.680   1.949  -7.956
  302    HG   LEU  36           HG       LEU  36  -3.570   3.967  -9.374
  303   1HD1  LEU  36          3HD1      LEU  36  -1.134   2.912 -10.215
  304   2HD1  LEU  36          2HD1      LEU  36  -2.188   2.700 -11.613
  305   3HD1  LEU  36          1HD1      LEU  36  -1.958   4.304 -10.917
  306   1HD2  LEU  36          2HD2      LEU  36  -4.418   1.307 -10.299
  307   2HD2  LEU  36          1HD2      LEU  36  -5.308   2.828 -10.281
  308   3HD2  LEU  36          3HD2      LEU  36  -4.198   2.471 -11.604
  309    H    LEU  37           H        LEU  37  -3.575   4.178  -7.060
  310    HA   LEU  37           HA       LEU  37  -2.137   6.746  -7.212
  311   1HB   LEU  37          2HB       LEU  37  -3.932   7.798  -8.541
  312   2HB   LEU  37          1HB       LEU  37  -3.200   6.481  -9.454
  313    HG   LEU  37           HG       LEU  37  -5.260   5.248  -8.017
  314   1HD1  LEU  37          2HD1      LEU  37  -5.847   8.048  -8.279
  315   2HD1  LEU  37          1HD1      LEU  37  -6.932   7.144  -9.335
  316   3HD1  LEU  37          3HD1      LEU  37  -6.867   6.773  -7.612
  317   1HD2  LEU  37          3HD2      LEU  37  -4.363   5.228 -10.539
  318   2HD2  LEU  37          2HD2      LEU  37  -5.969   4.629 -10.129
  319   3HD2  LEU  37          1HD2      LEU  37  -5.777   6.254 -10.786
  320    H    LEU  38           H        LEU  38  -2.846   5.117  -5.087
  321    HA   LEU  38           HA       LEU  38  -3.811   5.248  -2.981
  322   1HB   LEU  38          2HB       LEU  38  -3.555   7.612  -2.934
  323   2HB   LEU  38          1HB       LEU  38  -4.826   7.857  -4.118
  324    HG   LEU  38           HG       LEU  38  -5.773   6.435  -1.737
  325   1HD1  LEU  38          1HD1      LEU  38  -3.897   8.451  -1.221
  326   2HD1  LEU  38          3HD1      LEU  38  -5.459   9.243  -1.025
  327   3HD1  LEU  38          2HD1      LEU  38  -5.077   7.805  -0.081
  328   1HD2  LEU  38          3HD2      LEU  38  -6.884   7.904  -3.742
  329   2HD2  LEU  38          2HD2      LEU  38  -7.672   7.644  -2.187
  330   3HD2  LEU  38          1HD2      LEU  38  -6.776   9.133  -2.482
  331    H    VAL  39           H        VAL  39  -4.813   3.624  -5.027
  332    HA   VAL  39           HA       VAL  39  -7.458   3.633  -5.783
  333    HB   VAL  39           HB       VAL  39  -5.893   1.326  -4.573
  334   1HG1  VAL  39          2HG1      VAL  39  -8.547   1.455  -6.012
  335   2HG1  VAL  39          1HG1      VAL  39  -7.531   0.019  -6.142
  336   3HG1  VAL  39          3HG1      VAL  39  -8.118   0.545  -4.564
  337   1HG2  VAL  39          2HG2      VAL  39  -6.080   2.623  -7.266
  338   2HG2  VAL  39          1HG2      VAL  39  -4.690   1.892  -6.464
  339   3HG2  VAL  39          3HG2      VAL  39  -5.911   0.868  -7.218
  340    H    ASP  40           H        ASP  40  -8.858   4.716  -4.351
  341    HA   ASP  40           HA       ASP  40 -10.015   3.089  -2.218
  342   1HB   ASP  40          2HB       ASP  40  -8.117   5.261  -1.608
  343   2HB   ASP  40          1HB       ASP  40  -9.665   5.431  -0.782
  344    H    THR  41           H        THR  41 -11.467   3.618  -4.270
  345    HA   THR  41           HA       THR  41 -12.695   6.260  -4.267
  346    HB   THR  41           HB       THR  41 -13.079   3.714  -5.812
  347    HG1  THR  41           HG1      THR  41 -11.744   4.965  -6.866
  348   1HG2  THR  41          2HG2      THR  41 -15.036   5.997  -5.580
  349   2HG2  THR  41          1HG2      THR  41 -14.947   4.994  -7.027
  350   3HG2  THR  41          3HG2      THR  41 -15.357   4.264  -5.476
  351    HA   PRO  42           HA       PRO  42 -16.468   3.770  -2.505
  352   1HB   PRO  42          2HB       PRO  42 -15.515   1.348  -1.292
  353   2HB   PRO  42          1HB       PRO  42 -16.621   1.513  -2.663
  354   1HG   PRO  42          2HG       PRO  42 -13.873   0.634  -2.710
  355   2HG   PRO  42          1HG       PRO  42 -14.991   0.782  -4.073
  356   1HD   PRO  42          2HD       PRO  42 -12.743   2.471  -3.440
  357   2HD   PRO  42          1HD       PRO  42 -13.862   2.611  -4.808
  358    H    GLU  43           H        GLU  43 -16.626   5.160  -0.778
  359    HA   GLU  43           HA       GLU  43 -15.239   4.423   1.739
  360   1HB   GLU  43          2HB       GLU  43 -14.621   6.837   2.114
  361   2HB   GLU  43          1HB       GLU  43 -13.739   6.078   0.789
  362   1HG   GLU  43          2HG       GLU  43 -14.532   7.608  -0.658
  363   2HG   GLU  43          1HG       GLU  43 -16.190   7.180  -0.240
  364    H    THR  44           H        THR  44 -18.020   4.291   0.760
  365    HA   THR  44           HA       THR  44 -19.303   5.643   3.045
  366    HB   THR  44           HB       THR  44 -20.245   6.150   0.201
  367    HG1  THR  44           HG1      THR  44 -19.040   7.872   2.109
  368   1HG2  THR  44          2HG2      THR  44 -21.269   7.017   2.913
  369   2HG2  THR  44          1HG2      THR  44 -21.760   7.791   1.407
  370   3HG2  THR  44          3HG2      THR  44 -22.129   6.089   1.684
  371    H    LYS  45           H        LYS  45 -21.230   4.575   3.668
  372    HA   LYS  45           HA       LYS  45 -21.559   1.873   2.591
  373   1HB   LYS  45          2HB       LYS  45 -21.810   2.649   5.067
  374   2HB   LYS  45          1HB       LYS  45 -23.427   3.159   4.579
  375   1HG   LYS  45          2HG       LYS  45 -24.157   0.997   4.234
  376   2HG   LYS  45          1HG       LYS  45 -22.553   0.415   3.787
  377   1HD   LYS  45          2HD       LYS  45 -22.484  -0.471   5.872
  378   2HD   LYS  45          1HD       LYS  45 -22.195   1.181   6.418
  379   1HE   LYS  45          2HE       LYS  45 -25.021   0.277   5.968
  380   2HE   LYS  45          1HE       LYS  45 -24.187  -0.227   7.437
  381   1HZ   LYS  45          3HZ       LYS  45 -23.685   2.109   7.889
  382   2HZ   LYS  45          2HZ       LYS  45 -24.552   2.570   6.502
  383   3HZ   LYS  45          1HZ       LYS  45 -25.356   1.833   7.804
  384    H    HIS  46           H        HIS  46 -22.397   2.019   0.519
  385    HA   HIS  46           HA       HIS  46 -25.243   2.618   0.288
  386   1HB   HIS  46          2HB       HIS  46 -23.242   4.585  -0.565
  387   2HB   HIS  46          1HB       HIS  46 -24.335   4.116  -1.868
  388    HD1  HIS  46           HD1      HIS  46 -27.008   4.100  -1.028
  389    HD2  HIS  46           HD2      HIS  46 -24.334   6.534   1.047
  390    HE1  HIS  46           HE1      HIS  46 -28.407   5.810   0.211
  391    HA   PRO  47           HA       PRO  47 -23.685   0.841  -3.925
  392   1HB   PRO  47          2HB       PRO  47 -20.855   0.393  -3.832
  393   2HB   PRO  47          1HB       PRO  47 -21.736   1.516  -4.877
  394   1HG   PRO  47          2HG       PRO  47 -20.055   2.150  -2.611
  395   2HG   PRO  47          1HG       PRO  47 -20.892   3.268  -3.693
  396   1HD   PRO  47          2HD       PRO  47 -21.555   2.637  -0.970
  397   2HD   PRO  47          1HD       PRO  47 -22.410   3.731  -2.071
  398    H    LYS  48           H        LYS  48 -24.446  -1.210  -3.563
  399    HA   LYS  48           HA       LYS  48 -24.531  -3.452  -2.896
  400   1HB   LYS  48          2HB       LYS  48 -21.547  -3.052  -2.506
  401   2HB   LYS  48          1HB       LYS  48 -22.371  -4.610  -2.504
  402   1HG   LYS  48          2HG       LYS  48 -23.192  -4.128  -4.818
  403   2HG   LYS  48          1HG       LYS  48 -22.228  -2.651  -4.814
  404   1HD   LYS  48          2HD       LYS  48 -20.918  -5.274  -4.153
  405   2HD   LYS  48          1HD       LYS  48 -21.217  -4.850  -5.840
  406   1HE   LYS  48          2HE       LYS  48 -20.062  -2.633  -5.365
  407   2HE   LYS  48          1HE       LYS  48 -19.567  -3.317  -3.817
  408   1HZ   LYS  48          3HZ       LYS  48 -18.511  -5.144  -5.029
  409   2HZ   LYS  48          2HZ       LYS  48 -18.943  -4.419  -6.504
  410   3HZ   LYS  48          1HZ       LYS  48 -17.852  -3.642  -5.458
  411    H    LYS  49           H        LYS  49 -23.648  -4.912  -0.866
  412    HA   LYS  49           HA       LYS  49 -24.589  -3.454   1.501
  413   1HB   LYS  49          2HB       LYS  49 -25.073  -5.937   0.810
  414   2HB   LYS  49          1HB       LYS  49 -23.513  -6.262   1.566
  415   1HG   LYS  49          2HG       LYS  49 -24.391  -4.969   3.596
  416   2HG   LYS  49          1HG       LYS  49 -25.982  -5.074   2.843
  417   1HD   LYS  49          2HD       LYS  49 -26.123  -7.048   3.968
  418   2HD   LYS  49          1HD       LYS  49 -25.149  -7.664   2.633
  419   1HE   LYS  49          2HE       LYS  49 -23.267  -6.531   4.343
  420   2HE   LYS  49          1HE       LYS  49 -24.420  -7.292   5.440
  421   1HZ   LYS  49          3HZ       LYS  49 -24.205  -9.345   4.178
  422   2HZ   LYS  49          2HZ       LYS  49 -23.081  -8.609   3.137
  423   3HZ   LYS  49          1HZ       LYS  49 -22.701  -8.842   4.777
  424    H    GLY  50           H        GLY  50 -23.306  -2.645   3.106
  425   1HA   GLY  50          2HA       GLY  50 -20.405  -2.645   2.748
  426   2HA   GLY  50          1HA       GLY  50 -21.292  -1.828   4.035
  427    H    VAL  51           H        VAL  51 -19.071  -4.181   3.575
  428    HA   VAL  51           HA       VAL  51 -19.898  -5.617   6.049
  429    HB   VAL  51           HB       VAL  51 -20.168  -6.846   3.725
  430   1HG1  VAL  51          3HG1      VAL  51 -17.657  -6.223   3.254
  431   2HG1  VAL  51          2HG1      VAL  51 -17.320  -7.637   4.252
  432   3HG1  VAL  51          1HG1      VAL  51 -18.271  -7.805   2.777
  433   1HG2  VAL  51          3HG2      VAL  51 -19.748  -7.671   6.380
  434   2HG2  VAL  51          2HG2      VAL  51 -20.441  -8.628   5.071
  435   3HG2  VAL  51          1HG2      VAL  51 -18.711  -8.710   5.402
  436    H    GLU  52           H        GLU  52 -17.603  -7.153   6.371
  437    HA   GLU  52           HA       GLU  52 -15.692  -5.180   7.302
  438   1HB   GLU  52          2HB       GLU  52 -16.292  -7.857   7.895
  439   2HB   GLU  52          1HB       GLU  52 -14.661  -7.901   7.228
  440   1HG   GLU  52          2HG       GLU  52 -14.850  -5.645   8.985
  441   2HG   GLU  52          1HG       GLU  52 -15.470  -7.061   9.833
  442    H    LYS  53           H        LYS  53 -13.199  -6.247   6.780
  443    HA   LYS  53           HA       LYS  53 -12.492  -5.181   4.264
  444   1HB   LYS  53          2HB       LYS  53 -10.982  -5.826   6.271
  445   2HB   LYS  53          1HB       LYS  53 -10.942  -7.433   5.545
  446   1HG   LYS  53          2HG       LYS  53  -9.999  -6.563   3.499
  447   2HG   LYS  53          1HG       LYS  53 -10.227  -4.900   4.041
  448   1HD   LYS  53          2HD       LYS  53  -7.976  -5.233   4.545
  449   2HD   LYS  53          1HD       LYS  53  -8.737  -5.669   6.075
  450   1HE   LYS  53          2HE       LYS  53  -7.398  -7.528   5.785
  451   2HE   LYS  53          1HE       LYS  53  -8.834  -8.074   4.920
  452   1HZ   LYS  53          2HZ       LYS  53  -6.496  -6.729   3.670
  453   2HZ   LYS  53          1HZ       LYS  53  -6.792  -8.402   3.639
  454   3HZ   LYS  53          3HZ       LYS  53  -7.857  -7.340   2.856
  455    H    TYR  54           H        TYR  54 -12.738  -5.941   2.223
  456    HA   TYR  54           HA       TYR  54 -13.073  -8.883   1.819
  457   1HB   TYR  54          2HB       TYR  54 -15.195  -7.202   1.702
  458   2HB   TYR  54          1HB       TYR  54 -14.620  -7.068   0.041
  459    HD1  TYR  54           HD1      TYR  54 -14.413  -9.109  -1.385
  460    HD2  TYR  54           HD2      TYR  54 -16.197  -9.227   2.522
  461    HE1  TYR  54           HE1      TYR  54 -15.431 -11.307  -1.917
  462    HE2  TYR  54           HE2      TYR  54 -17.215 -11.425   1.990
  463    HH   TYR  54           HH       TYR  54 -16.393 -13.416   0.079
  464    H    GLY  55           H        GLY  55 -11.327  -9.460   0.617
  465   1HA   GLY  55          2HA       GLY  55 -10.014  -7.568  -1.198
  466   2HA   GLY  55          1HA       GLY  55  -9.525  -9.239  -0.910
  467    HA   PRO  56           HA       PRO  56 -12.069  -8.612  -4.930
  468   1HB   PRO  56          2HB       PRO  56  -9.741  -8.694  -6.578
  469   2HB   PRO  56          1HB       PRO  56 -10.812  -7.315  -6.305
  470   1HG   PRO  56          2HG       PRO  56  -8.112  -7.684  -5.338
  471   2HG   PRO  56          1HG       PRO  56  -9.168  -6.283  -5.117
  472   1HD   PRO  56          2HD       PRO  56  -8.435  -8.284  -3.165
  473   2HD   PRO  56          1HD       PRO  56  -9.455  -6.849  -2.935
  474    H    GLU  57           H        GLU  57 -11.132 -10.074  -7.116
  475    HA   GLU  57           HA       GLU  57 -10.557 -12.779  -5.972
  476   1HB   GLU  57          2HB       GLU  57 -11.892 -13.525  -8.144
  477   2HB   GLU  57          1HB       GLU  57 -12.746 -13.122  -6.658
  478   1HG   GLU  57          2HG       GLU  57 -13.733 -11.310  -7.593
  479   2HG   GLU  57          1HG       GLU  57 -12.234 -10.775  -8.347
  480    H    ALA  58           H        ALA  58 -10.627 -11.131  -9.170
  481    HA   ALA  58           HA       ALA  58  -8.326 -12.687 -10.092
  482   1HB   ALA  58          1HB       ALA  58  -9.764 -10.310 -11.322
  483   2HB   ALA  58          3HB       ALA  58  -8.514 -11.260 -12.126
  484   3HB   ALA  58          2HB       ALA  58 -10.053 -12.008 -11.702
  485    H    SER  59           H        SER  59  -8.988  -9.348  -9.054
  486    HA   SER  59           HA       SER  59  -6.277  -8.406  -9.453
  487   1HB   SER  59          2HB       SER  59  -8.741  -7.359  -8.114
  488   2HB   SER  59          1HB       SER  59  -7.194  -6.633  -7.689
  489    HG   SER  59           HG       SER  59  -8.326  -5.681  -9.529
  490    H    ALA  60           H        ALA  60  -8.005  -9.980  -6.803
  491    HA   ALA  60           HA       ALA  60  -6.215  -9.416  -4.664
  492   1HB   ALA  60          3HB       ALA  60  -7.999 -11.784  -5.256
  493   2HB   ALA  60          2HB       ALA  60  -7.027 -11.695  -3.786
  494   3HB   ALA  60          1HB       ALA  60  -8.266 -10.479  -4.099
  495    H    PHE  61           H        PHE  61  -6.130 -11.980  -7.140
  496    HA   PHE  61           HA       PHE  61  -3.782 -13.310  -6.123
  497   1HB   PHE  61          2HB       PHE  61  -5.283 -13.298  -8.719
  498   2HB   PHE  61          1HB       PHE  61  -3.669 -14.007  -8.682
  499    HD1  PHE  61           HD2      PHE  61  -6.895 -14.046  -6.758
  500    HD2  PHE  61           HD1      PHE  61  -3.422 -16.233  -8.026
  501    HE1  PHE  61           HE2      PHE  61  -7.819 -16.105  -5.733
  502    HE2  PHE  61           HE1      PHE  61  -4.346 -18.292  -6.999
  503    HZ   PHE  61           HZ       PHE  61  -6.543 -18.229  -5.854
  504    H    THR  62           H        THR  62  -4.286 -10.462  -8.082
  505    HA   THR  62           HA       THR  62  -1.518 -10.310  -9.039
  506    HB   THR  62           HB       THR  62  -3.262  -7.889  -9.034
  507    HG1  THR  62           HG1      THR  62  -3.767 -10.173 -10.645
  508   1HG2  THR  62          1HG2      THR  62  -0.964  -8.191 -10.141
  509   2HG2  THR  62          3HG2      THR  62  -1.796  -9.208 -11.318
  510   3HG2  THR  62          2HG2      THR  62  -2.247  -7.512 -11.141
  511    H    LYS  63           H        LYS  63  -3.478  -8.915  -6.439
  512    HA   LYS  63           HA       LYS  63  -1.385  -7.091  -5.554
  513   1HB   LYS  63          2HB       LYS  63  -3.893  -8.001  -4.116
  514   2HB   LYS  63          1HB       LYS  63  -2.888  -6.621  -3.676
  515   1HG   LYS  63          2HG       LYS  63  -4.279  -6.915  -6.355
  516   2HG   LYS  63          1HG       LYS  63  -4.931  -5.994  -5.003
  517   1HD   LYS  63          2HD       LYS  63  -3.717  -4.224  -5.678
  518   2HD   LYS  63          1HD       LYS  63  -2.251  -5.137  -5.324
  519   1HE   LYS  63          2HE       LYS  63  -1.940  -4.679  -7.582
  520   2HE   LYS  63          1HE       LYS  63  -2.745  -6.244  -7.673
  521   1HZ   LYS  63          1HZ       LYS  63  -4.862  -5.075  -7.935
  522   2HZ   LYS  63          3HZ       LYS  63  -4.049  -3.587  -7.914
  523   3HZ   LYS  63          2HZ       LYS  63  -3.771  -4.686  -9.178
  524    H    LYS  64           H        LYS  64  -1.748 -10.462  -5.193
  525    HA   LYS  64           HA       LYS  64  -0.663 -10.635  -2.493
  526   1HB   LYS  64          2HB       LYS  64  -0.746 -13.006  -2.809
  527   2HB   LYS  64          1HB       LYS  64  -2.186 -12.370  -3.601
  528   1HG   LYS  64          2HG       LYS  64  -1.344 -13.804  -5.238
  529   2HG   LYS  64          1HG       LYS  64  -0.635 -12.262  -5.712
  530   1HD   LYS  64          2HD       LYS  64   1.398 -13.133  -5.506
  531   2HD   LYS  64          1HD       LYS  64   1.090 -13.420  -3.794
  532   1HE   LYS  64          2HE       LYS  64  -0.047 -15.573  -4.424
  533   2HE   LYS  64          1HE       LYS  64   0.467 -15.302  -6.089
  534   1HZ   LYS  64          3HZ       LYS  64   2.270 -15.530  -3.738
  535   2HZ   LYS  64          2HZ       LYS  64   2.011 -16.734  -4.909
  536   3HZ   LYS  64          1HZ       LYS  64   2.763 -15.273  -5.341
  537    H    MET  65           H        MET  65   0.541 -10.300  -5.735
  538    HA   MET  65           HA       MET  65   3.099 -11.480  -5.546
  539   1HB   MET  65          2HB       MET  65   3.763 -10.012  -7.347
  540   2HB   MET  65          1HB       MET  65   2.088 -10.484  -7.622
  541   1HG   MET  65          2HG       MET  65   1.620  -8.284  -7.781
  542   2HG   MET  65          1HG       MET  65   1.888  -8.191  -6.042
  543   1HE   MET  65          1HE       MET  65   2.952  -7.921  -9.457
  544   2HE   MET  65          3HE       MET  65   2.918  -6.183  -9.131
  545   3HE   MET  65          2HE       MET  65   4.437  -6.978  -9.538
  546    H    LEU  66           H        LEU  66   1.818  -8.607  -4.070
  547    HA   LEU  66           HA       LEU  66   4.421  -7.486  -3.323
  548   1HB   LEU  66          2HB       LEU  66   2.075  -6.295  -3.690
  549   2HB   LEU  66          1HB       LEU  66   1.848  -6.705  -1.991
  550    HG   LEU  66           HG       LEU  66   4.485  -5.536  -2.613
  551   1HD1  LEU  66          3HD1      LEU  66   1.917  -3.981  -3.002
  552   2HD1  LEU  66          2HD1      LEU  66   3.472  -3.211  -2.697
  553   3HD1  LEU  66          1HD1      LEU  66   3.237  -4.177  -4.151
  554   1HD2  LEU  66          2HD2      LEU  66   2.299  -5.153  -0.555
  555   2HD2  LEU  66          1HD2      LEU  66   3.908  -5.835  -0.318
  556   3HD2  LEU  66          3HD2      LEU  66   3.717  -4.107  -0.610
  557    H    GLU  67           H        GLU  67   2.207  -9.851  -2.063
  558    HA   GLU  67           HA       GLU  67   3.085  -9.579   0.723
  559   1HB   GLU  67          2HB       GLU  67   1.025 -11.015  -0.727
  560   2HB   GLU  67          1HB       GLU  67   1.901 -12.115   0.338
  561   1HG   GLU  67          2HG       GLU  67   0.763  -9.445   1.223
  562   2HG   GLU  67          1HG       GLU  67  -0.057 -10.990   1.446
  563    H    ASN  68           H        ASN  68   3.963 -11.413  -2.126
  564    HA   ASN  68           HA       ASN  68   6.065 -12.814  -0.519
  565   1HB   ASN  68          2HB       ASN  68   5.906 -14.690  -2.003
  566   2HB   ASN  68          1HB       ASN  68   4.263 -14.273  -1.530
  567   1HD2  ASN  68          2HD2      ASN  68   3.459 -12.974  -4.841
  568   2HD2  ASN  68          1HD2      ASN  68   3.154 -12.601  -3.212
  569    H    ALA  69           H        ALA  69   5.961 -10.166  -2.171
  570    HA   ALA  69           HA       ALA  69   7.928 -10.610  -4.311
  571   1HB   ALA  69          1HB       ALA  69   6.119  -8.522  -3.487
  572   2HB   ALA  69          3HB       ALA  69   7.740  -7.858  -3.653
  573   3HB   ALA  69          2HB       ALA  69   6.984  -8.688  -5.012
  574    H    LYS  70           H        LYS  70  10.119 -10.353  -4.155
  575    HA   LYS  70           HA       LYS  70  11.222  -9.688  -1.458
  576   1HB   LYS  70          2HB       LYS  70  11.732 -11.907  -2.756
  577   2HB   LYS  70          1HB       LYS  70  12.828 -10.896  -3.698
  578   1HG   LYS  70          2HG       LYS  70  13.989 -10.201  -1.655
  579   2HG   LYS  70          1HG       LYS  70  12.864 -11.144  -0.675
  580   1HD   LYS  70          2HD       LYS  70  13.635 -13.124  -2.244
  581   2HD   LYS  70          1HD       LYS  70  15.047 -12.098  -2.500
  582   1HE   LYS  70          2HE       LYS  70  14.090 -12.568   0.304
  583   2HE   LYS  70          1HE       LYS  70  15.011 -13.834  -0.507
  584   1HZ   LYS  70          1HZ       LYS  70  15.879 -11.011  -0.184
  585   2HZ   LYS  70          3HZ       LYS  70  16.449 -12.326   0.724
  586   3HZ   LYS  70          2HZ       LYS  70  16.768 -12.244  -0.943
  587    H    LYS  71           H        LYS  71  12.022  -9.184  -4.918
  588    HA   LYS  71           HA       LYS  71  13.522  -6.708  -4.170
  589   1HB   LYS  71          2HB       LYS  71  13.329  -8.289  -6.759
  590   2HB   LYS  71          1HB       LYS  71  14.171  -6.745  -6.632
  591   1HG   LYS  71          2HG       LYS  71  14.806  -9.059  -4.794
  592   2HG   LYS  71          1HG       LYS  71  15.598  -8.870  -6.357
  593   1HD   LYS  71          2HD       LYS  71  17.008  -7.354  -5.479
  594   2HD   LYS  71          1HD       LYS  71  15.643  -6.337  -5.016
  595   1HE   LYS  71          2HE       LYS  71  16.622  -6.772  -2.941
  596   2HE   LYS  71          1HE       LYS  71  15.405  -8.044  -3.029
  597   1HZ   LYS  71          3HZ       LYS  71  18.246  -8.357  -3.840
  598   2HZ   LYS  71          2HZ       LYS  71  17.596  -8.875  -2.358
  599   3HZ   LYS  71          1HZ       LYS  71  17.066  -9.577  -3.811
  600    H    ILE  72           H        ILE  72  11.830  -5.256  -3.753
  601    HA   ILE  72           HA       ILE  72   9.572  -5.065  -5.592
  602    HB   ILE  72           HB       ILE  72  10.310  -3.533  -3.115
  603   1HG1  ILE  72          2HG1      ILE  72   7.857  -4.970  -2.906
  604   2HG1  ILE  72          1HG1      ILE  72   9.063  -6.071  -3.566
  605   1HG2  ILE  72          3HG2      ILE  72   8.177  -3.138  -5.131
  606   2HG2  ILE  72          2HG2      ILE  72   7.679  -3.041  -3.442
  607   3HG2  ILE  72          1HG2      ILE  72   8.936  -1.968  -4.052
  608   1HD1  ILE  72          3HD1      ILE  72   9.707  -4.337  -1.193
  609   2HD1  ILE  72          2HD1      ILE  72   8.872  -5.877  -0.988
  610   3HD1  ILE  72          1HD1      ILE  72  10.481  -5.836  -1.707
  611    H    GLU  73           H        GLU  73  10.285  -4.293  -7.467
  612    HA   GLU  73           HA       GLU  73  11.989  -1.926  -7.631
  613   1HB   GLU  73          2HB       GLU  73  10.723  -3.852  -9.533
  614   2HB   GLU  73          1HB       GLU  73  11.045  -2.236 -10.149
  615   1HG   GLU  73          2HG       GLU  73  12.997  -3.603 -10.591
  616   2HG   GLU  73          1HG       GLU  73  13.411  -2.459  -9.316
  617    H    VAL  74           H        VAL  74  10.324  -0.881  -6.117
  618    HA   VAL  74           HA       VAL  74   7.689  -0.222  -6.785
  619    HB   VAL  74           HB       VAL  74   8.946   2.159  -5.701
  620   1HG1  VAL  74          3HG1      VAL  74   6.587   1.385  -5.436
  621   2HG1  VAL  74          2HG1      VAL  74   7.175   0.082  -4.402
  622   3HG1  VAL  74          1HG1      VAL  74   7.375   1.762  -3.904
  623   1HG2  VAL  74          3HG2      VAL  74   9.736  -0.489  -4.488
  624   2HG2  VAL  74          2HG2      VAL  74  10.749   0.917  -4.811
  625   3HG2  VAL  74          1HG2      VAL  74   9.578   0.959  -3.498
  626    H    GLU  75           H        GLU  75   7.076   0.410  -8.758
  627    HA   GLU  75           HA       GLU  75   8.754   2.203 -10.356
  628   1HB   GLU  75          2HB       GLU  75   6.787   0.227 -10.890
  629   2HB   GLU  75          1HB       GLU  75   6.143   1.749 -11.499
  630   1HG   GLU  75          2HG       GLU  75   7.580   1.733 -13.233
  631   2HG   GLU  75          1HG       GLU  75   8.955   1.522 -12.150
  632    H    PHE  76           H        PHE  76   8.529   3.911  -8.639
  633    HA   PHE  76           HA       PHE  76   6.115   5.577  -9.194
  634   1HB   PHE  76          2HB       PHE  76   5.830   6.106  -6.938
  635   2HB   PHE  76          1HB       PHE  76   6.310   4.418  -6.844
  636    HD1  PHE  76           HD1      PHE  76   8.901   3.983  -6.663
  637    HD2  PHE  76           HD2      PHE  76   6.987   7.697  -5.668
  638    HE1  PHE  76           HE1      PHE  76  10.848   4.608  -5.272
  639    HE2  PHE  76           HE2      PHE  76   8.934   8.323  -4.276
  640    HZ   PHE  76           HZ       PHE  76  10.868   6.784  -4.076
  641    H    ASP  77           H        ASP  77   9.004   5.447 -10.191
  642    HA   ASP  77           HA       ASP  77  10.805   6.855 -10.632
  643   1HB   ASP  77          2HB       ASP  77  10.097   9.107 -11.444
  644   2HB   ASP  77          1HB       ASP  77   9.147   7.791 -12.116
  645    H    LYS  78           H        LYS  78  11.034   9.707 -10.034
  646    HA   LYS  78           HA       LYS  78  12.398   9.568  -7.552
  647   1HB   LYS  78          2HB       LYS  78  12.606  11.356  -9.377
  648   2HB   LYS  78          1HB       LYS  78  11.178  12.102  -8.662
  649   1HG   LYS  78          2HG       LYS  78  13.019  13.187  -7.620
  650   2HG   LYS  78          1HG       LYS  78  12.445  12.020  -6.429
  651   1HD   LYS  78          2HD       LYS  78  14.250  10.535  -7.913
  652   2HD   LYS  78          1HD       LYS  78  15.010  12.125  -7.853
  653   1HE   LYS  78          2HE       LYS  78  15.796  11.131  -5.882
  654   2HE   LYS  78          1HE       LYS  78  14.398  12.039  -5.309
  655   1HZ   LYS  78          3HZ       LYS  78  14.273   9.189  -6.126
  656   2HZ   LYS  78          2HZ       LYS  78  14.522   9.692  -4.522
  657   3HZ   LYS  78          1HZ       LYS  78  13.077  10.087  -5.323
  658    H    GLY  79           H        GLY  79   9.077  10.639  -8.273
  659   1HA   GLY  79          2HA       GLY  79   7.800   9.778  -6.000
  660   2HA   GLY  79          1HA       GLY  79   8.514  11.306  -5.482
  661    H    GLN  80           H        GLN  80   5.642  10.318  -6.171
  662    HA   GLN  80           HA       GLN  80   4.801  11.976  -8.405
  663   1HB   GLN  80          2HB       GLN  80   3.345  10.486  -6.220
  664   2HB   GLN  80          1HB       GLN  80   2.477  11.567  -7.308
  665   1HG   GLN  80          2HG       GLN  80   2.330   9.434  -8.339
  666   2HG   GLN  80          1HG       GLN  80   3.598  10.276  -9.227
  667   1HE2  GLN  80          2HE2      GLN  80   4.993   7.578  -6.453
  668   2HE2  GLN  80          1HE2      GLN  80   3.761   8.650  -6.010
  669    H    ARG  81           H        ARG  81   4.260  12.228  -4.867
  670    HA   ARG  81           HA       ARG  81   3.873  14.093  -3.511
  671   1HB   ARG  81          2HB       ARG  81   6.206  14.516  -4.542
  672   2HB   ARG  81          1HB       ARG  81   5.390  15.689  -5.575
  673   1HG   ARG  81          2HG       ARG  81   5.897  17.094  -3.824
  674   2HG   ARG  81          1HG       ARG  81   4.377  16.453  -3.198
  675   1HD   ARG  81          2HD       ARG  81   6.949  15.000  -2.636
  676   2HD   ARG  81          1HD       ARG  81   6.512  16.411  -1.671
  677    HE   ARG  81           HE       ARG  81   4.225  14.855  -1.607
  678   1HH1  ARG  81          2HH1      ARG  81   5.588  12.355  -1.845
  679   2HH1  ARG  81          1HH1      ARG  81   6.189  12.023  -0.254
  680   1HH2  ARG  81          1HH2      ARG  81   5.855  15.302   0.845
  681   2HH2  ARG  81          2HH2      ARG  81   6.340  13.695   1.272
  682    H    THR  82           H        THR  82   1.826  13.454  -5.342
  683    HA   THR  82           HA       THR  82   0.688  16.149  -5.971
  684    HB   THR  82           HB       THR  82  -0.013  13.633  -7.445
  685    HG1  THR  82           HG1      THR  82   1.990  13.681  -8.099
  686   1HG2  THR  82          2HG2      THR  82  -1.175  16.070  -7.498
  687   2HG2  THR  82          1HG2      THR  82   0.068  16.315  -8.725
  688   3HG2  THR  82          3HG2      THR  82  -1.112  15.018  -8.912
  689    H    ASP  83           H        ASP  83  -1.741  14.155  -6.749
  690    HA   ASP  83           HA       ASP  83  -3.810  13.802  -5.668
  691   1HB   ASP  83          2HB       ASP  83  -1.974  11.850  -5.190
  692   2HB   ASP  83          1HB       ASP  83  -2.410  12.284  -3.540
  693    H    LYS  84           H        LYS  84  -3.929  13.146  -2.705
  694    HA   LYS  84           HA       LYS  84  -4.358  15.882  -1.764
  695   1HB   LYS  84          2HB       LYS  84  -5.510  13.441  -1.164
  696   2HB   LYS  84          1HB       LYS  84  -4.476  13.721   0.237
  697   1HG   LYS  84          2HG       LYS  84  -5.853  16.160  -0.519
  698   2HG   LYS  84          1HG       LYS  84  -7.005  14.855  -0.242
  699   1HD   LYS  84          2HD       LYS  84  -6.738  15.703   1.916
  700   2HD   LYS  84          1HD       LYS  84  -5.553  14.397   1.899
  701   1HE   LYS  84          2HE       LYS  84  -3.786  15.830   1.983
  702   2HE   LYS  84          1HE       LYS  84  -4.545  16.983   0.887
  703   1HZ   LYS  84          1HZ       LYS  84  -5.266  16.612   3.745
  704   2HZ   LYS  84          3HZ       LYS  84  -4.298  17.866   3.139
  705   3HZ   LYS  84          2HZ       LYS  84  -5.931  17.761   2.683
  706    H    TYR  85           H        TYR  85  -2.265  13.125  -0.854
  707    HA   TYR  85           HA       TYR  85  -0.516  15.018   0.659
  708   1HB   TYR  85          2HB       TYR  85  -0.233  12.015   0.718
  709   2HB   TYR  85          1HB       TYR  85   0.236  13.192   1.942
  710    HD1  TYR  85           HD2      TYR  85  -1.609  14.453   3.192
  711    HD2  TYR  85           HD1      TYR  85  -2.366  10.989   0.765
  712    HE1  TYR  85           HE2      TYR  85  -3.791  14.134   4.326
  713    HE2  TYR  85           HE1      TYR  85  -4.548  10.671   1.899
  714    HH   TYR  85           HH       TYR  85  -5.388  11.627   4.569
  715    H    GLY  86           H        GLY  86  -0.661  12.780  -2.049
  716   1HA   GLY  86          2HA       GLY  86   0.780  12.578  -3.897
  717   2HA   GLY  86          1HA       GLY  86   1.761  13.884  -3.221
  718    H    ARG  87           H        ARG  87   0.816  10.716  -1.901
  719    HA   ARG  87           HA       ARG  87   3.486  10.239  -0.850
  720   1HB   ARG  87          2HB       ARG  87   2.534   8.175  -0.005
  721   2HB   ARG  87          1HB       ARG  87   1.356   9.464   0.228
  722   1HG   ARG  87          2HG       ARG  87   0.688   8.582  -2.276
  723   2HG   ARG  87          1HG       ARG  87   1.213   7.082  -1.510
  724   1HD   ARG  87          2HD       ARG  87  -0.319   8.404   0.436
  725   2HD   ARG  87          1HD       ARG  87  -1.217   8.595  -1.073
  726    HE   ARG  87           HE       ARG  87  -0.617   5.929  -1.126
  727   1HH1  ARG  87          2HH1      ARG  87  -0.393   5.975   1.852
  728   2HH1  ARG  87          1HH1      ARG  87  -2.028   5.702   2.355
  729   1HH2  ARG  87          1HH2      ARG  87  -3.383   6.481  -0.744
  730   2HH2  ARG  87          2HH2      ARG  87  -3.728   6.002   0.883
  731    H    VAL  88           H        VAL  88   3.313   7.307  -1.545
  732    HA   VAL  88           HA       VAL  88   4.759   7.508  -4.105
  733    HB   VAL  88           HB       VAL  88   4.263   5.140  -2.282
  734   1HG1  VAL  88          3HG1      VAL  88   5.393   5.361  -4.927
  735   2HG1  VAL  88          2HG1      VAL  88   6.629   4.828  -3.789
  736   3HG1  VAL  88          1HG1      VAL  88   5.130   3.914  -3.955
  737   1HG2  VAL  88          2HG2      VAL  88   6.627   7.020  -2.540
  738   2HG2  VAL  88          1HG2      VAL  88   5.566   6.854  -1.141
  739   3HG2  VAL  88          3HG2      VAL  88   6.638   5.531  -1.597
  740    H    LEU  89           H        LEU  89   2.267   8.173  -4.703
  741    HA   LEU  89           HA       LEU  89   0.504   5.929  -5.238
  742   1HB   LEU  89          2HB       LEU  89   0.477   8.794  -6.237
  743   2HB   LEU  89          1HB       LEU  89  -0.808   7.625  -6.537
  744    HG   LEU  89           HG       LEU  89   0.063   8.814  -3.902
  745   1HD1  LEU  89          3HD1      LEU  89  -1.701   9.901  -5.353
  746   2HD1  LEU  89          2HD1      LEU  89  -2.683   8.454  -5.124
  747   3HD1  LEU  89          1HD1      LEU  89  -2.250   9.455  -3.737
  748   1HD2  LEU  89          1HD2      LEU  89  -1.340   6.212  -4.459
  749   2HD2  LEU  89          3HD2      LEU  89  -0.125   6.577  -3.236
  750   3HD2  LEU  89          2HD2      LEU  89  -1.781   7.146  -3.030
  751    H    ALA  90           H        ALA  90   2.074   4.586  -6.375
  752    HA   ALA  90           HA       ALA  90   2.007   5.113  -9.281
  753   1HB   ALA  90          1HB       ALA  90   4.187   6.004  -8.328
  754   2HB   ALA  90          3HB       ALA  90   4.592   4.341  -7.911
  755   3HB   ALA  90          2HB       ALA  90   4.356   4.797  -9.599
  756    H    TYR  91           H        TYR  91   4.220   2.623  -8.229
  757    HA   TYR  91           HA       TYR  91   2.160   0.613  -7.855
  758   1HB   TYR  91          2HB       TYR  91   3.187   1.129 -10.541
  759   2HB   TYR  91          1HB       TYR  91   3.306  -0.563 -10.045
  760    HD1  TYR  91           HD1      TYR  91   1.085  -0.990  -8.279
  761    HD2  TYR  91           HD2      TYR  91   1.248   1.387 -11.851
  762    HE1  TYR  91           HE1      TYR  91  -1.354  -1.237  -8.542
  763    HE2  TYR  91           HE2      TYR  91  -1.195   1.135 -12.121
  764    HH   TYR  91           HH       TYR  91  -2.944  -0.985 -11.111
  765    H    ILE  92           H        ILE  92   3.041  -1.627  -7.796
  766    HA   ILE  92           HA       ILE  92   5.900  -1.682  -6.897
  767    HB   ILE  92           HB       ILE  92   3.793  -3.393  -5.607
  768   1HG1  ILE  92          2HG1      ILE  92   2.953  -1.032  -5.498
  769   2HG1  ILE  92          1HG1      ILE  92   3.338  -1.704  -3.917
  770   1HG2  ILE  92          3HG2      ILE  92   6.354  -3.559  -5.305
  771   2HG2  ILE  92          2HG2      ILE  92   6.188  -2.100  -4.328
  772   3HG2  ILE  92          1HG2      ILE  92   5.344  -3.576  -3.861
  773   1HD1  ILE  92          1HD1      ILE  92   5.422  -0.162  -5.435
  774   2HD1  ILE  92          3HD1      ILE  92   4.187   0.695  -4.513
  775   3HD1  ILE  92          2HD1      ILE  92   5.281  -0.423  -3.698
  776    H    TYR  93           H        TYR  93   7.011  -3.228  -8.083
  777    HA   TYR  93           HA       TYR  93   5.518  -5.688  -8.889
  778   1HB   TYR  93          2HB       TYR  93   7.531  -4.354 -10.705
  779   2HB   TYR  93          1HB       TYR  93   6.466  -5.700 -11.084
  780    HD1  TYR  93           HD1      TYR  93   3.839  -4.970 -10.253
  781    HD2  TYR  93           HD2      TYR  93   6.953  -2.488 -11.828
  782    HE1  TYR  93           HE1      TYR  93   2.157  -3.341 -11.027
  783    HE2  TYR  93           HE2      TYR  93   5.288  -0.857 -12.608
  784    HH   TYR  93           HH       TYR  93   2.838  -0.889 -13.238
  785    H    ALA  94           H        ALA  94   6.673  -6.558  -6.975
  786    HA   ALA  94           HA       ALA  94   9.568  -6.891  -7.447
  787   1HB   ALA  94          2HB       ALA  94   7.904  -6.763  -5.070
  788   2HB   ALA  94          1HB       ALA  94   8.911  -8.210  -5.069
  789   3HB   ALA  94          3HB       ALA  94   9.649  -6.626  -5.205
  790    H    ASP  95           H        ASP  95   9.859  -8.576  -8.857
  791    HA   ASP  95           HA       ASP  95   9.786 -10.768  -9.708
  792   1HB   ASP  95          2HB       ASP  95   8.597 -11.392  -6.988
  793   2HB   ASP  95          1HB       ASP  95   9.217 -12.575  -8.136
  794    H    GLY  96           H        GLY  96   7.241  -8.839  -9.325
  795   1HA   GLY  96          2HA       GLY  96   5.179 -10.835 -10.135
  796   2HA   GLY  96          1HA       GLY  96   4.827  -9.266  -9.407
  797    H    LYS  97           H        LYS  97   6.055  -7.450 -10.672
  798    HA   LYS  97           HA       LYS  97   5.588  -6.098 -12.589
  799   1HB   LYS  97          2HB       LYS  97   6.876  -6.805 -14.558
  800   2HB   LYS  97          1HB       LYS  97   7.812  -7.095 -13.095
  801   1HG   LYS  97          2HG       LYS  97   7.299  -9.446 -13.143
  802   2HG   LYS  97          1HG       LYS  97   6.130  -9.219 -14.444
  803   1HD   LYS  97          2HD       LYS  97   8.378  -8.100 -15.541
  804   2HD   LYS  97          1HD       LYS  97   9.074  -9.397 -14.571
  805   1HE   LYS  97          2HE       LYS  97   7.977 -11.066 -15.767
  806   2HE   LYS  97          1HE       LYS  97   6.685  -9.985 -16.289
  807   1HZ   LYS  97          3HZ       LYS  97   8.267  -8.850 -17.726
  808   2HZ   LYS  97          2HZ       LYS  97   9.503  -9.907 -17.230
  809   3HZ   LYS  97          1HZ       LYS  97   8.177 -10.499 -18.111
  810    H    MET  98           H        MET  98   3.460  -7.698 -11.802
  811    HA   MET  98           HA       MET  98   2.125  -8.466 -14.354
  812   1HB   MET  98          2HB       MET  98   0.670  -9.871 -12.720
  813   2HB   MET  98          1HB       MET  98   2.292 -10.464 -13.081
  814   1HG   MET  98          2HG       MET  98   3.152  -9.430 -11.017
  815   2HG   MET  98          1HG       MET  98   1.553  -8.782 -10.660
  816   1HE   MET  98          3HE       MET  98   3.439 -11.666 -11.810
  817   2HE   MET  98          2HE       MET  98   3.758 -12.269 -10.186
  818   3HE   MET  98          1HE       MET  98   2.635 -13.132 -11.233
  819    H    VAL  99           H        VAL  99   1.733  -7.057 -11.111
  820    HA   VAL  99           HA       VAL  99  -0.950  -6.151 -11.347
  821    HB   VAL  99           HB       VAL  99   1.417  -4.923  -9.880
  822   1HG1  VAL  99          1HG1      VAL  99  -1.549  -4.341  -9.771
  823   2HG1  VAL  99          3HG1      VAL  99  -0.422  -3.851  -8.505
  824   3HG1  VAL  99          2HG1      VAL  99  -0.243  -3.214 -10.140
  825   1HG2  VAL  99          3HG2      VAL  99   0.633  -7.284  -9.274
  826   2HG2  VAL  99          2HG2      VAL  99   0.620  -6.107  -7.960
  827   3HG2  VAL  99          1HG2      VAL  99  -0.886  -6.544  -8.767
  828    H    ASN 100           H        ASN 100   2.061  -5.094 -12.737
  829    HA   ASN 100           HA       ASN 100   1.498  -2.406 -13.427
  830   1HB   ASN 100          2HB       ASN 100   3.162  -2.596 -15.110
  831   2HB   ASN 100          1HB       ASN 100   3.635  -3.768 -13.882
  832   1HD2  ASN 100          2HD2      ASN 100   2.840  -5.056 -17.609
  833   2HD2  ASN 100          1HD2      ASN 100   2.960  -3.409 -17.217
  834    H    GLU 101           H        GLU 101   0.254  -5.369 -14.913
  835    HA   GLU 101           HA       GLU 101  -0.968  -4.020 -17.183
  836   1HB   GLU 101          2HB       GLU 101  -1.289  -6.770 -15.964
  837   2HB   GLU 101          1HB       GLU 101  -2.256  -6.236 -17.338
  838   1HG   GLU 101          2HG       GLU 101  -0.520  -6.428 -18.785
  839   2HG   GLU 101          1HG       GLU 101   0.621  -5.705 -17.650
  840    H    ALA 102           H        ALA 102  -2.041  -5.010 -13.946
  841    HA   ALA 102           HA       ALA 102  -4.836  -4.572 -14.266
  842   1HB   ALA 102          2HB       ALA 102  -3.701  -5.656 -12.281
  843   2HB   ALA 102          1HB       ALA 102  -3.232  -4.043 -11.750
  844   3HB   ALA 102          3HB       ALA 102  -4.938  -4.474 -11.857
  845    H    LEU 103           HN       LEU 103  -5.992  -2.727 -14.519
  846    HA   LEU 103           HA       LEU 103  -4.729  -0.131 -13.743
  847   1HB   LEU 103          2HB       LEU 103  -5.856   0.866 -15.787
  848   2HB   LEU 103          1HB       LEU 103  -4.511  -0.219 -16.133
  849    HG   LEU 103           HG       LEU 103  -6.874  -1.814 -15.979
  850   1HD1  LEU 103          1HD1      LEU 103  -8.089   0.326 -16.389
  851   2HD1  LEU 103          3HD1      LEU 103  -7.143   0.549 -17.861
  852   3HD1  LEU 103          2HD1      LEU 103  -8.255  -0.813 -17.726
  853   1HD2  LEU 103          3HD2      LEU 103  -4.610  -1.785 -17.431
  854   2HD2  LEU 103          2HD2      LEU 103  -6.052  -2.649 -17.962
  855   3HD2  LEU 103          1HD2      LEU 103  -5.694  -1.047 -18.609
   
  No H/Q in entry =         855
  Start of MODEL           7
 Raw file had  866 H/Q atoms
  Start of MODEL    7
    1   1H    ALA   1          2H        ALA   1  15.620  13.248 -11.331
    2   2H    ALA   1          1H        ALA   1  14.287  13.866 -10.478
    3   3H    ALA   1          3H        ALA   1  14.854  12.301 -10.147
    4    HA   ALA   1           HA       ALA   1  14.221  11.557 -12.349
    5   1HB   ALA   1          2HB       ALA   1  12.597  11.650 -10.337
    6   2HB   ALA   1          1HB       ALA   1  11.866  13.028 -11.162
    7   3HB   ALA   1          3HB       ALA   1  11.893  11.446 -11.942
    8    H    THR   2           H        THR   2  13.632  12.073 -14.451
    9    HA   THR   2           HA       THR   2  13.936  14.863 -15.271
   10    HB   THR   2           HB       THR   2  13.637  13.981 -17.565
   11    HG1  THR   2           HG1      THR   2  13.413  11.408 -16.436
   12   1HG2  THR   2          2HG2      THR   2  15.842  13.831 -16.371
   13   2HG2  THR   2          1HG2      THR   2  15.433  12.174 -15.926
   14   3HG2  THR   2          3HG2      THR   2  15.626  12.609 -17.625
   15    H    SER   3           H        SER   3  12.237  15.640 -17.028
   16    HA   SER   3           HA       SER   3   9.585  15.504 -15.716
   17   1HB   SER   3          2HB       SER   3  10.822  17.414 -17.703
   18   2HB   SER   3          1HB       SER   3   9.100  17.442 -17.335
   19    HG   SER   3           HG       SER   3  10.137  18.847 -15.947
   20    H    THR   4           H        THR   4  10.614  13.300 -17.402
   21    HA   THR   4           HA       THR   4   8.336  13.183 -19.306
   22    HB   THR   4           HB       THR   4  10.444  13.875 -20.523
   23    HG1  THR   4           HG1      THR   4   9.219  12.934 -21.946
   24   1HG2  THR   4          3HG2      THR   4  11.912  12.397 -19.030
   25   2HG2  THR   4          2HG2      THR   4  11.356  11.041 -20.010
   26   3HG2  THR   4          1HG2      THR   4  12.260  12.356 -20.758
   27    H    LYS   5           H        LYS   5   9.401  11.885 -16.635
   28    HA   LYS   5           HA       LYS   5   9.595   9.055 -17.359
   29   1HB   LYS   5          2HB       LYS   5  10.390  10.570 -15.168
   30   2HB   LYS   5          1HB       LYS   5   9.039   9.623 -14.547
   31   1HG   LYS   5          2HG       LYS   5  10.605   7.995 -14.269
   32   2HG   LYS   5          1HG       LYS   5  10.381   7.732 -15.998
   33   1HD   LYS   5          2HD       LYS   5  12.701   7.990 -15.850
   34   2HD   LYS   5          1HD       LYS   5  12.177   9.626 -16.250
   35   1HE   LYS   5          2HE       LYS   5  12.371  10.347 -13.980
   36   2HE   LYS   5          1HE       LYS   5  12.530   8.692 -13.394
   37   1HZ   LYS   5          3HZ       LYS   5  14.625   8.527 -14.633
   38   2HZ   LYS   5          2HZ       LYS   5  14.480  10.156 -15.090
   39   3HZ   LYS   5          1HZ       LYS   5  14.675   9.745 -13.454
   40    H    LYS   6           H        LYS   6   8.092   7.593 -15.827
   41    HA   LYS   6           HA       LYS   6   5.393   8.410 -15.315
   42   1HB   LYS   6          2HB       LYS   6   4.250   7.280 -17.201
   43   2HB   LYS   6          1HB       LYS   6   5.247   8.617 -17.764
   44   1HG   LYS   6          2HG       LYS   6   6.157   5.722 -17.744
   45   2HG   LYS   6          1HG       LYS   6   5.470   6.529 -19.152
   46   1HD   LYS   6          2HD       LYS   6   7.339   8.341 -18.582
   47   2HD   LYS   6          1HD       LYS   6   8.119   6.950 -17.829
   48   1HE   LYS   6          2HE       LYS   6   8.907   6.524 -19.921
   49   2HE   LYS   6          1HE       LYS   6   7.292   5.882 -20.222
   50   1HZ   LYS   6          3HZ       LYS   6   6.610   8.068 -20.999
   51   2HZ   LYS   6          2HZ       LYS   6   8.170   8.678 -20.718
   52   3HZ   LYS   6          1HZ       LYS   6   7.921   7.489 -21.906
   53    H    LEU   7           H        LEU   7   7.613   5.782 -16.163
   54    HA   LEU   7           HA       LEU   7   6.410   4.142 -14.012
   55   1HB   LEU   7          2HB       LEU   7   6.686   3.336 -16.913
   56   2HB   LEU   7          1HB       LEU   7   6.680   2.128 -15.634
   57    HG   LEU   7           HG       LEU   7   4.493   4.170 -16.147
   58   1HD1  LEU   7          1HD1      LEU   7   4.585   1.165 -16.550
   59   2HD1  LEU   7          3HD1      LEU   7   3.154   2.175 -16.761
   60   3HD1  LEU   7          2HD1      LEU   7   4.545   2.382 -17.827
   61   1HD2  LEU   7          3HD2      LEU   7   4.881   3.460 -13.720
   62   2HD2  LEU   7          2HD2      LEU   7   3.274   3.130 -14.360
   63   3HD2  LEU   7          1HD2      LEU   7   4.452   1.827 -14.225
   64    H    HIS   8           H        HIS   8   8.323   4.619 -12.837
   65    HA   HIS   8           HA       HIS   8  10.943   3.929 -14.010
   66   1HB   HIS   8          2HB       HIS   8  10.153   5.861 -12.235
   67   2HB   HIS   8          1HB       HIS   8  10.808   4.640 -11.145
   68    HD1  HIS   8           HD1      HIS   8  11.974   5.781 -14.604
   69    HD2  HIS   8           HD2      HIS   8  13.432   5.380 -10.719
   70    HE1  HIS   8           HE1      HIS   8  14.429   6.389 -14.695
   71    H    LYS   9           H        LYS   9  12.231   3.035 -11.619
   72    HA   LYS   9           HA       LYS   9  10.906   0.724 -10.500
   73   1HB   LYS   9          2HB       LYS   9  12.632  -0.896 -11.589
   74   2HB   LYS   9          1HB       LYS   9  11.223  -0.422 -12.532
   75   1HG   LYS   9          2HG       LYS   9  12.755   0.113 -14.130
   76   2HG   LYS   9          1HG       LYS   9  12.987   1.577 -13.177
   77   1HD   LYS   9          2HD       LYS   9  15.131   0.976 -12.864
   78   2HD   LYS   9          1HD       LYS   9  14.565  -0.413 -11.937
   79   1HE   LYS   9          2HE       LYS   9  15.771  -1.493 -13.599
   80   2HE   LYS   9          1HE       LYS   9  14.176  -1.449 -14.348
   81   1HZ   LYS   9          1HZ       LYS   9  16.316   0.569 -14.773
   82   2HZ   LYS   9          3HZ       LYS   9  15.938  -0.687 -15.848
   83   3HZ   LYS   9          2HZ       LYS   9  14.800   0.535 -15.539
   84    H    GLU  10           H        GLU  10  11.899   0.297  -8.579
   85    HA   GLU  10           HA       GLU  10  14.785   0.565  -8.209
   86   1HB   GLU  10          2HB       GLU  10  13.536   2.926  -7.958
   87   2HB   GLU  10          1HB       GLU  10  13.191   2.289  -6.351
   88   1HG   GLU  10          2HG       GLU  10  15.967   1.826  -7.116
   89   2HG   GLU  10          1HG       GLU  10  15.557   3.540  -7.159
   90    HA   PRO  11           HA       PRO  11  13.696  -2.840  -5.642
   91   1HB   PRO  11          2HB       PRO  11  16.016  -2.191  -3.982
   92   2HB   PRO  11          1HB       PRO  11  15.699  -3.624  -4.971
   93   1HG   PRO  11          2HG       PRO  11  17.494  -1.555  -5.610
   94   2HG   PRO  11          1HG       PRO  11  16.906  -2.802  -6.718
   95   1HD   PRO  11          2HD       PRO  11  16.265   0.040  -6.694
   96   2HD   PRO  11          1HD       PRO  11  15.812  -1.188  -7.894
   97    H    ALA  12           H        ALA  12  12.562  -3.133  -3.815
   98    HA   ALA  12           HA       ALA  12  12.426  -0.956  -1.774
   99   1HB   ALA  12          3HB       ALA  12  10.138  -2.457  -3.073
  100   2HB   ALA  12          2HB       ALA  12   9.969  -1.398  -1.677
  101   3HB   ALA  12          1HB       ALA  12  10.490  -0.737  -3.222
  102    H    THR  13           H        THR  13  10.386  -2.450  -0.260
  103    HA   THR  13           HA       THR  13  11.558  -5.086   0.281
  104    HB   THR  13           HB       THR  13  13.043  -3.631   1.589
  105    HG1  THR  13           HG1      THR  13  12.796  -5.377   2.762
  106   1HG2  THR  13          2HG2      THR  13  10.828  -2.012   1.868
  107   2HG2  THR  13          1HG2      THR  13  10.985  -2.723   3.474
  108   3HG2  THR  13          3HG2      THR  13  12.335  -1.836   2.766
  109    H    LEU  14           H        LEU  14   9.921  -6.425   0.817
  110    HA   LEU  14           HA       LEU  14   7.216  -5.628   0.954
  111   1HB   LEU  14          2HB       LEU  14   7.327  -7.879   0.533
  112   2HB   LEU  14          1HB       LEU  14   8.765  -8.097   1.524
  113    HG   LEU  14           HG       LEU  14   6.451  -7.383   3.143
  114   1HD1  LEU  14          2HD1      LEU  14   6.176  -9.528   1.107
  115   2HD1  LEU  14          1HD1      LEU  14   5.644  -9.919   2.742
  116   3HD1  LEU  14          3HD1      LEU  14   4.934  -8.549   1.887
  117   1HD2  LEU  14          1HD2      LEU  14   8.739  -8.489   3.719
  118   2HD2  LEU  14          3HD2      LEU  14   7.296  -9.084   4.537
  119   3HD2  LEU  14          2HD2      LEU  14   7.973  -9.983   3.180
  120    H    ILE  15           H        ILE  15   6.302  -4.377   2.512
  121    HA   ILE  15           HA       ILE  15   7.098  -4.945   5.324
  122    HB   ILE  15           HB       ILE  15   6.681  -2.464   5.784
  123   1HG1  ILE  15          2HG1      ILE  15   7.276  -2.056   2.865
  124   2HG1  ILE  15          1HG1      ILE  15   5.604  -2.268   3.389
  125   1HG2  ILE  15          1HG2      ILE  15   8.932  -3.493   5.695
  126   2HG2  ILE  15          3HG2      ILE  15   8.984  -3.207   3.956
  127   3HG2  ILE  15          2HG2      ILE  15   8.948  -1.843   5.073
  128   1HD1  ILE  15          3HD1      ILE  15   6.339  -0.470   5.221
  129   2HD1  ILE  15          2HD1      ILE  15   7.503  -0.038   3.969
  130   3HD1  ILE  15          1HD1      ILE  15   5.774   0.022   3.626
  131    H    LYS  16           H        LYS  16   4.856  -5.992   3.810
  132    HA   LYS  16           HA       LYS  16   2.732  -6.692   4.592
  133   1HB   LYS  16          2HB       LYS  16   2.617  -4.071   6.117
  134   2HB   LYS  16          1HB       LYS  16   1.420  -5.359   6.181
  135   1HG   LYS  16          2HG       LYS  16   4.239  -6.145   6.728
  136   2HG   LYS  16          1HG       LYS  16   3.430  -5.182   7.964
  137   1HD   LYS  16          2HD       LYS  16   1.566  -6.796   8.011
  138   2HD   LYS  16          1HD       LYS  16   2.368  -7.760   6.771
  139   1HE   LYS  16          2HE       LYS  16   4.341  -7.977   8.324
  140   2HE   LYS  16          1HE       LYS  16   3.374  -7.195   9.573
  141   1HZ   LYS  16          3HZ       LYS  16   1.711  -8.960   9.290
  142   2HZ   LYS  16          2HZ       LYS  16   2.731  -9.734   8.172
  143   3HZ   LYS  16          1HZ       LYS  16   3.213  -9.567   9.792
  144    H    ALA  17           H        ALA  17   0.406  -5.793   4.287
  145    HA   ALA  17           HA       ALA  17   0.265  -3.672   2.208
  146   1HB   ALA  17          1HB       ALA  17  -0.740  -6.515   1.850
  147   2HB   ALA  17          3HB       ALA  17  -1.147  -5.173   0.781
  148   3HB   ALA  17          2HB       ALA  17   0.523  -5.721   0.908
  149    H    ILE  18           H        ILE  18  -1.615  -2.544   2.285
  150    HA   ILE  18           HA       ILE  18  -3.271  -2.730   4.623
  151    HB   ILE  18           HB       ILE  18  -3.256  -1.130   2.092
  152   1HG1  ILE  18          2HG1      ILE  18  -3.572   0.569   4.218
  153   2HG1  ILE  18          1HG1      ILE  18  -2.716  -0.775   4.975
  154   1HG2  ILE  18          1HG2      ILE  18  -5.595  -1.470   3.964
  155   2HG2  ILE  18          3HG2      ILE  18  -5.314   0.084   3.178
  156   3HG2  ILE  18          2HG2      ILE  18  -5.593  -1.359   2.204
  157   1HD1  ILE  18          2HD1      ILE  18  -1.087  -0.659   3.004
  158   2HD1  ILE  18          1HD1      ILE  18  -1.839   0.885   2.606
  159   3HD1  ILE  18          3HD1      ILE  18  -1.014   0.679   4.150
  160    H    ASP  19           H        ASP  19  -4.257  -3.112   1.187
  161    HA   ASP  19           HA       ASP  19  -5.661  -5.587   1.615
  162   1HB   ASP  19          2HB       ASP  19  -7.034  -3.520   2.726
  163   2HB   ASP  19          1HB       ASP  19  -7.648  -3.433   1.078
  164    H    GLY  20           H        GLY  20  -7.758  -4.949  -0.397
  165   1HA   GLY  20          2HA       GLY  20  -6.057  -5.086  -2.794
  166   2HA   GLY  20          1HA       GLY  20  -7.807  -5.306  -2.749
  167    H    ASP  21           H        ASP  21  -5.911  -2.562  -1.493
  168    HA   ASP  21           HA       ASP  21  -6.960  -0.800  -3.633
  169   1HB   ASP  21          2HB       ASP  21  -7.159   0.157  -0.789
  170   2HB   ASP  21          1HB       ASP  21  -8.056   0.695  -2.206
  171    H    THR  22           H        THR  22  -5.069  -0.932  -0.607
  172    HA   THR  22           HA       THR  22  -2.978   0.735  -1.947
  173    HB   THR  22           HB       THR  22  -3.155   0.812   1.019
  174    HG1  THR  22           HG1      THR  22  -5.247   1.194   0.795
  175   1HG2  THR  22          3HG2      THR  22  -2.475   2.662  -1.242
  176   2HG2  THR  22          2HG2      THR  22  -2.843   3.324   0.351
  177   3HG2  THR  22          1HG2      THR  22  -1.497   2.202   0.151
  178    H    VAL  23           H        VAL  23  -0.791   0.417  -0.612
  179    HA   VAL  23           HA       VAL  23  -0.489  -2.303   0.503
  180    HB   VAL  23           HB       VAL  23   1.596  -2.528  -1.081
  181   1HG1  VAL  23          1HG1      VAL  23  -0.559  -3.921  -0.994
  182   2HG1  VAL  23          3HG1      VAL  23  -1.129  -2.916  -2.326
  183   3HG1  VAL  23          2HG1      VAL  23   0.312  -3.911  -2.528
  184   1HG2  VAL  23          3HG2      VAL  23   1.167  -0.197  -2.030
  185   2HG2  VAL  23          2HG2      VAL  23   1.379  -1.478  -3.224
  186   3HG2  VAL  23          1HG2      VAL  23  -0.239  -0.885  -2.843
  187    H    LYS  24           H        LYS  24   1.703  -2.606   1.537
  188    HA   LYS  24           HA       LYS  24   2.742   0.052   2.421
  189   1HB   LYS  24          2HB       LYS  24   1.931  -2.075   3.954
  190   2HB   LYS  24          1HB       LYS  24   3.668  -2.362   3.848
  191   1HG   LYS  24          2HG       LYS  24   4.179  -0.211   4.749
  192   2HG   LYS  24          1HG       LYS  24   2.515   0.338   4.561
  193   1HD   LYS  24          2HD       LYS  24   1.941  -0.499   6.571
  194   2HD   LYS  24          1HD       LYS  24   2.607  -2.079   6.158
  195   1HE   LYS  24          2HE       LYS  24   3.870  -1.336   8.037
  196   2HE   LYS  24          1HE       LYS  24   4.912  -1.070   6.640
  197   1HZ   LYS  24          3HZ       LYS  24   3.175   0.995   7.884
  198   2HZ   LYS  24          2HZ       LYS  24   4.848   0.845   8.142
  199   3HZ   LYS  24          1HZ       LYS  24   4.256   1.234   6.598
  200    H    LEU  25           H        LEU  25   4.705   0.656   1.652
  201    HA   LEU  25           HA       LEU  25   6.660  -1.451   0.898
  202   1HB   LEU  25          2HB       LEU  25   5.227  -0.754  -1.097
  203   2HB   LEU  25          1HB       LEU  25   5.968   0.835  -0.963
  204    HG   LEU  25           HG       LEU  25   7.035  -0.813  -2.618
  205   1HD1  LEU  25          2HD1      LEU  25   8.066   1.252  -1.140
  206   2HD1  LEU  25          1HD1      LEU  25   9.189  -0.051  -0.760
  207   3HD1  LEU  25          3HD1      LEU  25   8.925   0.423  -2.437
  208   1HD2  LEU  25          2HD2      LEU  25   6.925  -2.631  -0.691
  209   2HD2  LEU  25          1HD2      LEU  25   8.261  -2.627  -1.841
  210   3HD2  LEU  25          3HD2      LEU  25   8.477  -1.929  -0.237
  211    H    MET  26           H        MET  26   8.714  -0.893   1.454
  212    HA   MET  26           HA       MET  26   9.245   1.952   2.226
  213   1HB   MET  26          2HB       MET  26   9.318   0.325   4.125
  214   2HB   MET  26          1HB       MET  26  10.578  -0.567   3.280
  215   1HG   MET  26          2HG       MET  26  11.855   1.683   3.216
  216   2HG   MET  26          1HG       MET  26  10.712   2.205   4.452
  217   1HE   MET  26          3HE       MET  26  13.327   0.265   3.183
  218   2HE   MET  26          2HE       MET  26  14.444   0.452   4.533
  219   3HE   MET  26          1HE       MET  26  13.655  -1.100   4.259
  220    H    TYR  27           H        TYR  27  10.038   2.622   0.210
  221    HA   TYR  27           HA       TYR  27  12.178   1.029  -1.079
  222   1HB   TYR  27          2HB       TYR  27  11.768   2.266  -3.038
  223   2HB   TYR  27          1HB       TYR  27  10.170   2.127  -2.310
  224    HD1  TYR  27           HD2      TYR  27   9.327   4.055  -0.851
  225    HD2  TYR  27           HD1      TYR  27  12.750   4.381  -3.424
  226    HE1  TYR  27           HE2      TYR  27   9.175   6.523  -0.735
  227    HE2  TYR  27           HE1      TYR  27  12.600   6.852  -3.307
  228    HH   TYR  27           HH       TYR  27  10.100   8.510  -2.561
  229    H    LYS  28           H        LYS  28  11.748   4.219   0.472
  230    HA   LYS  28           HA       LYS  28  14.675   4.644   0.169
  231   1HB   LYS  28          2HB       LYS  28  14.290   7.010   0.412
  232   2HB   LYS  28          1HB       LYS  28  13.152   6.403  -0.785
  233   1HG   LYS  28          2HG       LYS  28  11.419   7.124   0.455
  234   2HG   LYS  28          1HG       LYS  28  11.970   6.161   1.826
  235   1HD   LYS  28          2HD       LYS  28  12.101   8.301   2.726
  236   2HD   LYS  28          1HD       LYS  28  13.733   8.117   2.086
  237   1HE   LYS  28          2HE       LYS  28  13.288   9.468   0.213
  238   2HE   LYS  28          1HE       LYS  28  11.543   9.273   0.371
  239   1HZ   LYS  28          1HZ       LYS  28  11.673  10.533   2.467
  240   2HZ   LYS  28          3HZ       LYS  28  13.325  10.801   2.190
  241   3HZ   LYS  28          2HZ       LYS  28  12.171  11.445   1.122
  242    H    GLY  29           H        GLY  29  13.405   2.946   2.209
  243   1HA   GLY  29          2HA       GLY  29  14.136   2.489   4.416
  244   2HA   GLY  29          1HA       GLY  29  14.773   4.126   4.520
  245    H    GLN  30           H        GLN  30  11.793   4.748   3.389
  246    HA   GLN  30           HA       GLN  30  10.659   4.843   6.142
  247   1HB   GLN  30          2HB       GLN  30   9.567   6.886   5.619
  248   2HB   GLN  30          1HB       GLN  30  11.198   7.048   4.977
  249   1HG   GLN  30          2HG       GLN  30  10.334   6.368   2.729
  250   2HG   GLN  30          1HG       GLN  30   8.705   6.348   3.399
  251   1HE2  GLN  30          2HE2      GLN  30   9.522   9.735   1.862
  252   2HE2  GLN  30          1HE2      GLN  30   9.704   8.157   1.266
  253    HA   PRO  31           HA       PRO  31   7.674   1.975   4.464
  254   1HB   PRO  31          2HB       PRO  31   6.307   1.925   6.960
  255   2HB   PRO  31          1HB       PRO  31   7.501   0.756   6.383
  256   1HG   PRO  31          2HG       PRO  31   7.810   2.735   8.481
  257   2HG   PRO  31          1HG       PRO  31   8.963   1.498   7.964
  258   1HD   PRO  31          2HD       PRO  31   9.068   4.339   7.460
  259   2HD   PRO  31          1HD       PRO  31  10.237   3.097   6.965
  260    H    MET  32           H        MET  32   6.010   2.816   3.229
  261    HA   MET  32           HA       MET  32   4.201   4.828   4.510
  262   1HB   MET  32          2HB       MET  32   5.197   4.842   1.646
  263   2HB   MET  32          1HB       MET  32   4.060   5.995   2.343
  264   1HG   MET  32          2HG       MET  32   5.873   6.481   4.095
  265   2HG   MET  32          1HG       MET  32   6.976   5.613   3.028
  266   1HE   MET  32          1HE       MET  32   6.758   6.075   0.342
  267   2HE   MET  32          3HE       MET  32   7.448   7.663  -0.021
  268   3HE   MET  32          2HE       MET  32   8.210   6.620   1.177
  269    H    THR  33           H        THR  33   2.490   5.022   2.182
  270    HA   THR  33           HA       THR  33   1.361   2.269   2.031
  271    HB   THR  33           HB       THR  33  -0.916   3.383   2.018
  272    HG1  THR  33           HG1      THR  33  -0.763   5.461   1.797
  273   1HG2  THR  33          1HG2      THR  33   0.263   2.314   4.040
  274   2HG2  THR  33          3HG2      THR  33   0.580   3.967   4.570
  275   3HG2  THR  33          2HG2      THR  33  -1.081   3.406   4.377
  276    H    PHE  34           H        PHE  34   2.086   1.852   0.009
  277    HA   PHE  34           HA       PHE  34   1.957   3.780  -2.172
  278   1HB   PHE  34          2HB       PHE  34   2.669   0.856  -1.947
  279   2HB   PHE  34          1HB       PHE  34   2.668   1.707  -3.489
  280    HD1  PHE  34           HD1      PHE  34   3.766   2.700  -0.023
  281    HD2  PHE  34           HD2      PHE  34   4.842   2.129  -4.139
  282    HE1  PHE  34           HE1      PHE  34   6.026   3.605   0.442
  283    HE2  PHE  34           HE2      PHE  34   7.107   3.035  -3.674
  284    HZ   PHE  34           HZ       PHE  34   7.694   3.772  -1.382
  285    H    ARG  35           H        ARG  35   0.579   3.569  -4.066
  286    HA   ARG  35           HA       ARG  35  -2.060   2.532  -3.437
  287   1HB   ARG  35          2HB       ARG  35  -2.793   3.635  -5.381
  288   2HB   ARG  35          1HB       ARG  35  -1.511   4.665  -4.771
  289   1HG   ARG  35          2HG       ARG  35  -0.003   3.175  -6.372
  290   2HG   ARG  35          1HG       ARG  35  -1.539   2.913  -7.200
  291   1HD   ARG  35          2HD       ARG  35  -1.420   5.664  -6.581
  292   2HD   ARG  35          1HD       ARG  35   0.155   5.243  -7.230
  293    HE   ARG  35           HE       ARG  35  -2.125   5.664  -8.782
  294   1HH1  ARG  35          2HH1      ARG  35  -3.002   3.166  -9.354
  295   2HH1  ARG  35          1HH1      ARG  35  -1.867   2.446 -10.434
  296   1HH2  ARG  35          1HH2      ARG  35   0.674   4.694  -9.694
  297   2HH2  ARG  35          2HH2      ARG  35   0.224   3.310 -10.628
  298    H    LEU  36           H        LEU  36  -2.620   0.466  -3.735
  299    HA   LEU  36           HA       LEU  36  -1.044  -1.486  -5.141
  300   1HB   LEU  36          2HB       LEU  36  -2.503  -2.393  -3.519
  301   2HB   LEU  36          1HB       LEU  36  -3.856  -1.398  -4.043
  302    HG   LEU  36           HG       LEU  36  -2.868  -3.200  -6.140
  303   1HD1  LEU  36          3HD1      LEU  36  -4.085  -4.344  -3.609
  304   2HD1  LEU  36          2HD1      LEU  36  -3.839  -5.233  -5.111
  305   3HD1  LEU  36          1HD1      LEU  36  -2.450  -4.648  -4.196
  306   1HD2  LEU  36          1HD2      LEU  36  -5.027  -1.807  -6.032
  307   2HD2  LEU  36          3HD2      LEU  36  -5.202  -3.488  -6.536
  308   3HD2  LEU  36          2HD2      LEU  36  -5.615  -3.013  -4.889
  309    H    LEU  37           H        LEU  37  -3.747   0.561  -5.956
  310    HA   LEU  37           HA       LEU  37  -3.177   0.500  -8.807
  311   1HB   LEU  37          2HB       LEU  37  -4.679  -1.587  -8.225
  312   2HB   LEU  37          1HB       LEU  37  -5.961  -0.390  -8.048
  313    HG   LEU  37           HG       LEU  37  -4.592   0.250 -10.447
  314   1HD1  LEU  37          3HD1      LEU  37  -3.690  -2.061 -10.386
  315   2HD1  LEU  37          2HD1      LEU  37  -5.335  -2.688 -10.272
  316   3HD1  LEU  37          1HD1      LEU  37  -4.814  -1.838 -11.726
  317   1HD2  LEU  37          2HD2      LEU  37  -7.016   0.556  -9.882
  318   2HD2  LEU  37          1HD2      LEU  37  -6.768  -0.206 -11.453
  319   3HD2  LEU  37          3HD2      LEU  37  -7.241  -1.182 -10.062
  320    H    LEU  38           H        LEU  38  -3.320   2.319  -6.520
  321    HA   LEU  38           HA       LEU  38  -4.112   4.385  -5.870
  322   1HB   LEU  38          2HB       LEU  38  -4.251   5.916  -7.531
  323   2HB   LEU  38          1HB       LEU  38  -3.606   4.581  -8.468
  324    HG   LEU  38           HG       LEU  38  -6.404   4.217  -8.500
  325   1HD1  LEU  38          1HD1      LEU  38  -6.024   6.851  -7.848
  326   2HD1  LEU  38          3HD1      LEU  38  -6.040   6.930  -9.610
  327   3HD1  LEU  38          2HD1      LEU  38  -7.416   6.242  -8.746
  328   1HD2  LEU  38          3HD2      LEU  38  -4.791   3.706 -10.311
  329   2HD2  LEU  38          2HD2      LEU  38  -6.134   4.683 -10.903
  330   3HD2  LEU  38          1HD2      LEU  38  -4.569   5.434 -10.590
  331    H    VAL  39           H        VAL  39  -5.883   1.922  -5.879
  332    HA   VAL  39           HA       VAL  39  -8.615   2.778  -6.195
  333    HB   VAL  39           HB       VAL  39  -7.404   0.574  -4.489
  334   1HG1  VAL  39          2HG1      VAL  39 -10.227   1.396  -5.100
  335   2HG1  VAL  39          1HG1      VAL  39  -9.863  -0.322  -4.947
  336   3HG1  VAL  39          3HG1      VAL  39  -9.546   0.769  -3.600
  337   1HG2  VAL  39          2HG2      VAL  39  -7.944   0.877  -7.352
  338   2HG2  VAL  39          1HG2      VAL  39  -7.013  -0.364  -6.513
  339   3HG2  VAL  39          3HG2      VAL  39  -8.762  -0.526  -6.665
  340    H    ASP  40           H        ASP  40  -9.027   4.699  -5.095
  341    HA   ASP  40           HA       ASP  40  -9.338   4.510  -2.187
  342   1HB   ASP  40          2HB       ASP  40  -6.896   5.284  -2.780
  343   2HB   ASP  40          1HB       ASP  40  -7.670   6.824  -3.148
  344    H    THR  41           H        THR  41 -11.222   4.823  -4.280
  345    HA   THR  41           HA       THR  41 -12.089   7.658  -3.953
  346    HB   THR  41           HB       THR  41 -12.403   5.657  -6.185
  347    HG1  THR  41           HG1      THR  41 -10.793   7.042  -6.560
  348   1HG2  THR  41          3HG2      THR  41 -14.258   7.886  -5.425
  349   2HG2  THR  41          2HG2      THR  41 -13.984   7.526  -7.130
  350   3HG2  THR  41          1HG2      THR  41 -14.638   6.284  -6.060
  351    HA   PRO  42           HA       PRO  42 -15.094   5.570  -1.304
  352   1HB   PRO  42          2HB       PRO  42 -16.161   8.159  -0.665
  353   2HB   PRO  42          1HB       PRO  42 -15.134   7.130   0.344
  354   1HG   PRO  42          2HG       PRO  42 -14.401   9.579  -0.994
  355   2HG   PRO  42          1HG       PRO  42 -13.384   8.552   0.024
  356   1HD   PRO  42          2HD       PRO  42 -13.282   8.857  -2.845
  357   2HD   PRO  42          1HD       PRO  42 -12.251   7.844  -1.815
  358    H    GLU  43           H        GLU  43 -17.617   5.985  -1.126
  359    HA   GLU  43           HA       GLU  43 -18.865   7.248  -3.441
  360   1HB   GLU  43          2HB       GLU  43 -19.842   5.222  -4.388
  361   2HB   GLU  43          1HB       GLU  43 -18.087   5.073  -4.385
  362   1HG   GLU  43          2HG       GLU  43 -18.389   3.100  -3.325
  363   2HG   GLU  43          1HG       GLU  43 -18.823   4.049  -1.903
  364    H    THR  44           H        THR  44 -21.075   7.563  -3.118
  365    HA   THR  44           HA       THR  44 -22.028   7.054  -0.362
  366    HB   THR  44           HB       THR  44 -22.224   9.337  -1.406
  367    HG1  THR  44           HG1      THR  44 -23.773   9.448  -0.022
  368   1HG2  THR  44          2HG2      THR  44 -22.853   8.312  -3.695
  369   2HG2  THR  44          1HG2      THR  44 -24.484   8.180  -3.037
  370   3HG2  THR  44          3HG2      THR  44 -23.718   9.762  -3.188
  371    H    LYS  45           H        LYS  45 -24.008   5.965   0.082
  372    HA   LYS  45           HA       LYS  45 -25.501   4.695  -2.112
  373   1HB   LYS  45          2HB       LYS  45 -23.346   3.295  -1.096
  374   2HB   LYS  45          1HB       LYS  45 -24.689   2.676  -0.138
  375   1HG   LYS  45          2HG       LYS  45 -25.936   2.442  -2.394
  376   2HG   LYS  45          1HG       LYS  45 -24.346   2.624  -3.136
  377   1HD   LYS  45          2HD       LYS  45 -24.822   0.609  -0.940
  378   2HD   LYS  45          1HD       LYS  45 -25.159   0.220  -2.626
  379   1HE   LYS  45          2HE       LYS  45 -22.845   0.742  -3.241
  380   2HE   LYS  45          1HE       LYS  45 -22.493   1.222  -1.581
  381   1HZ   LYS  45          3HZ       LYS  45 -23.437  -1.484  -2.350
  382   2HZ   LYS  45          2HZ       LYS  45 -21.801  -1.076  -2.154
  383   3HZ   LYS  45          1HZ       LYS  45 -22.864  -0.990  -0.832
  384    H    HIS  46           H        HIS  46 -27.366   3.396  -1.200
  385    HA   HIS  46           HA       HIS  46 -28.611   4.894   0.983
  386   1HB   HIS  46          2HB       HIS  46 -30.603   3.590   0.480
  387   2HB   HIS  46          1HB       HIS  46 -29.880   4.117  -1.035
  388    HD1  HIS  46           HD1      HIS  46 -28.650   2.294  -2.475
  389    HD2  HIS  46           HD2      HIS  46 -30.566   0.794   0.910
  390    HE1  HIS  46           HE1      HIS  46 -28.735  -0.221  -2.756
  391    HA   PRO  47           HA       PRO  47 -27.765   2.331   4.423
  392   1HB   PRO  47          2HB       PRO  47 -30.493   2.023   5.293
  393   2HB   PRO  47          1HB       PRO  47 -29.266   3.132   5.921
  394   1HG   PRO  47          2HG       PRO  47 -31.567   3.783   4.312
  395   2HG   PRO  47          1HG       PRO  47 -30.336   4.887   4.940
  396   1HD   PRO  47          2HD       PRO  47 -30.710   4.029   2.215
  397   2HD   PRO  47          1HD       PRO  47 -29.470   5.128   2.850
  398    H    LYS  48           H        LYS  48 -27.178   0.246   3.989
  399    HA   LYS  48           HA       LYS  48 -29.225  -1.845   3.819
  400   1HB   LYS  48          2HB       LYS  48 -28.450  -2.758   1.666
  401   2HB   LYS  48          1HB       LYS  48 -29.059  -1.118   1.455
  402   1HG   LYS  48          2HG       LYS  48 -26.774  -0.232   1.490
  403   2HG   LYS  48          1HG       LYS  48 -26.132  -1.848   1.786
  404   1HD   LYS  48          2HD       LYS  48 -27.810  -2.067  -0.484
  405   2HD   LYS  48          1HD       LYS  48 -26.831  -0.619  -0.728
  406   1HE   LYS  48          2HE       LYS  48 -24.785  -1.880  -0.351
  407   2HE   LYS  48          1HE       LYS  48 -25.709  -3.324   0.060
  408   1HZ   LYS  48          3HZ       LYS  48 -25.821  -1.946  -2.568
  409   2HZ   LYS  48          2HZ       LYS  48 -24.882  -3.324  -2.242
  410   3HZ   LYS  48          1HZ       LYS  48 -26.576  -3.409  -2.159
  411    H    LYS  49           H        LYS  49 -28.237  -4.024   3.953
  412    HA   LYS  49           HA       LYS  49 -25.970  -4.077   5.738
  413   1HB   LYS  49          2HB       LYS  49 -26.155  -6.515   5.601
  414   2HB   LYS  49          1HB       LYS  49 -27.760  -5.805   5.762
  415   1HG   LYS  49          2HG       LYS  49 -28.309  -7.047   3.949
  416   2HG   LYS  49          1HG       LYS  49 -27.395  -5.860   3.017
  417   1HD   LYS  49          2HD       LYS  49 -25.581  -7.251   2.763
  418   2HD   LYS  49          1HD       LYS  49 -25.832  -8.035   4.324
  419   1HE   LYS  49          2HE       LYS  49 -27.807  -9.218   3.383
  420   2HE   LYS  49          1HE       LYS  49 -27.477  -8.482   1.815
  421   1HZ   LYS  49          3HZ       LYS  49 -25.601 -10.230   3.317
  422   2HZ   LYS  49          2HZ       LYS  49 -26.546 -10.716   1.991
  423   3HZ   LYS  49          1HZ       LYS  49 -25.324  -9.553   1.787
  424    H    GLY  50           H        GLY  50 -23.815  -4.667   5.325
  425   1HA   GLY  50          2HA       GLY  50 -22.975  -4.425   2.486
  426   2HA   GLY  50          1HA       GLY  50 -21.923  -4.232   3.887
  427    H    VAL  51           H        VAL  51 -20.378  -5.752   3.214
  428    HA   VAL  51           HA       VAL  51 -21.030  -8.547   3.761
  429    HB   VAL  51           HB       VAL  51 -21.718  -8.285   1.370
  430   1HG1  VAL  51          1HG1      VAL  51 -19.932  -6.500   0.927
  431   2HG1  VAL  51          3HG1      VAL  51 -18.786  -7.832   0.784
  432   3HG1  VAL  51          2HG1      VAL  51 -20.147  -7.718  -0.329
  433   1HG2  VAL  51          1HG2      VAL  51 -20.757 -10.426   2.311
  434   2HG2  VAL  51          3HG2      VAL  51 -20.551 -10.242   0.570
  435   3HG2  VAL  51          2HG2      VAL  51 -19.194  -9.940   1.655
  436    H    GLU  52           H        GLU  52 -19.196  -9.655   4.415
  437    HA   GLU  52           HA       GLU  52 -16.856  -8.166   5.122
  438   1HB   GLU  52          2HB       GLU  52 -17.591 -10.233   6.299
  439   2HB   GLU  52          1HB       GLU  52 -17.158 -11.177   4.874
  440   1HG   GLU  52          2HG       GLU  52 -15.348 -11.232   6.558
  441   2HG   GLU  52          1HG       GLU  52 -14.815 -10.434   5.080
  442    H    LYS  53           H        LYS  53 -15.141  -7.602   3.887
  443    HA   LYS  53           HA       LYS  53 -14.489  -9.246   1.482
  444   1HB   LYS  53          2HB       LYS  53 -15.233  -6.375   1.620
  445   2HB   LYS  53          1HB       LYS  53 -13.844  -6.759   0.604
  446   1HG   LYS  53          2HG       LYS  53 -16.149  -8.584   0.289
  447   2HG   LYS  53          1HG       LYS  53 -16.442  -6.926  -0.234
  448   1HD   LYS  53          2HD       LYS  53 -15.526  -7.774  -2.177
  449   2HD   LYS  53          1HD       LYS  53 -14.049  -7.246  -1.369
  450   1HE   LYS  53          2HE       LYS  53 -14.141  -9.670  -0.310
  451   2HE   LYS  53          1HE       LYS  53 -15.121 -10.021  -1.732
  452   1HZ   LYS  53          1HZ       LYS  53 -13.336  -9.105  -3.110
  453   2HZ   LYS  53          3HZ       LYS  53 -12.386  -8.865  -1.725
  454   3HZ   LYS  53          2HZ       LYS  53 -12.814 -10.440  -2.199
  455    H    TYR  54           H        TYR  54 -12.329  -9.645   1.271
  456    HA   TYR  54           HA       TYR  54 -10.403  -7.964   2.820
  457   1HB   TYR  54          2HB       TYR  54 -10.667 -10.977   2.828
  458   2HB   TYR  54          1HB       TYR  54  -9.157 -10.178   3.261
  459    HD1  TYR  54           HD2      TYR  54  -9.781  -7.914   4.829
  460    HD2  TYR  54           HD1      TYR  54 -11.854 -11.673   4.699
  461    HE1  TYR  54           HE2      TYR  54 -10.648  -7.515   7.118
  462    HE2  TYR  54           HE1      TYR  54 -12.720 -11.275   6.987
  463    HH   TYR  54           HH       TYR  54 -11.657  -9.618   9.093
  464    H    GLY  55           H        GLY  55 -10.529 -10.689   0.481
  465   1HA   GLY  55          2HA       GLY  55  -8.484  -9.227  -1.144
  466   2HA   GLY  55          1HA       GLY  55  -8.409 -10.972  -0.914
  467    HA   PRO  56           HA       PRO  56 -11.763  -9.450  -4.157
  468   1HB   PRO  56          2HB       PRO  56  -9.945  -8.539  -6.179
  469   2HB   PRO  56          1HB       PRO  56 -11.153  -7.592  -5.302
  470   1HG   PRO  56          2HG       PRO  56  -8.284  -7.497  -5.013
  471   2HG   PRO  56          1HG       PRO  56  -9.495  -6.537  -4.155
  472   1HD   PRO  56          2HD       PRO  56  -7.907  -8.716  -3.127
  473   2HD   PRO  56          1HD       PRO  56  -9.101  -7.729  -2.262
  474    H    GLU  57           H        GLU  57 -11.006  -9.924  -6.924
  475    HA   GLU  57           HA       GLU  57 -10.044 -12.752  -6.754
  476   1HB   GLU  57          2HB       GLU  57 -11.457 -12.880  -9.011
  477   2HB   GLU  57          1HB       GLU  57 -12.219 -13.116  -7.443
  478   1HG   GLU  57          2HG       GLU  57 -12.069 -10.295  -8.328
  479   2HG   GLU  57          1HG       GLU  57 -13.089 -11.328  -9.324
  480    H    ALA  58           H        ALA  58 -10.469 -10.172  -9.229
  481    HA   ALA  58           HA       ALA  58  -8.087 -11.121 -10.666
  482   1HB   ALA  58          2HB       ALA  58  -9.886  -8.718 -11.113
  483   2HB   ALA  58          1HB       ALA  58  -8.581  -9.212 -12.192
  484   3HB   ALA  58          3HB       ALA  58  -9.980 -10.261 -11.962
  485    H    SER  59           H        SER  59  -9.070  -8.165  -8.902
  486    HA   SER  59           HA       SER  59  -6.431  -6.971  -9.022
  487   1HB   SER  59          2HB       SER  59  -7.414  -5.531  -7.103
  488   2HB   SER  59          1HB       SER  59  -8.172  -5.415  -8.687
  489    HG   SER  59           HG       SER  59  -9.735  -5.700  -7.075
  490    H    ALA  60           H        ALA  60  -7.867  -9.430  -7.042
  491    HA   ALA  60           HA       ALA  60  -6.388  -9.131  -4.624
  492   1HB   ALA  60          2HB       ALA  60  -7.858 -11.305  -5.980
  493   2HB   ALA  60          1HB       ALA  60  -6.574 -11.850  -4.899
  494   3HB   ALA  60          3HB       ALA  60  -7.870 -10.825  -4.282
  495    H    PHE  61           H        PHE  61  -5.504 -10.516  -7.766
  496    HA   PHE  61           HA       PHE  61  -3.073 -11.810  -7.005
  497   1HB   PHE  61          2HB       PHE  61  -3.889 -10.457  -9.596
  498   2HB   PHE  61          1HB       PHE  61  -2.402 -11.387  -9.413
  499    HD1  PHE  61           HD2      PHE  61  -2.751 -13.788  -8.278
  500    HD2  PHE  61           HD1      PHE  61  -5.784 -11.574 -10.364
  501    HE1  PHE  61           HE2      PHE  61  -4.015 -15.886  -8.670
  502    HE2  PHE  61           HE1      PHE  61  -7.046 -13.671 -10.755
  503    HZ   PHE  61           HZ       PHE  61  -6.162 -15.827  -9.908
  504    H    THR  62           H        THR  62  -3.803  -8.453  -7.878
  505    HA   THR  62           HA       THR  62  -1.069  -7.512  -7.743
  506    HB   THR  62           HB       THR  62  -3.686  -5.988  -7.500
  507    HG1  THR  62           HG1      THR  62  -3.725  -6.525  -9.526
  508   1HG2  THR  62          3HG2      THR  62  -0.829  -5.079  -7.886
  509   2HG2  THR  62          2HG2      THR  62  -2.224  -4.051  -8.207
  510   3HG2  THR  62          1HG2      THR  62  -1.923  -4.644  -6.575
  511    H    LYS  63           H        LYS  63  -3.671  -7.991  -5.409
  512    HA   LYS  63           HA       LYS  63  -2.694  -6.436  -3.233
  513   1HB   LYS  63          2HB       LYS  63  -4.873  -7.948  -3.522
  514   2HB   LYS  63          1HB       LYS  63  -3.860  -9.154  -2.728
  515   1HG   LYS  63          2HG       LYS  63  -3.556  -7.777  -0.801
  516   2HG   LYS  63          1HG       LYS  63  -4.216  -6.363  -1.622
  517   1HD   LYS  63          2HD       LYS  63  -6.013  -7.095  -0.286
  518   2HD   LYS  63          1HD       LYS  63  -6.380  -7.780  -1.869
  519   1HE   LYS  63          2HE       LYS  63  -6.373  -9.840  -0.969
  520   2HE   LYS  63          1HE       LYS  63  -4.685  -9.627  -0.510
  521   1HZ   LYS  63          2HZ       LYS  63  -7.002  -8.675   1.086
  522   2HZ   LYS  63          1HZ       LYS  63  -6.145 -10.109   1.389
  523   3HZ   LYS  63          3HZ       LYS  63  -5.366  -8.610   1.539
  524    H    LYS  64           H        LYS  64  -1.827  -9.617  -4.464
  525    HA   LYS  64           HA       LYS  64   0.124 -10.159  -2.366
  526   1HB   LYS  64          2HB       LYS  64  -0.697 -11.513  -4.949
  527   2HB   LYS  64          1HB       LYS  64   0.702 -12.067  -4.030
  528   1HG   LYS  64          2HG       LYS  64  -0.734 -13.297  -2.809
  529   2HG   LYS  64          1HG       LYS  64  -1.272 -11.776  -2.099
  530   1HD   LYS  64          2HD       LYS  64  -3.141 -11.631  -3.475
  531   2HD   LYS  64          1HD       LYS  64  -2.421 -12.638  -4.731
  532   1HE   LYS  64          2HE       LYS  64  -3.893 -14.167  -3.817
  533   2HE   LYS  64          1HE       LYS  64  -2.485 -14.472  -2.800
  534   1HZ   LYS  64          3HZ       LYS  64  -3.385 -12.907  -1.174
  535   2HZ   LYS  64          2HZ       LYS  64  -4.757 -12.672  -2.149
  536   3HZ   LYS  64          1HZ       LYS  64  -4.455 -14.193  -1.456
  537    H    MET  65           H        MET  65   1.938 -11.160  -4.789
  538    HA   MET  65           HA       MET  65   3.744 -10.317  -6.001
  539   1HB   MET  65          2HB       MET  65   2.611  -8.955  -7.450
  540   2HB   MET  65          1HB       MET  65   1.686  -8.185  -6.170
  541   1HG   MET  65          2HG       MET  65   4.524  -7.488  -6.039
  542   2HG   MET  65          1HG       MET  65   3.797  -7.044  -7.580
  543   1HE   MET  65          2HE       MET  65   2.246  -5.452  -8.058
  544   2HE   MET  65          1HE       MET  65   0.881  -6.154  -7.193
  545   3HE   MET  65          3HE       MET  65   1.284  -4.446  -6.979
  546    H    LEU  66           H        LEU  66   2.720  -7.666  -3.820
  547    HA   LEU  66           HA       LEU  66   5.495  -7.260  -2.941
  548   1HB   LEU  66          2HB       LEU  66   4.451  -5.197  -3.143
  549   2HB   LEU  66          1HB       LEU  66   2.879  -5.828  -2.670
  550    HG   LEU  66           HG       LEU  66   4.003  -6.143  -0.317
  551   1HD1  LEU  66          1HD1      LEU  66   5.777  -4.060  -1.623
  552   2HD1  LEU  66          3HD1      LEU  66   5.720  -4.385   0.108
  553   3HD1  LEU  66          2HD1      LEU  66   6.290  -5.629  -1.003
  554   1HD2  LEU  66          3HD2      LEU  66   2.203  -4.470  -1.111
  555   2HD2  LEU  66          2HD2      LEU  66   3.111  -4.055   0.342
  556   3HD2  LEU  66          1HD2      LEU  66   3.518  -3.299  -1.198
  557    H    GLU  67           H        GLU  67   2.651  -9.018  -1.885
  558    HA   GLU  67           HA       GLU  67   3.449  -9.041   0.937
  559   1HB   GLU  67          2HB       GLU  67   1.513 -10.282   1.339
  560   2HB   GLU  67          1HB       GLU  67   1.061  -9.311  -0.060
  561   1HG   GLU  67          2HG       GLU  67   1.231 -11.134  -1.537
  562   2HG   GLU  67          1HG       GLU  67   2.246 -12.058  -0.434
  563    H    ASN  68           H        ASN  68   4.708 -10.630  -1.748
  564    HA   ASN  68           HA       ASN  68   5.805 -12.772   0.017
  565   1HB   ASN  68          2HB       ASN  68   5.583 -14.414  -1.766
  566   2HB   ASN  68          1HB       ASN  68   4.007 -13.702  -1.425
  567   1HD2  ASN  68          2HD2      ASN  68   3.941 -11.867  -4.560
  568   2HD2  ASN  68          1HD2      ASN  68   3.451 -11.717  -2.940
  569    H    ALA  69           H        ALA  69   6.302 -10.783  -2.902
  570    HA   ALA  69           HA       ALA  69   8.930 -11.770  -3.525
  571   1HB   ALA  69          3HB       ALA  69   7.482 -10.417  -5.067
  572   2HB   ALA  69          2HB       ALA  69   7.841  -9.001  -4.079
  573   3HB   ALA  69          1HB       ALA  69   9.139  -9.829  -4.942
  574    H    LYS  70           H        LYS  70  10.968 -10.934  -3.044
  575    HA   LYS  70           HA       LYS  70  11.114  -9.371  -0.508
  576   1HB   LYS  70          2HB       LYS  70  12.342 -11.644  -0.931
  577   2HB   LYS  70          1HB       LYS  70  13.469 -10.670  -1.874
  578   1HG   LYS  70          2HG       LYS  70  13.798  -9.189   0.100
  579   2HG   LYS  70          1HG       LYS  70  12.740 -10.244   1.039
  580   1HD   LYS  70          2HD       LYS  70  15.033 -11.501  -0.412
  581   2HD   LYS  70          1HD       LYS  70  15.387 -10.578   1.049
  582   1HE   LYS  70          2HE       LYS  70  14.202 -12.027   2.421
  583   2HE   LYS  70          1HE       LYS  70  13.136 -12.554   1.118
  584   1HZ   LYS  70          1HZ       LYS  70  16.019 -13.230   1.344
  585   2HZ   LYS  70          3HZ       LYS  70  14.740 -14.266   1.753
  586   3HZ   LYS  70          2HZ       LYS  70  14.953 -13.776   0.140
  587    H    LYS  71           H        LYS  71  12.610  -9.526  -3.749
  588    HA   LYS  71           HA       LYS  71  13.658  -6.768  -3.471
  589   1HB   LYS  71          2HB       LYS  71  14.204  -9.062  -5.169
  590   2HB   LYS  71          1HB       LYS  71  13.898  -7.632  -6.155
  591   1HG   LYS  71          2HG       LYS  71  15.595  -6.374  -4.952
  592   2HG   LYS  71          1HG       LYS  71  15.832  -7.708  -3.821
  593   1HD   LYS  71          2HD       LYS  71  16.815  -9.090  -5.476
  594   2HD   LYS  71          1HD       LYS  71  16.220  -8.077  -6.792
  595   1HE   LYS  71          2HE       LYS  71  18.458  -7.418  -6.663
  596   2HE   LYS  71          1HE       LYS  71  17.668  -6.209  -5.652
  597   1HZ   LYS  71          1HZ       LYS  71  18.902  -8.712  -4.636
  598   2HZ   LYS  71          3HZ       LYS  71  19.650  -7.190  -4.610
  599   3HZ   LYS  71          2HZ       LYS  71  18.239  -7.458  -3.701
  600    H    ILE  72           H        ILE  72  12.684  -4.961  -4.563
  601    HA   ILE  72           HA       ILE  72  10.399  -5.563  -6.315
  602    HB   ILE  72           HB       ILE  72  10.192  -4.173  -3.669
  603   1HG1  ILE  72          2HG1      ILE  72   8.613  -6.343  -5.074
  604   2HG1  ILE  72          1HG1      ILE  72   9.685  -6.552  -3.691
  605   1HG2  ILE  72          3HG2      ILE  72   9.200  -2.874  -5.756
  606   2HG2  ILE  72          2HG2      ILE  72   7.920  -4.075  -5.612
  607   3HG2  ILE  72          1HG2      ILE  72   8.282  -3.004  -4.260
  608   1HD1  ILE  72          3HD1      ILE  72   7.886  -4.564  -2.888
  609   2HD1  ILE  72          2HD1      ILE  72   6.894  -5.743  -3.748
  610   3HD1  ILE  72          1HD1      ILE  72   7.880  -6.252  -2.379
  611    H    GLU  73           H        GLU  73  10.664  -4.357  -8.032
  612    HA   GLU  73           HA       GLU  73  12.188  -1.838  -7.923
  613   1HB   GLU  73          2HB       GLU  73  10.954  -3.413 -10.204
  614   2HB   GLU  73          1HB       GLU  73  11.796  -1.881 -10.426
  615   1HG   GLU  73          2HG       GLU  73  13.358  -3.705  -8.784
  616   2HG   GLU  73          1HG       GLU  73  12.966  -4.427 -10.344
  617    H    VAL  74           H        VAL  74  10.528  -0.781  -6.545
  618    HA   VAL  74           HA       VAL  74   7.822  -0.397  -7.162
  619    HB   VAL  74           HB       VAL  74   9.000   2.137  -6.312
  620   1HG1  VAL  74          1HG1      VAL  74   6.801   0.357  -5.709
  621   2HG1  VAL  74          3HG1      VAL  74   7.554   0.965  -4.234
  622   3HG1  VAL  74          2HG1      VAL  74   6.940   2.096  -5.443
  623   1HG2  VAL  74          1HG2      VAL  74   9.795  -0.388  -4.869
  624   2HG2  VAL  74          3HG2      VAL  74  10.814   0.973  -5.336
  625   3HG2  VAL  74          2HG2      VAL  74   9.649   1.152  -4.026
  626    H    GLU  75           H        GLU  75   6.950   0.207  -9.034
  627    HA   GLU  75           HA       GLU  75   8.384   2.154 -10.774
  628   1HB   GLU  75          2HB       GLU  75   7.815  -0.035 -11.773
  629   2HB   GLU  75          1HB       GLU  75   6.119   0.217 -11.370
  630   1HG   GLU  75          2HG       GLU  75   5.841   1.867 -12.985
  631   2HG   GLU  75          1HG       GLU  75   7.553   2.277 -13.009
  632    H    PHE  76           H        PHE  76   7.704   4.188 -10.009
  633    HA   PHE  76           HA       PHE  76   4.790   4.682 -10.215
  634   1HB   PHE  76          2HB       PHE  76   4.807   5.985  -8.100
  635   2HB   PHE  76          1HB       PHE  76   5.107   4.268  -7.887
  636    HD1  PHE  76           HD1      PHE  76   7.502   3.459  -7.554
  637    HD2  PHE  76           HD2      PHE  76   6.374   7.600  -7.355
  638    HE1  PHE  76           HE1      PHE  76   9.612   3.979  -6.359
  639    HE2  PHE  76           HE2      PHE  76   8.485   8.120  -6.167
  640    HZ   PHE  76           HZ       PHE  76  10.103   6.308  -5.665
  641    H    ASP  77           H        ASP  77   6.327   5.467 -12.209
  642    HA   ASP  77           HA       ASP  77   7.175   7.248 -13.459
  643   1HB   ASP  77          2HB       ASP  77   5.651   9.056 -13.651
  644   2HB   ASP  77          1HB       ASP  77   4.678   7.669 -13.187
  645    H    LYS  78           H        LYS  78   7.611   9.831 -13.256
  646    HA   LYS  78           HA       LYS  78   9.916  10.040 -11.524
  647   1HB   LYS  78          2HB       LYS  78  10.012  12.395 -12.308
  648   2HB   LYS  78          1HB       LYS  78   9.793  11.274 -13.647
  649   1HG   LYS  78          2HG       LYS  78   7.187  11.904 -12.782
  650   2HG   LYS  78          1HG       LYS  78   8.063  13.434 -12.772
  651   1HD   LYS  78          2HD       LYS  78   8.712  13.156 -15.081
  652   2HD   LYS  78          1HD       LYS  78   8.071  11.513 -15.112
  653   1HE   LYS  78          2HE       LYS  78   5.797  12.402 -14.693
  654   2HE   LYS  78          1HE       LYS  78   6.446  14.042 -14.711
  655   1HZ   LYS  78          2HZ       LYS  78   6.572  12.107 -16.962
  656   2HZ   LYS  78          1HZ       LYS  78   5.521  13.438 -16.857
  657   3HZ   LYS  78          3HZ       LYS  78   7.194  13.688 -16.979
  658    H    GLY  79           H        GLY  79   9.332   9.852  -9.315
  659   1HA   GLY  79          2HA       GLY  79   8.860  10.906  -7.250
  660   2HA   GLY  79          1HA       GLY  79   8.120  12.242  -8.130
  661    H    GLN  80           H        GLN  80   6.967  11.054  -5.862
  662    HA   GLN  80           HA       GLN  80   4.923   9.122  -6.529
  663   1HB   GLN  80          2HB       GLN  80   5.425  10.967  -4.205
  664   2HB   GLN  80          1HB       GLN  80   3.903  10.081  -4.322
  665   1HG   GLN  80          2HG       GLN  80   4.949   7.997  -4.156
  666   2HG   GLN  80          1HG       GLN  80   6.511   8.627  -4.679
  667   1HE2  GLN  80          2HE2      GLN  80   5.423   9.619  -0.829
  668   2HE2  GLN  80          1HE2      GLN  80   4.252   9.691  -2.055
  669    H    ARG  81           H        ARG  81   5.079  12.650  -6.565
  670    HA   ARG  81           HA       ARG  81   3.704  14.147  -7.762
  671   1HB   ARG  81          2HB       ARG  81   3.020  12.032  -9.113
  672   2HB   ARG  81          1HB       ARG  81   1.589  12.026  -8.084
  673   1HG   ARG  81          2HG       ARG  81   0.965  13.298  -9.992
  674   2HG   ARG  81          1HG       ARG  81   1.298  14.489  -8.735
  675   1HD   ARG  81          2HD       ARG  81   3.774  13.966 -10.010
  676   2HD   ARG  81          1HD       ARG  81   2.588  14.159 -11.298
  677    HE   ARG  81           HE       ARG  81   3.691  16.331 -10.046
  678   1HH1  ARG  81          1HH2      ARG  81   1.978  16.729  -7.897
  679   2HH1  ARG  81          2HH2      ARG  81   0.535  17.439  -8.542
  680   1HH2  ARG  81          2HH1      ARG  81   1.207  16.479 -11.814
  681   2HH2  ARG  81          1HH1      ARG  81   0.098  17.298 -10.765
  682    H    THR  82           H        THR  82   2.016  11.910  -5.526
  683    HA   THR  82           HA       THR  82   0.327  14.163  -4.591
  684    HB   THR  82           HB       THR  82  -0.601  12.207  -3.094
  685    HG1  THR  82           HG1      THR  82   0.201  10.337  -3.545
  686   1HG2  THR  82          3HG2      THR  82  -0.999  12.432  -6.087
  687   2HG2  THR  82          2HG2      THR  82  -2.079  11.551  -5.008
  688   3HG2  THR  82          1HG2      THR  82  -1.890  13.295  -4.835
  689    H    ASP  83           H        ASP  83   1.307  11.626  -2.376
  690    HA   ASP  83           HA       ASP  83   2.513  11.675  -0.386
  691   1HB   ASP  83          2HB       ASP  83   4.303  12.540  -2.033
  692   2HB   ASP  83          1HB       ASP  83   3.931  14.142  -1.398
  693    H    LYS  84           H        LYS  84   0.209  13.837  -1.145
  694    HA   LYS  84           HA       LYS  84   0.299  15.063   1.559
  695   1HB   LYS  84          2HB       LYS  84  -0.277  16.569  -1.015
  696   2HB   LYS  84          1HB       LYS  84  -0.459  17.233   0.608
  697   1HG   LYS  84          2HG       LYS  84   2.160  16.084  -0.381
  698   2HG   LYS  84          1HG       LYS  84   1.735  17.781  -0.592
  699   1HD   LYS  84          2HD       LYS  84   1.827  18.234   1.686
  700   2HD   LYS  84          1HD       LYS  84   1.482  16.565   2.137
  701   1HE   LYS  84          2HE       LYS  84   3.882  16.408   0.711
  702   2HE   LYS  84          1HE       LYS  84   4.056  17.860   1.697
  703   1HZ   LYS  84          1HZ       LYS  84   3.410  16.562   3.640
  704   2HZ   LYS  84          3HZ       LYS  84   3.281  15.166   2.683
  705   3HZ   LYS  84          2HZ       LYS  84   4.793  15.910   2.898
  706    H    TYR  85           H        TYR  85  -1.232  12.895   0.015
  707    HA   TYR  85           HA       TYR  85  -3.690  12.896   1.264
  708   1HB   TYR  85          2HB       TYR  85  -4.634  14.815   0.328
  709   2HB   TYR  85          1HB       TYR  85  -3.703  14.670  -1.162
  710    HD1  TYR  85           HD1      TYR  85  -6.470  13.040   0.765
  711    HD2  TYR  85           HD2      TYR  85  -4.659  13.685  -3.078
  712    HE1  TYR  85           HE1      TYR  85  -8.363  11.868  -0.323
  713    HE2  TYR  85           HE2      TYR  85  -6.556  12.518  -4.166
  714    HH   TYR  85           HH       TYR  85  -8.419  10.537  -2.983
  715    H    GLY  86           H        GLY  86  -2.223  12.512  -1.956
  716   1HA   GLY  86          2HA       GLY  86  -3.715  10.056  -2.511
  717   2HA   GLY  86          1HA       GLY  86  -2.476  10.774  -3.533
  718    H    ARG  87           H        ARG  87  -1.362  10.551  -0.336
  719    HA   ARG  87           HA       ARG  87   0.272   9.202   0.660
  720   1HB   ARG  87          2HB       ARG  87  -0.941   6.962  -0.964
  721   2HB   ARG  87          1HB       ARG  87  -0.049   6.826   0.544
  722   1HG   ARG  87          2HG       ARG  87  -2.019   6.850   1.582
  723   2HG   ARG  87          1HG       ARG  87  -2.118   8.557   1.159
  724   1HD   ARG  87          2HD       ARG  87  -4.125   7.153   0.454
  725   2HD   ARG  87          1HD       ARG  87  -3.368   8.080  -0.839
  726    HE   ARG  87           HE       ARG  87  -2.093   5.612  -0.957
  727   1HH1  ARG  87          2HH1      ARG  87  -4.713   4.561   0.146
  728   2HH1  ARG  87          1HH1      ARG  87  -5.584   4.212  -1.309
  729   1HH2  ARG  87          1HH2      ARG  87  -3.482   6.097  -3.333
  730   2HH2  ARG  87          2HH2      ARG  87  -4.884   5.082  -3.285
  731    H    VAL  88           H        VAL  88   1.261   6.753  -0.703
  732    HA   VAL  88           HA       VAL  88   3.237   8.043  -2.477
  733    HB   VAL  88           HB       VAL  88   3.050   5.238  -1.366
  734   1HG1  VAL  88          2HG1      VAL  88   4.991   6.676  -3.095
  735   2HG1  VAL  88          1HG1      VAL  88   5.700   5.715  -1.801
  736   3HG1  VAL  88          3HG1      VAL  88   4.645   4.953  -2.989
  737   1HG2  VAL  88          1HG2      VAL  88   4.412   7.734  -0.328
  738   2HG2  VAL  88          3HG2      VAL  88   3.267   6.689   0.513
  739   3HG2  VAL  88          2HG2      VAL  88   4.901   6.118   0.180
  740    H    LEU  89           H        LEU  89   1.343   8.230  -4.134
  741    HA   LEU  89           HA       LEU  89   0.091   5.962  -5.304
  742   1HB   LEU  89          2HB       LEU  89   1.036   8.497  -6.711
  743   2HB   LEU  89          1HB       LEU  89  -0.137   7.349  -7.353
  744    HG   LEU  89           HG       LEU  89  -0.476   8.908  -4.774
  745   1HD1  LEU  89          1HD1      LEU  89  -1.608   9.302  -7.554
  746   2HD1  LEU  89          3HD1      LEU  89  -2.273  10.077  -6.115
  747   3HD1  LEU  89          2HD1      LEU  89  -0.624  10.436  -6.628
  748   1HD2  LEU  89          3HD2      LEU  89  -1.645   6.717  -4.823
  749   2HD2  LEU  89          2HD2      LEU  89  -2.785   8.062  -4.858
  750   3HD2  LEU  89          1HD2      LEU  89  -2.419   7.178  -6.338
  751    H    ALA  90           H        ALA  90   1.441   4.207  -5.577
  752    HA   ALA  90           HA       ALA  90   3.384   4.301  -7.766
  753   1HB   ALA  90          3HB       ALA  90   4.181   3.829  -4.884
  754   2HB   ALA  90          2HB       ALA  90   5.202   3.387  -6.251
  755   3HB   ALA  90          1HB       ALA  90   4.790   5.078  -5.967
  756    H    TYR  91           H        TYR  91   3.642   2.294  -8.704
  757    HA   TYR  91           HA       TYR  91   2.008   0.073  -7.670
  758   1HB   TYR  91          2HB       TYR  91   3.491   0.659 -10.190
  759   2HB   TYR  91          1HB       TYR  91   3.306  -1.039  -9.749
  760    HD1  TYR  91           HD2      TYR  91   0.849  -1.654  -8.839
  761    HD2  TYR  91           HD1      TYR  91   1.788   1.629 -11.446
  762    HE1  TYR  91           HE2      TYR  91  -1.509  -1.586  -9.606
  763    HE2  TYR  91           HE1      TYR  91  -0.570   1.695 -12.207
  764    HH   TYR  91           HH       TYR  91  -2.546  -0.355 -12.238
  765    H    ILE  92           H        ILE  92   3.171  -2.180  -7.582
  766    HA   ILE  92           HA       ILE  92   5.941  -1.806  -6.487
  767    HB   ILE  92           HB       ILE  92   3.906  -3.650  -5.206
  768   1HG1  ILE  92          2HG1      ILE  92   3.153  -1.260  -5.052
  769   2HG1  ILE  92          1HG1      ILE  92   3.568  -1.950  -3.485
  770   1HG2  ILE  92          2HG2      ILE  92   6.581  -2.507  -4.350
  771   2HG2  ILE  92          1HG2      ILE  92   5.534  -3.472  -3.311
  772   3HG2  ILE  92          3HG2      ILE  92   6.236  -4.188  -4.760
  773   1HD1  ILE  92          1HD1      ILE  92   5.976  -0.883  -4.508
  774   2HD1  ILE  92          3HD1      ILE  92   4.738   0.331  -4.830
  775   3HD1  ILE  92          2HD1      ILE  92   5.007  -0.240  -3.184
  776    H    TYR  93           H        TYR  93   7.182  -2.929  -7.898
  777    HA   TYR  93           HA       TYR  93   6.086  -5.501  -8.913
  778   1HB   TYR  93          2HB       TYR  93   8.137  -3.670 -10.165
  779   2HB   TYR  93          1HB       TYR  93   7.562  -5.183 -10.864
  780    HD1  TYR  93           HD2      TYR  93   4.662  -4.555  -9.559
  781    HD2  TYR  93           HD1      TYR  93   7.318  -2.530 -12.244
  782    HE1  TYR  93           HE2      TYR  93   2.747  -3.388 -10.546
  783    HE2  TYR  93           HE1      TYR  93   5.398  -1.363 -13.245
  784    HH   TYR  93           HH       TYR  93   2.993  -0.689 -12.417
  785    H    ALA  94           H        ALA  94   7.583  -7.231  -9.336
  786    HA   ALA  94           HA       ALA  94  10.197  -7.147  -8.042
  787   1HB   ALA  94          1HB       ALA  94   8.467  -7.743  -6.268
  788   2HB   ALA  94          3HB       ALA  94   8.159  -9.214  -7.190
  789   3HB   ALA  94          2HB       ALA  94   9.753  -8.928  -6.491
  790    H    ASP  95           H        ASP  95  10.106 -10.175  -8.001
  791    HA   ASP  95           HA       ASP  95  11.164 -10.655 -10.617
  792   1HB   ASP  95          2HB       ASP  95  11.580 -11.969  -8.466
  793   2HB   ASP  95          1HB       ASP  95  10.036 -12.765  -8.770
  794    H    GLY  96           H        GLY  96   9.597  -9.999 -12.177
  795   1HA   GLY  96          2HA       GLY  96   7.897 -10.447 -13.753
  796   2HA   GLY  96          1HA       GLY  96   7.654 -12.012 -12.974
  797    H    LYS  97           H        LYS  97   7.607  -9.134 -11.051
  798    HA   LYS  97           HA       LYS  97   4.681  -9.491 -10.753
  799   1HB   LYS  97          2HB       LYS  97   6.794  -9.246  -8.839
  800   2HB   LYS  97          1HB       LYS  97   5.711  -7.864  -8.675
  801   1HG   LYS  97          2HG       LYS  97   4.652  -9.420  -7.326
  802   2HG   LYS  97          1HG       LYS  97   3.827  -9.678  -8.863
  803   1HD   LYS  97          2HD       LYS  97   5.551 -11.485  -9.352
  804   2HD   LYS  97          1HD       LYS  97   6.074 -11.327  -7.675
  805   1HE   LYS  97          2HE       LYS  97   4.059 -12.155  -6.828
  806   2HE   LYS  97          1HE       LYS  97   3.160 -11.741  -8.288
  807   1HZ   LYS  97          3HZ       LYS  97   4.368 -13.474  -9.471
  808   2HZ   LYS  97          2HZ       LYS  97   5.213 -13.876  -8.054
  809   3HZ   LYS  97          1HZ       LYS  97   3.534 -14.116  -8.140
  810    H    MET  98           H        MET  98   5.023  -8.115 -12.885
  811    HA   MET  98           HA       MET  98   5.250  -5.238 -12.285
  812   1HB   MET  98          2HB       MET  98   5.693  -6.883 -14.620
  813   2HB   MET  98          1HB       MET  98   4.442  -5.698 -14.985
  814   1HG   MET  98          2HG       MET  98   6.520  -4.642 -15.513
  815   2HG   MET  98          1HG       MET  98   5.996  -3.941 -13.982
  816   1HE   MET  98          1HE       MET  98   8.144  -3.065 -14.155
  817   2HE   MET  98          3HE       MET  98   9.367  -3.649 -13.018
  818   3HE   MET  98          2HE       MET  98   9.517  -4.004 -14.737
  819    H    VAL  99           H        VAL  99   3.183  -7.121 -11.263
  820    HA   VAL  99           HA       VAL  99   0.936  -7.234 -10.916
  821    HB   VAL  99           HB       VAL  99   1.703  -4.576 -11.102
  822   1HG1  VAL  99          2HG1      VAL  99   0.521  -4.704 -13.433
  823   2HG1  VAL  99          1HG1      VAL  99  -0.972  -4.771 -12.497
  824   3HG1  VAL  99          3HG1      VAL  99   0.098  -3.377 -12.352
  825   1HG2  VAL  99          2HG2      VAL  99   0.243  -6.017  -9.492
  826   2HG2  VAL  99          1HG2      VAL  99  -0.008  -4.273  -9.578
  827   3HG2  VAL  99          3HG2      VAL  99  -1.103  -5.364 -10.425
  828    H    ASN 100           H        ASN 100   2.299  -8.077 -13.473
  829    HA   ASN 100           HA       ASN 100   0.274  -7.691 -15.576
  830   1HB   ASN 100          2HB       ASN 100   1.713  -9.180 -16.912
  831   2HB   ASN 100          1HB       ASN 100   2.657  -7.899 -16.156
  832   1HD2  ASN 100          2HD2      ASN 100   4.692 -10.154 -14.374
  833   2HD2  ASN 100          1HD2      ASN 100   4.424  -8.562 -14.894
  834    H    GLU 101           H        GLU 101   0.025  -9.475 -12.855
  835    HA   GLU 101           HA       GLU 101  -0.578 -12.119 -13.640
  836   1HB   GLU 101          2HB       GLU 101  -0.760 -10.660 -11.284
  837   2HB   GLU 101          1HB       GLU 101  -2.439 -11.073 -11.632
  838   1HG   GLU 101          2HG       GLU 101  -0.109 -13.009 -11.438
  839   2HG   GLU 101          1HG       GLU 101  -1.440 -12.854 -10.293
  840    H    ALA 102           H        ALA 102  -2.716  -9.250 -13.585
  841    HA   ALA 102           HA       ALA 102  -5.017 -10.707 -14.600
  842   1HB   ALA 102          2HB       ALA 102  -4.437  -7.727 -14.532
  843   2HB   ALA 102          1HB       ALA 102  -6.002  -8.449 -14.906
  844   3HB   ALA 102          3HB       ALA 102  -5.304  -8.641 -13.297
  845    H    LEU 103           HN       LEU 103  -5.262 -11.373 -16.669
  846    HA   LEU 103           HA       LEU 103  -3.928  -9.806 -18.841
  847   1HB   LEU 103          2HB       LEU 103  -2.834 -12.055 -18.267
  848   2HB   LEU 103          1HB       LEU 103  -4.293 -12.809 -18.909
  849    HG   LEU 103           HG       LEU 103  -3.209 -10.731 -20.675
  850   1HD1  LEU 103          3HD1      LEU 103  -1.552 -13.188 -20.031
  851   2HD1  LEU 103          2HD1      LEU 103  -1.304 -12.167 -21.447
  852   3HD1  LEU 103          1HD1      LEU 103  -1.064 -11.506 -19.830
  853   1HD2  LEU 103          3HD2      LEU 103  -3.886 -13.672 -21.015
  854   2HD2  LEU 103          2HD2      LEU 103  -4.963 -12.315 -21.342
  855   3HD2  LEU 103          1HD2      LEU 103  -3.526 -12.559 -22.335
   
  No H/Q in entry =         855
  Start of MODEL           8
 Raw file had  866 H/Q atoms
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1   7.141  13.434 -24.323
    2   2H    ALA   1          3H        ALA   1   5.603  13.941 -23.814
    3   3H    ALA   1          2H        ALA   1   6.968  14.887 -23.457
    4    HA   ALA   1           HA       ALA   1   6.253  13.684 -21.495
    5   1HB   ALA   1          3HB       ALA   1   6.729  11.265 -23.268
    6   2HB   ALA   1          2HB       ALA   1   6.454  11.190 -21.527
    7   3HB   ALA   1          1HB       ALA   1   5.183  11.785 -22.596
    8    H    THR   2           H        THR   2   7.921  13.591 -20.019
    9    HA   THR   2           HA       THR   2  10.630  12.800 -20.984
   10    HB   THR   2           HB       THR   2  11.511  14.761 -19.548
   11    HG1  THR   2           HG1      THR   2  10.065  16.020 -18.730
   12   1HG2  THR   2          1HG2      THR   2  11.615  14.679 -22.019
   13   2HG2  THR   2          3HG2      THR   2   9.992  15.363 -22.101
   14   3HG2  THR   2          2HG2      THR   2  11.317  16.318 -21.437
   15    H    SER   3           H        SER   3   9.049  13.985 -17.977
   16    HA   SER   3           HA       SER   3   9.793  11.459 -16.643
   17   1HB   SER   3          2HB       SER   3  10.792  12.763 -14.717
   18   2HB   SER   3          1HB       SER   3  11.750  12.790 -16.193
   19    HG   SER   3           HG       SER   3  11.251  14.854 -16.493
   20    H    THR   4           H        THR   4   7.277  11.787 -17.146
   21    HA   THR   4           HA       THR   4   6.070  12.764 -14.596
   22    HB   THR   4           HB       THR   4   4.052  13.458 -16.020
   23    HG1  THR   4           HG1      THR   4   4.322  12.821 -18.013
   24   1HG2  THR   4          1HG2      THR   4   5.715  15.030 -14.980
   25   2HG2  THR   4          3HG2      THR   4   6.616  15.000 -16.496
   26   3HG2  THR   4          2HG2      THR   4   4.977  15.651 -16.457
   27    H    LYS   5           H        LYS   5   5.524  10.841 -13.671
   28    HA   LYS   5           HA       LYS   5   4.514   8.757 -13.355
   29   1HB   LYS   5          2HB       LYS   5   2.664  10.385 -14.647
   30   2HB   LYS   5          1HB       LYS   5   2.661   8.914 -15.619
   31   1HG   LYS   5          2HG       LYS   5   1.051   8.510 -13.924
   32   2HG   LYS   5          1HG       LYS   5   2.490   7.645 -13.384
   33   1HD   LYS   5          2HD       LYS   5   1.952   8.785 -11.438
   34   2HD   LYS   5          1HD       LYS   5   3.026   9.960 -12.196
   35   1HE   LYS   5          2HE       LYS   5   1.236  11.346 -11.755
   36   2HE   LYS   5          1HE       LYS   5   0.738  10.749 -13.337
   37   1HZ   LYS   5          1HZ       LYS   5  -0.528   8.996 -12.201
   38   2HZ   LYS   5          3HZ       LYS   5  -0.107   9.670 -10.701
   39   3HZ   LYS   5          2HZ       LYS   5  -1.069  10.553 -11.787
   40    H    LYS   6           H        LYS   6   6.860   8.745 -14.933
   41    HA   LYS   6           HA       LYS   6   6.402   7.085 -17.306
   42   1HB   LYS   6          2HB       LYS   6   8.813   7.113 -17.555
   43   2HB   LYS   6          1HB       LYS   6   8.276   8.741 -17.144
   44   1HG   LYS   6          2HG       LYS   6   8.735   8.029 -14.687
   45   2HG   LYS   6          1HG       LYS   6   9.684   6.727 -15.399
   46   1HD   LYS   6          2HD       LYS   6  10.109   9.564 -16.308
   47   2HD   LYS   6          1HD       LYS   6  10.865   8.994 -14.820
   48   1HE   LYS   6          2HE       LYS   6  11.146   7.646 -17.523
   49   2HE   LYS   6          1HE       LYS   6  12.348   8.714 -16.803
   50   1HZ   LYS   6          1HZ       LYS   6  11.943   6.992 -14.810
   51   2HZ   LYS   6          3HZ       LYS   6  11.667   5.974 -16.137
   52   3HZ   LYS   6          2HZ       LYS   6  13.147   6.795 -15.992
   53    H    LEU   7           H        LEU   7   6.967   6.567 -13.933
   54    HA   LEU   7           HA       LEU   7   7.041   4.613 -12.660
   55   1HB   LEU   7          2HB       LEU   7   5.957   3.672 -15.252
   56   2HB   LEU   7          1HB       LEU   7   6.722   2.429 -14.265
   57    HG   LEU   7           HG       LEU   7   5.237   3.846 -12.407
   58   1HD1  LEU   7          1HD1      LEU   7   3.641   3.607 -14.977
   59   2HD1  LEU   7          3HD1      LEU   7   2.969   4.008 -13.396
   60   3HD1  LEU   7          2HD1      LEU   7   4.100   5.111 -14.179
   61   1HD2  LEU   7          1HD2      LEU   7   5.439   1.247 -13.346
   62   2HD2  LEU   7          3HD2      LEU   7   4.395   1.774 -12.026
   63   3HD2  LEU   7          2HD2      LEU   7   3.750   1.645 -13.662
   64    H    HIS   8           H        HIS   8   9.295   5.066 -12.314
   65    HA   HIS   8           HA       HIS   8  11.324   3.908 -14.071
   66   1HB   HIS   8          2HB       HIS   8  11.367   6.010 -12.370
   67   2HB   HIS   8          1HB       HIS   8  12.025   4.771 -11.303
   68    HD1  HIS   8           HD1      HIS   8  13.480   7.272 -12.974
   69    HD2  HIS   8           HD2      HIS   8  13.873   3.167 -13.566
   70    HE1  HIS   8           HE1      HIS   8  15.689   6.929 -14.160
   71    H    LYS   9           H        LYS   9  12.864   3.091 -11.454
   72    HA   LYS   9           HA       LYS   9  11.403   0.760 -10.497
   73   1HB   LYS   9          2HB       LYS   9  13.344  -0.776 -11.381
   74   2HB   LYS   9          1HB       LYS   9  12.004  -0.371 -12.452
   75   1HG   LYS   9          2HG       LYS   9  13.301   1.385 -13.509
   76   2HG   LYS   9          1HG       LYS   9  14.611   1.174 -12.347
   77   1HD   LYS   9          2HD       LYS   9  15.468  -0.138 -14.024
   78   2HD   LYS   9          1HD       LYS   9  14.443  -1.356 -13.265
   79   1HE   LYS   9          2HE       LYS   9  13.806  -1.510 -15.515
   80   2HE   LYS   9          1HE       LYS   9  12.588  -0.420 -14.856
   81   1HZ   LYS   9          3HZ       LYS   9  13.926   1.457 -15.615
   82   2HZ   LYS   9          2HZ       LYS   9  15.067   0.388 -16.280
   83   3HZ   LYS   9          1HZ       LYS   9  13.490   0.449 -16.907
   84    H    GLU  10           H        GLU  10  12.199   0.157  -8.510
   85    HA   GLU  10           HA       GLU  10  14.980   0.546  -7.737
   86   1HB   GLU  10          2HB       GLU  10  13.695   2.851  -7.543
   87   2HB   GLU  10          1HB       GLU  10  13.009   2.118  -6.093
   88   1HG   GLU  10          2HG       GLU  10  15.974   1.966  -6.493
   89   2HG   GLU  10          1HG       GLU  10  15.278   3.502  -5.981
   90    HA   PRO  11           HA       PRO  11  13.505  -2.984  -5.516
   91   1HB   PRO  11          2HB       PRO  11  15.763  -2.699  -3.699
   92   2HB   PRO  11          1HB       PRO  11  15.448  -3.965  -4.894
   93   1HG   PRO  11          2HG       PRO  11  17.374  -1.887  -5.107
   94   2HG   PRO  11          1HG       PRO  11  16.897  -3.024  -6.375
   95   1HD   PRO  11          2HD       PRO  11  16.308  -0.187  -6.198
   96   2HD   PRO  11          1HD       PRO  11  15.919  -1.312  -7.516
   97    H    ALA  12           H        ALA  12  12.474  -3.391  -3.535
   98    HA   ALA  12           HA       ALA  12  12.382  -1.168  -1.548
   99   1HB   ALA  12          1HB       ALA  12  10.377  -1.713  -3.424
  100   2HB   ALA  12          3HB       ALA  12   9.793  -2.424  -1.919
  101   3HB   ALA  12          2HB       ALA  12  10.226  -0.717  -1.978
  102    H    THR  13           H        THR  13  10.276  -2.463   0.003
  103    HA   THR  13           HA       THR  13  11.311  -5.154   0.634
  104    HB   THR  13           HB       THR  13  12.734  -3.622   1.977
  105    HG1  THR  13           HG1      THR  13  12.425  -5.463   3.038
  106   1HG2  THR  13          3HG2      THR  13  10.603  -1.988   2.125
  107   2HG2  THR  13          2HG2      THR  13  10.423  -2.818   3.669
  108   3HG2  THR  13          1HG2      THR  13  11.912  -1.945   3.306
  109    H    LEU  14           H        LEU  14   9.585  -6.433   1.107
  110    HA   LEU  14           HA       LEU  14   6.926  -5.358   1.129
  111   1HB   LEU  14          2HB       LEU  14   6.171  -7.613   1.516
  112   2HB   LEU  14          1HB       LEU  14   7.535  -7.690   0.406
  113    HG   LEU  14           HG       LEU  14   8.781  -7.866   2.856
  114   1HD1  LEU  14          3HD1      LEU  14   6.179  -8.194   3.559
  115   2HD1  LEU  14          2HD1      LEU  14   6.598  -9.861   3.168
  116   3HD1  LEU  14          1HD1      LEU  14   7.509  -8.989   4.399
  117   1HD2  LEU  14          3HD2      LEU  14   7.967  -9.723   0.694
  118   2HD2  LEU  14          2HD2      LEU  14   9.566  -9.411   1.369
  119   3HD2  LEU  14          1HD2      LEU  14   8.447 -10.485   2.211
  120    H    ILE  15           H        ILE  15   6.052  -4.231   2.765
  121    HA   ILE  15           HA       ILE  15   6.774  -5.074   5.539
  122    HB   ILE  15           HB       ILE  15   5.916  -2.555   5.989
  123   1HG1  ILE  15          2HG1      ILE  15   7.272  -2.399   3.279
  124   2HG1  ILE  15          1HG1      ILE  15   5.539  -2.218   3.521
  125   1HG2  ILE  15          1HG2      ILE  15   8.691  -3.325   5.032
  126   2HG2  ILE  15          3HG2      ILE  15   8.300  -1.904   6.000
  127   3HG2  ILE  15          2HG2      ILE  15   8.078  -3.518   6.674
  128   1HD1  ILE  15          3HD1      ILE  15   6.300  -0.416   5.308
  129   2HD1  ILE  15          2HD1      ILE  15   7.761  -0.382   4.322
  130   3HD1  ILE  15          1HD1      ILE  15   6.201   0.004   3.598
  131    H    LYS  16           H        LYS  16   4.735  -6.359   4.175
  132    HA   LYS  16           HA       LYS  16   2.625  -7.202   4.745
  133   1HB   LYS  16          2HB       LYS  16   3.227  -5.937   7.023
  134   2HB   LYS  16          1HB       LYS  16   1.919  -4.885   6.481
  135   1HG   LYS  16          2HG       LYS  16   0.481  -6.404   7.326
  136   2HG   LYS  16          1HG       LYS  16   0.968  -7.477   6.013
  137   1HD   LYS  16          2HD       LYS  16   1.368  -8.761   7.952
  138   2HD   LYS  16          1HD       LYS  16   2.958  -8.115   7.547
  139   1HE   LYS  16          2HE       LYS  16   2.490  -6.208   9.141
  140   2HE   LYS  16          1HE       LYS  16   1.039  -7.072   9.649
  141   1HZ   LYS  16          3HZ       LYS  16   3.810  -8.139   9.777
  142   2HZ   LYS  16          2HZ       LYS  16   2.924  -7.538  11.097
  143   3HZ   LYS  16          1HZ       LYS  16   2.409  -8.944  10.294
  144    H    ALA  17           H        ALA  17   0.742  -7.032   3.641
  145    HA   ALA  17           HA       ALA  17   0.270  -4.576   2.046
  146   1HB   ALA  17          1HB       ALA  17  -0.286  -7.415   1.748
  147   2HB   ALA  17          3HB       ALA  17  -1.740  -6.456   1.477
  148   3HB   ALA  17          2HB       ALA  17  -0.291  -6.148   0.523
  149    H    ILE  18           H        ILE  18  -2.425  -4.466   1.731
  150    HA   ILE  18           HA       ILE  18  -3.647  -4.403   4.442
  151    HB   ILE  18           HB       ILE  18  -3.139  -2.047   2.636
  152   1HG1  ILE  18          2HG1      ILE  18  -3.090  -1.491   5.444
  153   2HG1  ILE  18          1HG1      ILE  18  -2.187  -2.978   5.164
  154   1HG2  ILE  18          2HG2      ILE  18  -5.404  -2.418   4.607
  155   2HG2  ILE  18          1HG2      ILE  18  -4.778  -0.819   4.207
  156   3HG2  ILE  18          3HG2      ILE  18  -5.488  -1.828   2.946
  157   1HD1  ILE  18          3HD1      ILE  18  -1.411  -1.286   3.071
  158   2HD1  ILE  18          2HD1      ILE  18  -1.469  -0.241   4.490
  159   3HD1  ILE  18          1HD1      ILE  18  -0.459  -1.687   4.502
  160    H    ASP  19           H        ASP  19  -4.361  -3.408   1.051
  161    HA   ASP  19           HA       ASP  19  -6.776  -5.145   1.105
  162   1HB   ASP  19          2HB       ASP  19  -7.013  -2.473   1.648
  163   2HB   ASP  19          1HB       ASP  19  -7.207  -2.476  -0.104
  164    H    GLY  20           H        GLY  20  -7.713  -3.866  -1.442
  165   1HA   GLY  20          2HA       GLY  20  -6.516  -5.528  -3.358
  166   2HA   GLY  20          1HA       GLY  20  -7.356  -4.032  -3.760
  167    H    ASP  21           H        ASP  21  -6.081  -2.039  -3.852
  168    HA   ASP  21           HA       ASP  21  -3.272  -2.568  -4.630
  169   1HB   ASP  21          2HB       ASP  21  -5.137  -0.233  -5.005
  170   2HB   ASP  21          1HB       ASP  21  -3.397  -0.002  -5.152
  171    H    THR  22           H        THR  22  -4.909  -1.805  -1.818
  172    HA   THR  22           HA       THR  22  -3.059   0.165  -0.745
  173    HB   THR  22           HB       THR  22  -4.800  -1.587   0.958
  174    HG1  THR  22           HG1      THR  22  -5.631   0.529  -0.726
  175   1HG2  THR  22          1HG2      THR  22  -3.909   1.295   1.039
  176   2HG2  THR  22          3HG2      THR  22  -5.078   0.602   2.164
  177   3HG2  THR  22          2HG2      THR  22  -3.423  -0.005   2.126
  178    H    VAL  23           H        VAL  23  -0.954  -0.520  -0.458
  179    HA   VAL  23           HA       VAL  23  -0.498  -2.915   1.231
  180    HB   VAL  23           HB       VAL  23   1.276  -3.745  -0.311
  181   1HG1  VAL  23          2HG1      VAL  23  -1.236  -4.449  -0.343
  182   2HG1  VAL  23          1HG1      VAL  23  -1.290  -3.574  -1.874
  183   3HG1  VAL  23          3HG1      VAL  23  -0.199  -4.945  -1.680
  184   1HG2  VAL  23          1HG2      VAL  23   0.159  -1.547  -2.077
  185   2HG2  VAL  23          3HG2      VAL  23   1.828  -1.755  -1.543
  186   3HG2  VAL  23          2HG2      VAL  23   1.126  -2.883  -2.702
  187    H    LYS  24           H        LYS  24   1.575  -2.897   2.287
  188    HA   LYS  24           HA       LYS  24   2.748  -0.172   2.424
  189   1HB   LYS  24          2HB       LYS  24   2.015  -1.872   4.425
  190   2HB   LYS  24          1HB       LYS  24   3.724  -2.275   4.264
  191   1HG   LYS  24          2HG       LYS  24   4.198   0.225   4.356
  192   2HG   LYS  24          1HG       LYS  24   2.511   0.438   4.830
  193   1HD   LYS  24          2HD       LYS  24   2.876  -1.097   6.748
  194   2HD   LYS  24          1HD       LYS  24   4.575  -1.234   6.294
  195   1HE   LYS  24          2HE       LYS  24   4.565   1.376   6.415
  196   2HE   LYS  24          1HE       LYS  24   3.100   1.158   7.372
  197   1HZ   LYS  24          1HZ       LYS  24   4.362  -0.336   8.834
  198   2HZ   LYS  24          3HZ       LYS  24   5.769  -0.016   7.943
  199   3HZ   LYS  24          2HZ       LYS  24   5.009   1.234   8.807
  200    H    LEU  25           H        LEU  25   4.901   0.220   1.900
  201    HA   LEU  25           HA       LEU  25   6.753  -1.988   1.405
  202   1HB   LEU  25          2HB       LEU  25   5.551  -2.023  -0.706
  203   2HB   LEU  25          1HB       LEU  25   5.741  -0.283  -0.884
  204    HG   LEU  25           HG       LEU  25   8.256  -1.791  -0.482
  205   1HD1  LEU  25          3HD1      LEU  25   6.339  -2.448  -2.627
  206   2HD1  LEU  25          2HD1      LEU  25   7.963  -2.062  -3.195
  207   3HD1  LEU  25          1HD1      LEU  25   7.721  -3.366  -2.033
  208   1HD2  LEU  25          2HD2      LEU  25   7.266   0.671  -1.708
  209   2HD2  LEU  25          1HD2      LEU  25   8.886   0.280  -1.138
  210   3HD2  LEU  25          3HD2      LEU  25   8.386  -0.189  -2.762
  211    H    MET  26           H        MET  26   8.670  -1.271   2.164
  212    HA   MET  26           HA       MET  26   9.146   1.657   2.328
  213   1HB   MET  26          2HB       MET  26   9.653  -0.475   4.085
  214   2HB   MET  26          1HB       MET  26  11.240  -0.003   3.477
  215   1HG   MET  26          2HG       MET  26  11.021   2.207   4.267
  216   2HG   MET  26          1HG       MET  26   9.270   2.072   4.422
  217   1HE   MET  26          2HE       MET  26  12.532   0.782   5.192
  218   2HE   MET  26          1HE       MET  26  12.700   1.352   6.850
  219   3HE   MET  26          3HE       MET  26  12.343  -0.351   6.528
  220    H    TYR  27           H        TYR  27   9.880   2.279   0.308
  221    HA   TYR  27           HA       TYR  27  12.128   0.746  -0.906
  222   1HB   TYR  27          2HB       TYR  27  11.571   1.724  -2.974
  223   2HB   TYR  27          1HB       TYR  27  10.001   1.470  -2.218
  224    HD1  TYR  27           HD2      TYR  27   8.878   3.399  -1.028
  225    HD2  TYR  27           HD1      TYR  27  12.345   3.913  -3.503
  226    HE1  TYR  27           HE2      TYR  27   8.423   5.829  -1.159
  227    HE2  TYR  27           HE1      TYR  27  11.893   6.343  -3.634
  228    HH   TYR  27           HH       TYR  27  10.563   8.059  -2.006
  229    H    LYS  28           H        LYS  28  11.291   3.923   0.424
  230    HA   LYS  28           HA       LYS  28  14.150   4.712   0.123
  231   1HB   LYS  28          2HB       LYS  28  11.888   6.078  -0.759
  232   2HB   LYS  28          1HB       LYS  28  12.325   6.904   0.734
  233   1HG   LYS  28          2HG       LYS  28  13.554   7.996  -1.006
  234   2HG   LYS  28          1HG       LYS  28  14.714   6.979  -0.152
  235   1HD   LYS  28          2HD       LYS  28  13.641   5.295  -2.106
  236   2HD   LYS  28          1HD       LYS  28  13.837   6.842  -2.929
  237   1HE   LYS  28          2HE       LYS  28  16.150   6.888  -2.573
  238   2HE   LYS  28          1HE       LYS  28  16.062   5.769  -1.212
  239   1HZ   LYS  28          1HZ       LYS  28  15.227   4.109  -2.951
  240   2HZ   LYS  28          3HZ       LYS  28  15.862   5.184  -4.100
  241   3HZ   LYS  28          2HZ       LYS  28  16.885   4.483  -2.938
  242    H    GLY  29           H        GLY  29  12.967   3.097   2.263
  243   1HA   GLY  29          2HA       GLY  29  13.349   2.929   4.567
  244   2HA   GLY  29          1HA       GLY  29  14.098   4.521   4.515
  245    H    GLN  30           H        GLN  30  11.039   4.704   3.092
  246    HA   GLN  30           HA       GLN  30   9.880   5.667   5.664
  247   1HB   GLN  30          2HB       GLN  30   8.561   7.261   4.356
  248   2HB   GLN  30          1HB       GLN  30  10.271   7.452   3.980
  249   1HG   GLN  30          2HG       GLN  30   9.573   5.603   2.109
  250   2HG   GLN  30          1HG       GLN  30   8.054   6.482   2.265
  251   1HE2  GLN  30          2HE2      GLN  30   9.484   8.664  -0.168
  252   2HE2  GLN  30          1HE2      GLN  30   8.360   7.415   0.079
  253    HA   PRO  31           HA       PRO  31   6.926   2.395   5.121
  254   1HB   PRO  31          2HB       PRO  31   5.230   3.447   7.144
  255   2HB   PRO  31          1HB       PRO  31   6.476   2.209   7.348
  256   1HG   PRO  31          2HG       PRO  31   6.516   4.960   8.278
  257   2HG   PRO  31          1HG       PRO  31   7.700   3.683   8.583
  258   1HD   PRO  31          2HD       PRO  31   7.955   5.945   6.808
  259   2HD   PRO  31          1HD       PRO  31   9.147   4.668   7.128
  260    H    MET  32           H        MET  32   5.555   2.563   3.343
  261    HA   MET  32           HA       MET  32   3.612   4.854   3.319
  262   1HB   MET  32          2HB       MET  32   3.760   4.848   0.865
  263   2HB   MET  32          1HB       MET  32   5.334   5.153   1.596
  264   1HG   MET  32          2HG       MET  32   5.514   2.499   1.446
  265   2HG   MET  32          1HG       MET  32   4.349   2.733   0.147
  266   1HE   MET  32          3HE       MET  32   6.990   4.535   1.810
  267   2HE   MET  32          2HE       MET  32   8.442   4.094   0.919
  268   3HE   MET  32          1HE       MET  32   7.615   5.604   0.549
  269    H    THR  33           H        THR  33   1.702   4.400   1.849
  270    HA   THR  33           HA       THR  33   0.861   1.540   1.961
  271    HB   THR  33           HB       THR  33  -0.934   3.926   2.444
  272    HG1  THR  33           HG1      THR  33   0.074   3.849   4.305
  273   1HG2  THR  33          1HG2      THR  33  -1.327   0.935   2.628
  274   2HG2  THR  33          3HG2      THR  33  -2.463   2.103   3.302
  275   3HG2  THR  33          2HG2      THR  33  -2.168   2.064   1.565
  276    H    PHE  34           H        PHE  34   1.770   1.676  -0.238
  277    HA   PHE  34           HA       PHE  34   1.248   3.261  -2.371
  278   1HB   PHE  34          2HB       PHE  34   1.358   0.282  -2.136
  279   2HB   PHE  34          1HB       PHE  34   1.019   1.019  -3.703
  280    HD1  PHE  34           HD1      PHE  34   3.431   1.017  -0.863
  281    HD2  PHE  34           HD2      PHE  34   2.732   2.011  -4.978
  282    HE1  PHE  34           HE1      PHE  34   5.831   1.541  -1.146
  283    HE2  PHE  34           HE2      PHE  34   5.136   2.531  -5.263
  284    HZ   PHE  34           HZ       PHE  34   6.685   2.301  -3.338
  285    H    ARG  35           H        ARG  35  -0.465   3.990  -3.536
  286    HA   ARG  35           HA       ARG  35  -2.936   2.387  -3.631
  287   1HB   ARG  35          2HB       ARG  35  -2.665   4.542  -1.907
  288   2HB   ARG  35          1HB       ARG  35  -3.525   5.210  -3.291
  289   1HG   ARG  35          2HG       ARG  35  -5.366   4.339  -2.273
  290   2HG   ARG  35          1HG       ARG  35  -4.812   2.820  -2.971
  291   1HD   ARG  35          2HD       ARG  35  -4.593   1.987  -0.897
  292   2HD   ARG  35          1HD       ARG  35  -3.337   3.183  -0.578
  293    HE   ARG  35           HE       ARG  35  -5.639   4.614  -0.150
  294   1HH1  ARG  35          2HH1      ARG  35  -7.223   2.335   0.601
  295   2HH1  ARG  35          1HH1      ARG  35  -6.820   2.053   2.262
  296   1HH2  ARG  35          1HH2      ARG  35  -3.902   3.942   2.146
  297   2HH2  ARG  35          2HH2      ARG  35  -4.932   2.968   3.139
  298    H    LEU  36           H        LEU  36  -0.644   3.571  -5.490
  299    HA   LEU  36           HA       LEU  36  -0.528   4.805  -7.549
  300   1HB   LEU  36          2HB       LEU  36  -2.155   3.591  -9.210
  301   2HB   LEU  36          1HB       LEU  36  -0.862   2.672  -8.460
  302    HG   LEU  36           HG       LEU  36  -3.338   2.738  -6.875
  303   1HD1  LEU  36          2HD1      LEU  36  -3.332   1.858  -9.715
  304   2HD1  LEU  36          1HD1      LEU  36  -4.136   0.810  -8.549
  305   3HD1  LEU  36          3HD1      LEU  36  -4.655   2.483  -8.732
  306   1HD2  LEU  36          2HD2      LEU  36  -1.039   1.055  -7.391
  307   2HD2  LEU  36          1HD2      LEU  36  -2.166   1.007  -6.037
  308   3HD2  LEU  36          3HD2      LEU  36  -2.528   0.122  -7.517
  309    H    LEU  37           H        LEU  37  -3.837   4.243  -8.405
  310    HA   LEU  37           HA       LEU  37  -4.403   7.120  -8.422
  311   1HB   LEU  37          2HB       LEU  37  -5.269   5.437 -10.162
  312   2HB   LEU  37          1HB       LEU  37  -6.326   4.809  -8.899
  313    HG   LEU  37           HG       LEU  37  -6.926   7.413  -8.654
  314   1HD1  LEU  37          1HD1      LEU  37  -6.183   7.058 -11.576
  315   2HD1  LEU  37          3HD1      LEU  37  -7.015   8.454 -10.892
  316   3HD1  LEU  37          2HD1      LEU  37  -5.351   8.105 -10.426
  317   1HD2  LEU  37          2HD2      LEU  37  -8.009   5.454 -10.699
  318   2HD2  LEU  37          1HD2      LEU  37  -8.589   5.703  -9.052
  319   3HD2  LEU  37          3HD2      LEU  37  -8.822   6.959 -10.268
  320    H    LEU  38           H        LEU  38  -5.728   4.173  -6.941
  321    HA   LEU  38           HA       LEU  38  -5.622   4.227  -4.416
  322   1HB   LEU  38          2HB       LEU  38  -6.978   5.786  -3.213
  323   2HB   LEU  38          1HB       LEU  38  -5.844   6.650  -4.222
  324    HG   LEU  38           HG       LEU  38  -7.643   7.895  -4.841
  325   1HD1  LEU  38          3HD1      LEU  38  -7.941   5.421  -6.466
  326   2HD1  LEU  38          2HD1      LEU  38  -9.300   6.536  -6.465
  327   3HD1  LEU  38          1HD1      LEU  38  -7.708   7.089  -6.976
  328   1HD2  LEU  38          1HD2      LEU  38  -9.154   5.687  -3.533
  329   2HD2  LEU  38          3HD2      LEU  38  -9.173   7.417  -3.202
  330   3HD2  LEU  38          2HD2      LEU  38 -10.046   6.775  -4.593
  331    H    VAL  39           H        VAL  39  -6.335   2.184  -5.092
  332    HA   VAL  39           HA       VAL  39  -8.726   1.318  -6.112
  333    HB   VAL  39           HB       VAL  39  -6.728   0.206  -4.293
  334   1HG1  VAL  39          3HG1      VAL  39  -9.613  -0.618  -3.949
  335   2HG1  VAL  39          2HG1      VAL  39  -8.298  -1.764  -3.696
  336   3HG1  VAL  39          1HG1      VAL  39  -8.399  -0.308  -2.710
  337   1HG2  VAL  39          3HG2      VAL  39  -7.269  -0.213  -6.800
  338   2HG2  VAL  39          2HG2      VAL  39  -6.849  -1.604  -5.800
  339   3HG2  VAL  39          1HG2      VAL  39  -8.536  -1.281  -6.198
  340    H    ASP  40           H        ASP  40  -8.359   2.070  -2.579
  341    HA   ASP  40           HA       ASP  40 -11.140   2.979  -2.524
  342   1HB   ASP  40          2HB       ASP  40 -11.710   1.346  -0.611
  343   2HB   ASP  40          1HB       ASP  40 -11.737   0.714  -2.251
  344    H    THR  41           H        THR  41  -9.451   4.754  -1.976
  345    HA   THR  41           HA       THR  41  -8.449   4.729   0.782
  346    HB   THR  41           HB       THR  41  -8.410   6.819  -1.418
  347    HG1  THR  41           HG1      THR  41  -7.104   4.882  -1.615
  348   1HG2  THR  41          3HG2      THR  41  -7.072   6.819   1.294
  349   2HG2  THR  41          2HG2      THR  41  -6.797   8.004   0.016
  350   3HG2  THR  41          1HG2      THR  41  -8.380   7.886   0.783
  351    HA   PRO  42           HA       PRO  42 -12.426   6.428   2.086
  352   1HB   PRO  42          2HB       PRO  42 -11.565   6.367   4.795
  353   2HB   PRO  42          1HB       PRO  42 -12.576   5.169   3.977
  354   1HG   PRO  42          2HG       PRO  42  -9.817   4.893   4.834
  355   2HG   PRO  42          1HG       PRO  42 -10.868   3.667   4.112
  356   1HD   PRO  42          2HD       PRO  42  -8.676   5.076   2.869
  357   2HD   PRO  42          1HD       PRO  42  -9.718   3.830   2.158
  358    H    GLU  43           H        GLU  43 -12.800   8.641   2.131
  359    HA   GLU  43           HA       GLU  43 -10.592  10.402   3.084
  360   1HB   GLU  43          2HB       GLU  43 -11.479  12.116   1.651
  361   2HB   GLU  43          1HB       GLU  43 -11.426  10.634   0.701
  362   1HG   GLU  43          2HG       GLU  43 -13.698  10.507   0.535
  363   2HG   GLU  43          1HG       GLU  43 -13.950  11.067   2.187
  364    H    THR  44           H        THR  44 -12.276  12.724   3.392
  365    HA   THR  44           HA       THR  44 -13.838  11.931   5.817
  366    HB   THR  44           HB       THR  44 -13.268  14.287   6.636
  367    HG1  THR  44           HG1      THR  44 -12.385  15.421   5.100
  368   1HG2  THR  44          3HG2      THR  44 -12.164  12.265   7.509
  369   2HG2  THR  44          2HG2      THR  44 -10.989  12.337   6.195
  370   3HG2  THR  44          1HG2      THR  44 -11.029  13.612   7.414
  371    H    LYS  45           H        LYS  45 -15.684  11.744   4.297
  372    HA   LYS  45           HA       LYS  45 -17.115  14.314   4.090
  373   1HB   LYS  45          2HB       LYS  45 -15.987  12.903   1.759
  374   2HB   LYS  45          1HB       LYS  45 -17.705  13.265   1.611
  375   1HG   LYS  45          2HG       LYS  45 -15.768  15.377   2.545
  376   2HG   LYS  45          1HG       LYS  45 -16.004  15.067   0.825
  377   1HD   LYS  45          2HD       LYS  45 -18.322  15.623   0.941
  378   2HD   LYS  45          1HD       LYS  45 -18.316  15.587   2.704
  379   1HE   LYS  45          2HE       LYS  45 -16.464  17.485   1.312
  380   2HE   LYS  45          1HE       LYS  45 -18.177  17.894   1.398
  381   1HZ   LYS  45          1HZ       LYS  45 -16.445  17.216   3.715
  382   2HZ   LYS  45          3HZ       LYS  45 -16.954  18.777   3.287
  383   3HZ   LYS  45          2HZ       LYS  45 -18.093  17.622   3.793
  384    H    HIS  46           H        HIS  46 -17.571  11.104   2.560
  385    HA   HIS  46           HA       HIS  46 -19.822  10.556   4.417
  386   1HB   HIS  46          2HB       HIS  46 -20.040  10.865   1.421
  387   2HB   HIS  46          1HB       HIS  46 -21.172   9.849   2.314
  388    HD1  HIS  46           HD1      HIS  46 -20.173  13.421   1.788
  389    HD2  HIS  46           HD2      HIS  46 -22.927  11.276   4.069
  390    HE1  HIS  46           HE1      HIS  46 -21.787  15.120   2.746
  391    HA   PRO  47           HA       PRO  47 -17.092   6.909   3.674
  392   1HB   PRO  47          2HB       PRO  47 -17.770   6.070   6.334
  393   2HB   PRO  47          1HB       PRO  47 -16.218   6.691   5.757
  394   1HG   PRO  47          2HG       PRO  47 -18.132   8.029   7.454
  395   2HG   PRO  47          1HG       PRO  47 -16.571   8.635   6.890
  396   1HD   PRO  47          2HD       PRO  47 -19.199   9.453   6.030
  397   2HD   PRO  47          1HD       PRO  47 -17.629  10.062   5.469
  398    H    LYS  48           H        LYS  48 -17.906   4.969   2.916
  399    HA   LYS  48           HA       LYS  48 -20.784   4.527   2.936
  400   1HB   LYS  48          2HB       LYS  48 -18.923   3.867   1.148
  401   2HB   LYS  48          1HB       LYS  48 -18.881   2.377   2.091
  402   1HG   LYS  48          2HG       LYS  48 -21.263   2.039   1.768
  403   2HG   LYS  48          1HG       LYS  48 -21.416   3.605   0.971
  404   1HD   LYS  48          2HD       LYS  48 -19.623   2.670  -0.680
  405   2HD   LYS  48          1HD       LYS  48 -20.103   1.095  -0.046
  406   1HE   LYS  48          2HE       LYS  48 -22.174   3.065  -1.004
  407   2HE   LYS  48          1HE       LYS  48 -21.349   1.998  -2.141
  408   1HZ   LYS  48          1HZ       LYS  48 -22.067   0.101  -0.819
  409   2HZ   LYS  48          3HZ       LYS  48 -22.875   1.132   0.259
  410   3HZ   LYS  48          2HZ       LYS  48 -23.400   1.010  -1.352
  411    H    LYS  49           H        LYS  49 -21.916   3.395   4.428
  412    HA   LYS  49           HA       LYS  49 -20.395   1.675   6.350
  413   1HB   LYS  49          2HB       LYS  49 -22.930   3.297   6.650
  414   2HB   LYS  49          1HB       LYS  49 -22.470   2.053   7.813
  415   1HG   LYS  49          2HG       LYS  49 -20.322   3.965   7.099
  416   2HG   LYS  49          1HG       LYS  49 -21.677   4.655   7.993
  417   1HD   LYS  49          2HD       LYS  49 -20.652   2.052   8.993
  418   2HD   LYS  49          1HD       LYS  49 -19.581   3.437   9.201
  419   1HE   LYS  49          2HE       LYS  49 -20.818   3.698  11.120
  420   2HE   LYS  49          1HE       LYS  49 -21.884   4.567  10.016
  421   1HZ   LYS  49          3HZ       LYS  49 -22.126   1.669  10.610
  422   2HZ   LYS  49          2HZ       LYS  49 -23.016   2.876  11.409
  423   3HZ   LYS  49          1HZ       LYS  49 -23.219   2.632   9.740
  424    H    GLY  50           H        GLY  50 -21.701  -0.202   7.222
  425   1HA   GLY  50          2HA       GLY  50 -23.950  -1.429   6.498
  426   2HA   GLY  50          1HA       GLY  50 -23.079  -1.563   4.971
  427    H    VAL  51           H        VAL  51 -22.046  -3.478   4.739
  428    HA   VAL  51           HA       VAL  51 -20.714  -4.688   7.116
  429    HB   VAL  51           HB       VAL  51 -21.493  -6.953   6.094
  430   1HG1  VAL  51          3HG1      VAL  51 -22.181  -6.069   8.302
  431   2HG1  VAL  51          2HG1      VAL  51 -23.466  -5.147   7.522
  432   3HG1  VAL  51          1HG1      VAL  51 -23.509  -6.910   7.502
  433   1HG2  VAL  51          2HG2      VAL  51 -22.493  -5.786   4.064
  434   2HG2  VAL  51          1HG2      VAL  51 -23.566  -6.923   4.882
  435   3HG2  VAL  51          3HG2      VAL  51 -23.760  -5.188   5.136
  436    H    GLU  52           H        GLU  52 -19.738  -3.223   4.743
  437    HA   GLU  52           HA       GLU  52 -18.543  -5.063   2.885
  438   1HB   GLU  52          2HB       GLU  52 -17.139  -3.091   2.252
  439   2HB   GLU  52          1HB       GLU  52 -18.865  -2.738   2.270
  440   1HG   GLU  52          2HG       GLU  52 -17.779  -2.256   4.893
  441   2HG   GLU  52          1HG       GLU  52 -16.812  -1.393   3.697
  442    H    LYS  53           H        LYS  53 -16.996  -6.510   3.416
  443    HA   LYS  53           HA       LYS  53 -14.619  -5.677   4.916
  444   1HB   LYS  53          2HB       LYS  53 -16.780  -6.761   6.356
  445   2HB   LYS  53          1HB       LYS  53 -15.628  -8.085   6.191
  446   1HG   LYS  53          2HG       LYS  53 -13.831  -6.632   7.065
  447   2HG   LYS  53          1HG       LYS  53 -14.987  -5.311   7.239
  448   1HD   LYS  53          2HD       LYS  53 -15.580  -7.956   8.530
  449   2HD   LYS  53          1HD       LYS  53 -14.444  -6.854   9.306
  450   1HE   LYS  53          2HE       LYS  53 -16.071  -5.337   9.840
  451   2HE   LYS  53          1HE       LYS  53 -16.977  -5.632   8.356
  452   1HZ   LYS  53          3HZ       LYS  53 -16.867  -7.469  10.690
  453   2HZ   LYS  53          2HZ       LYS  53 -18.156  -6.424  10.323
  454   3HZ   LYS  53          1HZ       LYS  53 -17.774  -7.705   9.275
  455    H    TYR  54           H        TYR  54 -14.958  -6.607   2.255
  456    HA   TYR  54           HA       TYR  54 -14.293  -9.461   2.161
  457   1HB   TYR  54          2HB       TYR  54 -15.249  -7.545   0.312
  458   2HB   TYR  54          1HB       TYR  54 -13.673  -8.057  -0.287
  459    HD1  TYR  54           HD2      TYR  54 -13.417 -10.826   0.452
  460    HD2  TYR  54           HD1      TYR  54 -16.925  -8.703  -0.826
  461    HE1  TYR  54           HE2      TYR  54 -14.415 -12.953  -0.342
  462    HE2  TYR  54           HE1      TYR  54 -17.922 -10.829  -1.621
  463    HH   TYR  54           HH       TYR  54 -16.396 -13.428  -2.322
  464    H    GLY  55           H        GLY  55 -12.551  -6.385   1.599
  465   1HA   GLY  55          2HA       GLY  55 -10.262  -5.908   1.895
  466   2HA   GLY  55          1HA       GLY  55 -10.048  -7.534   2.537
  467    HA   PRO  56           HA       PRO  56  -7.656  -8.327  -1.098
  468   1HB   PRO  56          2HB       PRO  56  -8.178 -11.164  -0.763
  469   2HB   PRO  56          1HB       PRO  56  -6.676 -10.277  -0.477
  470   1HG   PRO  56          2HG       PRO  56  -8.468 -11.336   1.496
  471   2HG   PRO  56          1HG       PRO  56  -7.003 -10.385   1.773
  472   1HD   PRO  56          2HD       PRO  56  -9.730  -9.554   2.142
  473   2HD   PRO  56          1HD       PRO  56  -8.261  -8.592   2.386
  474    H    GLU  57           H        GLU  57 -10.175 -10.860  -0.898
  475    HA   GLU  57           HA       GLU  57 -11.579 -11.704  -2.569
  476   1HB   GLU  57          2HB       GLU  57 -13.269 -10.101  -3.291
  477   2HB   GLU  57          1HB       GLU  57 -12.872  -9.822  -1.599
  478   1HG   GLU  57          2HG       GLU  57 -11.401  -7.956  -2.234
  479   2HG   GLU  57          1HG       GLU  57 -11.748  -8.243  -3.937
  480    H    ALA  58           H        ALA  58  -9.047 -11.618  -3.607
  481    HA   ALA  58           HA       ALA  58  -8.050 -11.932  -5.713
  482   1HB   ALA  58          1HB       ALA  58 -10.593 -12.132  -6.429
  483   2HB   ALA  58          3HB       ALA  58 -10.283 -10.555  -7.153
  484   3HB   ALA  58          2HB       ALA  58  -9.325 -11.952  -7.641
  485    H    SER  59           H        SER  59  -9.158  -8.886  -4.535
  486    HA   SER  59           HA       SER  59  -7.760  -7.258  -6.522
  487   1HB   SER  59          2HB       SER  59  -9.803  -6.683  -4.885
  488   2HB   SER  59          1HB       SER  59  -8.487  -6.169  -3.835
  489    HG   SER  59           HG       SER  59  -9.150  -4.464  -5.169
  490    H    ALA  60           H        ALA  60  -7.221  -8.112  -3.077
  491    HA   ALA  60           HA       ALA  60  -4.659  -6.811  -2.890
  492   1HB   ALA  60          1HB       ALA  60  -6.051  -7.518  -0.918
  493   2HB   ALA  60          3HB       ALA  60  -5.630  -9.191  -1.283
  494   3HB   ALA  60          2HB       ALA  60  -4.372  -8.048  -0.821
  495    H    PHE  61           H        PHE  61  -5.682  -9.950  -4.105
  496    HA   PHE  61           HA       PHE  61  -3.207 -11.346  -4.033
  497   1HB   PHE  61          2HB       PHE  61  -5.730 -11.537  -5.567
  498   2HB   PHE  61          1HB       PHE  61  -4.320 -12.228  -6.367
  499    HD1  PHE  61           HD1      PHE  61  -2.749 -13.682  -4.772
  500    HD2  PHE  61           HD2      PHE  61  -6.910 -12.879  -4.070
  501    HE1  PHE  61           HE1      PHE  61  -2.884 -15.670  -3.294
  502    HE2  PHE  61           HE2      PHE  61  -7.045 -14.866  -2.593
  503    HZ   PHE  61           HZ       PHE  61  -5.032 -16.262  -2.205
  504    H    THR  62           H        THR  62  -4.271  -8.689  -6.014
  505    HA   THR  62           HA       THR  62  -2.298  -9.014  -8.132
  506    HB   THR  62           HB       THR  62  -3.698  -6.449  -7.338
  507    HG1  THR  62           HG1      THR  62  -5.470  -7.477  -7.739
  508   1HG2  THR  62          1HG2      THR  62  -1.829  -6.838  -9.220
  509   2HG2  THR  62          3HG2      THR  62  -3.247  -7.327 -10.145
  510   3HG2  THR  62          2HG2      THR  62  -3.168  -5.711  -9.446
  511    H    LYS  63           H        LYS  63  -2.608  -6.737  -5.380
  512    HA   LYS  63           HA       LYS  63   0.137  -5.824  -5.749
  513   1HB   LYS  63          2HB       LYS  63  -2.142  -5.093  -3.985
  514   2HB   LYS  63          1HB       LYS  63  -0.517  -4.666  -3.450
  515   1HG   LYS  63          2HG       LYS  63  -0.623  -4.023  -6.199
  516   2HG   LYS  63          1HG       LYS  63  -2.123  -3.421  -5.499
  517   1HD   LYS  63          2HD       LYS  63  -0.766  -2.331  -3.690
  518   2HD   LYS  63          1HD       LYS  63   0.690  -2.812  -4.560
  519   1HE   LYS  63          2HE       LYS  63  -0.945  -1.600  -6.494
  520   2HE   LYS  63          1HE       LYS  63  -1.085  -0.573  -5.068
  521   1HZ   LYS  63          3HZ       LYS  63   1.349  -0.541  -4.935
  522   2HZ   LYS  63          2HZ       LYS  63   1.437  -1.451  -6.366
  523   3HZ   LYS  63          1HZ       LYS  63   0.782   0.117  -6.390
  524    H    LYS  64           H        LYS  64  -1.152  -8.539  -4.128
  525    HA   LYS  64           HA       LYS  64   0.612  -8.523  -1.835
  526   1HB   LYS  64          2HB       LYS  64  -0.075 -10.827  -1.499
  527   2HB   LYS  64          1HB       LYS  64  -1.494  -9.883  -1.950
  528   1HG   LYS  64          2HG       LYS  64  -1.672 -11.790  -3.311
  529   2HG   LYS  64          1HG       LYS  64  -0.919 -10.607  -4.378
  530   1HD   LYS  64          2HD       LYS  64   0.901 -11.886  -4.609
  531   2HD   LYS  64          1HD       LYS  64   1.101 -11.983  -2.859
  532   1HE   LYS  64          2HE       LYS  64  -0.881 -13.710  -3.015
  533   2HE   LYS  64          1HE       LYS  64  -0.375 -13.842  -4.699
  534   1HZ   LYS  64          3HZ       LYS  64   1.424 -14.183  -2.361
  535   2HZ   LYS  64          2HZ       LYS  64   0.730 -15.458  -3.243
  536   3HZ   LYS  64          1HZ       LYS  64   1.836 -14.408  -3.991
  537    H    MET  65           H        MET  65   1.092  -9.113  -5.181
  538    HA   MET  65           HA       MET  65   3.101 -11.088  -5.193
  539   1HB   MET  65          2HB       MET  65   2.001  -9.355  -7.069
  540   2HB   MET  65          1HB       MET  65   3.694  -8.871  -6.997
  541   1HG   MET  65          2HG       MET  65   2.581 -11.615  -7.612
  542   2HG   MET  65          1HG       MET  65   3.567 -10.591  -8.655
  543   1HE   MET  65          2HE       MET  65   4.002 -13.421  -8.310
  544   2HE   MET  65          1HE       MET  65   5.379 -13.964  -7.352
  545   3HE   MET  65          3HE       MET  65   3.796 -13.752  -6.591
  546    H    LEU  66           H        LEU  66   3.232  -7.691  -4.256
  547    HA   LEU  66           HA       LEU  66   6.156  -7.706  -3.996
  548   1HB   LEU  66          2HB       LEU  66   6.000  -5.420  -3.544
  549   2HB   LEU  66          1HB       LEU  66   4.596  -5.675  -4.576
  550    HG   LEU  66           HG       LEU  66   3.602  -6.215  -2.042
  551   1HD1  LEU  66          1HD1      LEU  66   5.811  -4.199  -1.907
  552   2HD1  LEU  66          3HD1      LEU  66   4.356  -3.905  -0.957
  553   3HD1  LEU  66          2HD1      LEU  66   5.296  -5.373  -0.700
  554   1HD2  LEU  66          2HD2      LEU  66   3.151  -4.422  -4.159
  555   2HD2  LEU  66          1HD2      LEU  66   2.106  -4.684  -2.763
  556   3HD2  LEU  66          3HD2      LEU  66   3.319  -3.405  -2.728
  557    H    GLU  67           H        GLU  67   3.497  -8.702  -2.047
  558    HA   GLU  67           HA       GLU  67   4.774  -8.175   0.535
  559   1HB   GLU  67          2HB       GLU  67   2.240  -9.333  -0.463
  560   2HB   GLU  67          1HB       GLU  67   2.850 -10.057   1.024
  561   1HG   GLU  67          2HG       GLU  67   1.369  -8.153   1.504
  562   2HG   GLU  67          1HG       GLU  67   3.011  -7.837   2.053
  563    H    ASN  68           H        ASN  68   4.448 -10.833  -1.737
  564    HA   ASN  68           HA       ASN  68   6.030 -12.609   0.051
  565   1HB   ASN  68          2HB       ASN  68   5.160 -14.439  -1.167
  566   2HB   ASN  68          1HB       ASN  68   3.804 -13.322  -1.033
  567   1HD2  ASN  68          2HD2      ASN  68   3.964 -12.421  -4.551
  568   2HD2  ASN  68          1HD2      ASN  68   3.618 -11.718  -3.043
  569    H    ALA  69           H        ALA  69   6.503 -10.545  -2.623
  570    HA   ALA  69           HA       ALA  69   8.588 -12.112  -3.956
  571   1HB   ALA  69          1HB       ALA  69   7.648  -9.251  -4.188
  572   2HB   ALA  69          3HB       ALA  69   9.040  -9.858  -5.085
  573   3HB   ALA  69          2HB       ALA  69   7.446 -10.563  -5.350
  574    H    LYS  70           H        LYS  70  10.817 -11.274  -4.155
  575    HA   LYS  70           HA       LYS  70  11.792 -10.123  -1.562
  576   1HB   LYS  70          2HB       LYS  70  12.441 -12.542  -2.194
  577   2HB   LYS  70          1HB       LYS  70  13.435 -11.817  -3.457
  578   1HG   LYS  70          2HG       LYS  70  13.766 -10.571  -0.805
  579   2HG   LYS  70          1HG       LYS  70  14.273 -12.259  -0.877
  580   1HD   LYS  70          2HD       LYS  70  15.960 -11.837  -2.399
  581   2HD   LYS  70          1HD       LYS  70  15.120 -10.456  -3.105
  582   1HE   LYS  70          2HE       LYS  70  15.876 -10.133  -0.263
  583   2HE   LYS  70          1HE       LYS  70  17.231 -10.236  -1.387
  584   1HZ   LYS  70          3HZ       LYS  70  16.206  -8.483  -2.712
  585   2HZ   LYS  70          2HZ       LYS  70  14.927  -8.371  -1.598
  586   3HZ   LYS  70          1HZ       LYS  70  16.506  -7.958  -1.127
  587    H    LYS  71           H        LYS  71  12.355 -10.295  -5.072
  588    HA   LYS  71           HA       LYS  71  14.024  -7.835  -4.974
  589   1HB   LYS  71          2HB       LYS  71  13.359  -9.874  -7.097
  590   2HB   LYS  71          1HB       LYS  71  14.009  -8.299  -7.552
  591   1HG   LYS  71          2HG       LYS  71  15.363  -9.934  -5.415
  592   2HG   LYS  71          1HG       LYS  71  15.678 -10.263  -7.119
  593   1HD   LYS  71          2HD       LYS  71  15.792  -7.407  -6.328
  594   2HD   LYS  71          1HD       LYS  71  17.069  -8.431  -5.672
  595   1HE   LYS  71          2HE       LYS  71  17.472  -9.285  -8.014
  596   2HE   LYS  71          1HE       LYS  71  16.347  -8.055  -8.590
  597   1HZ   LYS  71          2HZ       LYS  71  17.747  -6.359  -7.578
  598   2HZ   LYS  71          1HZ       LYS  71  18.839  -7.550  -7.053
  599   3HZ   LYS  71          3HZ       LYS  71  18.621  -7.273  -8.712
  600    H    ILE  72           H        ILE  72  13.105  -5.828  -5.442
  601    HA   ILE  72           HA       ILE  72  10.459  -5.848  -6.808
  602    HB   ILE  72           HB       ILE  72  11.121  -3.982  -4.522
  603   1HG1  ILE  72          2HG1      ILE  72   9.440  -6.486  -4.277
  604   2HG1  ILE  72          1HG1      ILE  72  11.145  -6.458  -3.846
  605   1HG2  ILE  72          1HG2      ILE  72   8.764  -4.578  -6.232
  606   2HG2  ILE  72          3HG2      ILE  72   8.443  -4.248  -4.529
  607   3HG2  ILE  72          2HG2      ILE  72   9.281  -3.051  -5.516
  608   1HD1  ILE  72          3HD1      ILE  72   9.733  -4.199  -2.687
  609   2HD1  ILE  72          2HD1      ILE  72   8.999  -5.729  -2.205
  610   3HD1  ILE  72          1HD1      ILE  72  10.707  -5.433  -1.889
  611    H    GLU  73           H        GLU  73   9.921  -3.588  -7.567
  612    HA   GLU  73           HA       GLU  73  12.218  -1.826  -8.028
  613   1HB   GLU  73          2HB       GLU  73  11.037  -3.594 -10.125
  614   2HB   GLU  73          1HB       GLU  73  11.316  -1.918 -10.596
  615   1HG   GLU  73          2HG       GLU  73  13.636  -2.063 -10.200
  616   2HG   GLU  73          1HG       GLU  73  13.467  -3.502  -9.197
  617    H    VAL  74           H        VAL  74  10.620  -0.733  -6.561
  618    HA   VAL  74           HA       VAL  74   7.975  -0.068  -7.219
  619    HB   VAL  74           HB       VAL  74   9.265   2.299  -6.138
  620   1HG1  VAL  74          1HG1      VAL  74   6.932   0.736  -5.822
  621   2HG1  VAL  74          3HG1      VAL  74   7.720   0.791  -4.246
  622   3HG1  VAL  74          2HG1      VAL  74   7.301   2.289  -5.076
  623   1HG2  VAL  74          3HG2      VAL  74   9.980  -0.363  -4.917
  624   2HG2  VAL  74          2HG2      VAL  74  11.025   1.025  -5.226
  625   3HG2  VAL  74          1HG2      VAL  74   9.836   1.089  -3.930
  626    H    GLU  75           H        GLU  75   7.433   0.505  -9.232
  627    HA   GLU  75           HA       GLU  75   9.069   2.446 -10.732
  628   1HB   GLU  75          2HB       GLU  75   6.498   1.037 -11.515
  629   2HB   GLU  75          1HB       GLU  75   7.578   1.916 -12.596
  630   1HG   GLU  75          2HG       GLU  75   9.361   0.200 -11.550
  631   2HG   GLU  75          1HG       GLU  75   7.913  -0.775 -11.360
  632    H    PHE  76           H        PHE  76   8.734   4.399  -9.646
  633    HA   PHE  76           HA       PHE  76   5.980   5.508  -9.870
  634   1HB   PHE  76          2HB       PHE  76   5.995   6.419  -7.669
  635   2HB   PHE  76          1HB       PHE  76   6.501   4.747  -7.496
  636    HD1  PHE  76           HD2      PHE  76   9.222   4.498  -7.840
  637    HD2  PHE  76           HD1      PHE  76   7.162   7.971  -6.375
  638    HE1  PHE  76           HE2      PHE  76  11.285   5.231  -6.694
  639    HE2  PHE  76           HE1      PHE  76   9.227   8.698  -5.223
  640    HZ   PHE  76           HZ       PHE  76  11.290   7.336  -5.383
  641    H    ASP  77           H        ASP  77   7.667   6.040 -11.813
  642    HA   ASP  77           HA       ASP  77   8.638   7.777 -13.033
  643   1HB   ASP  77          2HB       ASP  77   6.696   9.039 -11.914
  644   2HB   ASP  77          1HB       ASP  77   7.883   9.610 -10.745
  645    H    LYS  78           H        LYS  78  10.471   9.478 -12.830
  646    HA   LYS  78           HA       LYS  78  12.745   8.335 -11.593
  647   1HB   LYS  78          2HB       LYS  78  13.797  10.607 -11.889
  648   2HB   LYS  78          1HB       LYS  78  13.031   9.982 -13.347
  649   1HG   LYS  78          2HG       LYS  78  11.451  11.617 -13.365
  650   2HG   LYS  78          1HG       LYS  78  11.228  11.550 -11.618
  651   1HD   LYS  78          2HD       LYS  78  13.744  12.721 -12.786
  652   2HD   LYS  78          1HD       LYS  78  12.280  13.698 -12.652
  653   1HE   LYS  78          2HE       LYS  78  12.195  12.954 -10.197
  654   2HE   LYS  78          1HE       LYS  78  13.845  12.378 -10.428
  655   1HZ   LYS  78          2HZ       LYS  78  14.366  14.666 -11.265
  656   2HZ   LYS  78          1HZ       LYS  78  12.837  15.151 -10.704
  657   3HZ   LYS  78          3HZ       LYS  78  13.995  14.570  -9.610
  658    H    GLY  79           H        GLY  79  10.257  10.394 -10.273
  659   1HA   GLY  79          2HA       GLY  79  10.815   9.828  -7.574
  660   2HA   GLY  79          1HA       GLY  79  11.623  11.353  -7.946
  661    H    GLN  80           H        GLN  80   8.582   9.879  -7.232
  662    HA   GLN  80           HA       GLN  80   6.917  12.004  -8.307
  663   1HB   GLN  80          2HB       GLN  80   6.497   9.602  -6.567
  664   2HB   GLN  80          1HB       GLN  80   5.270  10.867  -6.550
  665   1HG   GLN  80          2HG       GLN  80   5.161  10.747  -9.039
  666   2HG   GLN  80          1HG       GLN  80   6.299   9.402  -8.995
  667   1HE2  GLN  80          2HE2      GLN  80   3.742   7.404  -7.109
  668   2HE2  GLN  80          1HE2      GLN  80   5.290   7.975  -6.732
  669    H    ARG  81           H        ARG  81   5.264  12.661  -6.121
  670    HA   ARG  81           HA       ARG  81   7.145  13.842  -4.152
  671   1HB   ARG  81          2HB       ARG  81   6.389  16.040  -4.519
  672   2HB   ARG  81          1HB       ARG  81   6.663  15.369  -6.124
  673   1HG   ARG  81          2HG       ARG  81   4.463  15.477  -6.681
  674   2HG   ARG  81          1HG       ARG  81   3.934  14.922  -5.094
  675   1HD   ARG  81          2HD       ARG  81   5.035  17.704  -5.519
  676   2HD   ARG  81          1HD       ARG  81   3.324  17.337  -5.742
  677    HE   ARG  81           HE       ARG  81   3.882  16.316  -3.231
  678   1HH1  ARG  81          2HH1      ARG  81   5.994  18.356  -2.909
  679   2HH1  ARG  81          1HH1      ARG  81   5.123  19.728  -2.312
  680   1HH2  ARG  81          1HH2      ARG  81   2.015  18.512  -3.283
  681   2HH2  ARG  81          2HH2      ARG  81   2.864  19.817  -2.524
  682    H    THR  82           H        THR  82   4.786  11.781  -4.235
  683    HA   THR  82           HA       THR  82   3.095  13.061  -2.146
  684    HB   THR  82           HB       THR  82   2.082  10.527  -2.556
  685    HG1  THR  82           HG1      THR  82   2.639  11.619  -5.107
  686   1HG2  THR  82          2HG2      THR  82   1.350  13.184  -3.797
  687   2HG2  THR  82          1HG2      THR  82   0.311  11.760  -3.865
  688   3HG2  THR  82          3HG2      THR  82   0.714  12.483  -2.308
  689    H    ASP  83           H        ASP  83   3.431  12.511  -0.090
  690    HA   ASP  83           HA       ASP  83   4.384   9.912   0.765
  691   1HB   ASP  83          2HB       ASP  83   6.459  10.977  -0.154
  692   2HB   ASP  83          1HB       ASP  83   6.300  12.231   1.074
  693    H    LYS  84           H        LYS  84   2.151  11.180   1.476
  694    HA   LYS  84           HA       LYS  84   2.431  11.513   4.364
  695   1HB   LYS  84          2HB       LYS  84   2.468  13.845   2.725
  696   2HB   LYS  84          1HB       LYS  84   0.875  13.777   3.478
  697   1HG   LYS  84          2HG       LYS  84   3.094  13.128   5.307
  698   2HG   LYS  84          1HG       LYS  84   3.130  14.780   4.688
  699   1HD   LYS  84          2HD       LYS  84   1.614  15.262   6.294
  700   2HD   LYS  84          1HD       LYS  84   0.449  14.392   5.296
  701   1HE   LYS  84          2HE       LYS  84   0.227  13.236   7.296
  702   2HE   LYS  84          1HE       LYS  84   1.475  12.273   6.509
  703   1HZ   LYS  84          1HZ       LYS  84   2.075  14.537   8.329
  704   2HZ   LYS  84          3HZ       LYS  84   1.957  12.929   8.856
  705   3HZ   LYS  84          2HZ       LYS  84   3.157  13.368   7.735
  706    H    TYR  85           H        TYR  85   0.273  12.202   1.626
  707    HA   TYR  85           HA       TYR  85  -1.862  10.573   2.945
  708   1HB   TYR  85          2HB       TYR  85  -3.515  11.995   1.901
  709   2HB   TYR  85          1HB       TYR  85  -2.349  13.058   2.688
  710    HD1  TYR  85           HD2      TYR  85  -0.642  14.271   1.348
  711    HD2  TYR  85           HD1      TYR  85  -3.705  11.899  -0.510
  712    HE1  TYR  85           HE2      TYR  85  -0.153  15.343  -0.833
  713    HE2  TYR  85           HE1      TYR  85  -3.214  12.970  -2.689
  714    HH   TYR  85           HH       TYR  85  -1.702  15.727  -3.083
  715    H    GLY  86           H        GLY  86  -0.151  11.374  -0.052
  716   1HA   GLY  86          2HA       GLY  86  -1.569   9.195  -1.487
  717   2HA   GLY  86          1HA       GLY  86  -0.638  10.479  -2.249
  718    H    ARG  87           H        ARG  87   1.483   9.906   0.003
  719    HA   ARG  87           HA       ARG  87   3.594   8.884  -0.181
  720   1HB   ARG  87          2HB       ARG  87   3.548   6.535   0.363
  721   2HB   ARG  87          1HB       ARG  87   2.252   7.337   1.239
  722   1HG   ARG  87          2HG       ARG  87   1.603   6.181  -1.440
  723   2HG   ARG  87          1HG       ARG  87   1.834   5.066  -0.095
  724   1HD   ARG  87          2HD       ARG  87  -0.003   5.865   1.056
  725   2HD   ARG  87          1HD       ARG  87   0.137   7.476   0.376
  726    HE   ARG  87           HE       ARG  87  -0.510   5.685  -1.755
  727   1HH1  ARG  87          1HH2      ARG  87  -2.037   4.793   0.884
  728   2HH1  ARG  87          2HH2      ARG  87  -3.584   5.503   0.568
  729   1HH2  ARG  87          2HH1      ARG  87  -2.440   7.512  -2.015
  730   2HH2  ARG  87          1HH1      ARG  87  -3.814   7.036  -1.078
  731    H    VAL  88           H        VAL  88   3.728   6.116  -1.569
  732    HA   VAL  88           HA       VAL  88   4.636   7.236  -4.100
  733    HB   VAL  88           HB       VAL  88   4.392   4.349  -3.250
  734   1HG1  VAL  88          2HG1      VAL  88   5.894   5.810  -5.447
  735   2HG1  VAL  88          1HG1      VAL  88   6.342   4.185  -4.931
  736   3HG1  VAL  88          3HG1      VAL  88   4.747   4.482  -5.625
  737   1HG2  VAL  88          1HG2      VAL  88   6.710   6.307  -3.013
  738   2HG2  VAL  88          3HG2      VAL  88   5.774   5.652  -1.670
  739   3HG2  VAL  88          2HG2      VAL  88   6.795   4.587  -2.637
  740    H    LEU  89           H        LEU  89   2.740   8.021  -5.088
  741    HA   LEU  89           HA       LEU  89   0.451   6.256  -5.573
  742   1HB   LEU  89          2HB       LEU  89   1.156   9.032  -6.554
  743   2HB   LEU  89          1HB       LEU  89  -0.345   8.201  -6.971
  744    HG   LEU  89           HG       LEU  89   0.615   8.950  -4.202
  745   1HD1  LEU  89          1HD1      LEU  89  -1.776   9.762  -5.873
  746   2HD1  LEU  89          3HD1      LEU  89  -1.509  10.241  -4.197
  747   3HD1  LEU  89          2HD1      LEU  89  -0.396  10.779  -5.456
  748   1HD2  LEU  89          3HD2      LEU  89  -1.547   7.091  -5.166
  749   2HD2  LEU  89          2HD2      LEU  89  -0.414   6.873  -3.836
  750   3HD2  LEU  89          1HD2      LEU  89  -1.770   7.987  -3.666
  751    H    ALA  90           H        ALA  90   2.175   4.687  -6.593
  752    HA   ALA  90           HA       ALA  90   1.903   5.004  -9.520
  753   1HB   ALA  90          2HB       ALA  90   4.124   5.948  -8.925
  754   2HB   ALA  90          1HB       ALA  90   4.562   4.404  -8.193
  755   3HB   ALA  90          3HB       ALA  90   4.256   4.503  -9.927
  756    H    TYR  91           H        TYR  91   4.171   2.603  -8.637
  757    HA   TYR  91           HA       TYR  91   2.251   0.554  -7.899
  758   1HB   TYR  91          2HB       TYR  91   2.867   1.000 -10.724
  759   2HB   TYR  91          1HB       TYR  91   3.095  -0.668 -10.192
  760    HD1  TYR  91           HD2      TYR  91   1.189  -1.436  -8.417
  761    HD2  TYR  91           HD1      TYR  91   0.716   1.523 -11.491
  762    HE1  TYR  91           HE2      TYR  91  -1.257  -1.769  -8.353
  763    HE2  TYR  91           HE1      TYR  91  -1.737   1.188 -11.427
  764    HH   TYR  91           HH       TYR  91  -3.224  -1.229 -10.497
  765    H    ILE  92           H        ILE  92   3.168  -1.547  -7.600
  766    HA   ILE  92           HA       ILE  92   6.092  -1.393  -7.005
  767    HB   ILE  92           HB       ILE  92   4.147  -3.528  -6.086
  768   1HG1  ILE  92          2HG1      ILE  92   3.432  -1.223  -5.344
  769   2HG1  ILE  92          1HG1      ILE  92   3.861  -2.299  -4.017
  770   1HG2  ILE  92          1HG2      ILE  92   6.947  -2.680  -5.371
  771   2HG2  ILE  92          3HG2      ILE  92   5.955  -3.569  -4.215
  772   3HG2  ILE  92          2HG2      ILE  92   6.348  -4.289  -5.775
  773   1HD1  ILE  92          3HD1      ILE  92   6.261  -1.255  -4.337
  774   2HD1  ILE  92          2HD1      ILE  92   5.364   0.053  -5.103
  775   3HD1  ILE  92          1HD1      ILE  92   5.031  -0.380  -3.427
  776    H    TYR  93           H        TYR  93   7.486  -2.972  -7.897
  777    HA   TYR  93           HA       TYR  93   6.221  -4.859  -9.831
  778   1HB   TYR  93          2HB       TYR  93   8.467  -2.906 -10.307
  779   2HB   TYR  93          1HB       TYR  93   8.214  -4.311 -11.346
  780    HD1  TYR  93           HD2      TYR  93   6.334  -1.398  -9.855
  781    HD2  TYR  93           HD1      TYR  93   6.689  -4.194 -13.089
  782    HE1  TYR  93           HE2      TYR  93   4.560  -0.221 -11.079
  783    HE2  TYR  93           HE1      TYR  93   4.913  -3.022 -14.313
  784    HH   TYR  93           HH       TYR  93   2.768  -1.233 -13.169
  785    H    ALA  94           H        ALA  94   6.677  -6.279  -7.867
  786    HA   ALA  94           HA       ALA  94   9.474  -7.196  -7.861
  787   1HB   ALA  94          3HB       ALA  94   8.399  -6.300  -5.705
  788   2HB   ALA  94          2HB       ALA  94   7.430  -7.770  -5.716
  789   3HB   ALA  94          1HB       ALA  94   9.186  -7.873  -5.597
  790    H    ASP  95           H        ASP  95   9.832  -9.165  -8.684
  791    HA   ASP  95           HA       ASP  95   9.469 -11.246  -9.700
  792   1HB   ASP  95          2HB       ASP  95   9.294 -11.621  -7.171
  793   2HB   ASP  95          1HB       ASP  95   7.549 -11.706  -7.415
  794    H    GLY  96           H        GLY  96   8.248 -10.189 -11.527
  795   1HA   GLY  96          2HA       GLY  96   6.443 -10.138 -13.033
  796   2HA   GLY  96          1HA       GLY  96   5.903 -11.615 -12.236
  797    H    LYS  97           H        LYS  97   6.320  -8.480 -10.689
  798    HA   LYS  97           HA       LYS  97   3.613  -8.659  -9.690
  799   1HB   LYS  97          2HB       LYS  97   5.243  -7.693  -8.220
  800   2HB   LYS  97          1HB       LYS  97   5.764  -6.553  -9.453
  801   1HG   LYS  97          2HG       LYS  97   4.340  -5.469  -7.750
  802   2HG   LYS  97          1HG       LYS  97   3.594  -5.409  -9.340
  803   1HD   LYS  97          2HD       LYS  97   1.799  -6.538  -8.599
  804   2HD   LYS  97          1HD       LYS  97   2.817  -7.828  -7.969
  805   1HE   LYS  97          2HE       LYS  97   1.634  -6.889  -6.093
  806   2HE   LYS  97          1HE       LYS  97   3.305  -6.341  -5.978
  807   1HZ   LYS  97          2HZ       LYS  97   1.058  -4.790  -7.154
  808   2HZ   LYS  97          1HZ       LYS  97   1.748  -4.522  -5.626
  809   3HZ   LYS  97          3HZ       LYS  97   2.667  -4.262  -7.027
  810    H    MET  98           H        MET  98   4.693  -5.516 -10.849
  811    HA   MET  98           HA       MET  98   3.696  -4.056 -12.375
  812   1HB   MET  98          2HB       MET  98   3.017  -6.519 -14.001
  813   2HB   MET  98          1HB       MET  98   3.345  -4.891 -14.587
  814   1HG   MET  98          2HG       MET  98   5.532  -5.377 -14.778
  815   2HG   MET  98          1HG       MET  98   5.608  -5.788 -13.064
  816   1HE   MET  98          2HE       MET  98   4.066  -6.982 -16.360
  817   2HE   MET  98          1HE       MET  98   5.799  -7.070 -16.663
  818   3HE   MET  98          3HE       MET  98   4.826  -8.547 -16.633
  819    H    VAL  99           H        VAL  99   2.115  -5.791 -10.321
  820    HA   VAL  99           HA       VAL  99  -0.059  -6.149  -9.668
  821    HB   VAL  99           HB       VAL  99   0.410  -3.507 -10.298
  822   1HG1  VAL  99          2HG1      VAL  99  -0.962  -4.123 -12.454
  823   2HG1  VAL  99          1HG1      VAL  99  -2.348  -4.016 -11.371
  824   3HG1  VAL  99          3HG1      VAL  99  -1.297  -2.619 -11.600
  825   1HG2  VAL  99          2HG2      VAL  99  -1.381  -5.088  -8.676
  826   2HG2  VAL  99          1HG2      VAL  99  -0.693  -3.500  -8.350
  827   3HG2  VAL  99          3HG2      VAL  99  -2.207  -3.637  -9.243
  828    H    ASN 100           H        ASN 100   0.874  -7.448 -12.172
  829    HA   ASN 100           HA       ASN 100  -1.265  -7.387 -14.127
  830   1HB   ASN 100          2HB       ASN 100   1.257  -8.839 -13.714
  831   2HB   ASN 100          1HB       ASN 100   0.014  -9.787 -14.528
  832   1HD2  ASN 100          2HD2      ASN 100   0.097  -7.844 -17.501
  833   2HD2  ASN 100          1HD2      ASN 100  -0.731  -9.048 -16.638
  834    H    GLU 101           H        GLU 101  -1.110  -8.887 -11.037
  835    HA   GLU 101           HA       GLU 101  -2.758 -11.201 -11.739
  836   1HB   GLU 101          2HB       GLU 101  -1.141 -10.494  -9.560
  837   2HB   GLU 101          1HB       GLU 101  -2.782 -10.529  -8.913
  838   1HG   GLU 101          2HG       GLU 101  -2.569 -12.775 -10.620
  839   2HG   GLU 101          1HG       GLU 101  -1.089 -12.747  -9.662
  840    H    ALA 102           H        ALA 102  -3.744  -8.260 -12.128
  841    HA   ALA 102           HA       ALA 102  -6.047  -8.078 -10.334
  842   1HB   ALA 102          3HB       ALA 102  -4.907  -6.061 -11.271
  843   2HB   ALA 102          2HB       ALA 102  -5.463  -6.531 -12.877
  844   3HB   ALA 102          1HB       ALA 102  -6.634  -6.096 -11.632
  845    H    LEU 103           HN       LEU 103  -8.297  -8.032 -11.190
  846    HA   LEU 103           HA       LEU 103  -8.873 -10.373 -12.781
  847   1HB   LEU 103          2HB       LEU 103 -10.560  -8.124 -11.678
  848   2HB   LEU 103          1HB       LEU 103 -11.260  -9.363 -12.721
  849    HG   LEU 103           HG       LEU 103  -9.582 -10.524 -10.632
  850   1HD1  LEU 103          2HD1      LEU 103 -11.585  -8.457  -9.904
  851   2HD1  LEU 103          1HD1      LEU 103 -11.684  -9.972  -9.006
  852   3HD1  LEU 103          3HD1      LEU 103 -10.187  -9.039  -9.001
  853   1HD2  LEU 103          2HD2      LEU 103 -11.277 -11.681 -12.093
  854   2HD2  LEU 103          1HD2      LEU 103 -11.515 -11.967 -10.370
  855   3HD2  LEU 103          3HD2      LEU 103 -12.544 -10.816 -11.223
   
  No H/Q in entry =         855
  Start of MODEL           9
 Raw file had  866 H/Q atoms
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1  12.081  12.005 -19.721
    2   2H    ALA   1          3H        ALA   1  12.602  13.491 -20.353
    3   3H    ALA   1          2H        ALA   1  13.743  12.324 -19.877
    4    HA   ALA   1           HA       ALA   1  13.070  12.539 -17.578
    5   1HB   ALA   1          1HB       ALA   1  14.863  14.002 -18.438
    6   2HB   ALA   1          3HB       ALA   1  13.658  15.199 -18.918
    7   3HB   ALA   1          2HB       ALA   1  13.908  14.835 -17.210
    8    H    THR   2           H        THR   2  11.104  12.488 -16.601
    9    HA   THR   2           HA       THR   2   9.300  14.833 -16.941
   10    HB   THR   2           HB       THR   2   7.341  13.190 -16.945
   11    HG1  THR   2           HG1      THR   2   8.186  11.275 -16.449
   12   1HG2  THR   2          2HG2      THR   2   8.226  14.442 -18.954
   13   2HG2  THR   2          1HG2      THR   2   9.165  13.003 -19.352
   14   3HG2  THR   2          3HG2      THR   2   7.402  12.930 -19.334
   15    H    SER   3           H        SER   3   8.810  15.607 -14.952
   16    HA   SER   3           HA       SER   3   9.227  13.871 -12.591
   17   1HB   SER   3          2HB       SER   3   9.078  15.998 -11.306
   18   2HB   SER   3          1HB       SER   3  10.320  16.059 -12.553
   19    HG   SER   3           HG       SER   3   9.199  17.524 -13.589
   20    H    THR   4           H        THR   4   6.922  13.285 -14.155
   21    HA   THR   4           HA       THR   4   4.837  13.665 -12.109
   22    HB   THR   4           HB       THR   4   4.432  15.613 -13.498
   23    HG1  THR   4           HG1      THR   4   2.463  14.985 -13.154
   24   1HG2  THR   4          1HG2      THR   4   5.679  14.667 -15.502
   25   2HG2  THR   4          3HG2      THR   4   4.208  13.776 -15.891
   26   3HG2  THR   4          2HG2      THR   4   4.194  15.538 -15.879
   27    H    LYS   5           H        LYS   5   5.619  12.327 -15.337
   28    HA   LYS   5           HA       LYS   5   4.191   9.828 -14.527
   29   1HB   LYS   5          2HB       LYS   5   4.216  11.173 -17.249
   30   2HB   LYS   5          1HB       LYS   5   3.608   9.544 -16.959
   31   1HG   LYS   5          2HG       LYS   5   1.645  10.346 -16.198
   32   2HG   LYS   5          1HG       LYS   5   2.469  11.397 -15.045
   33   1HD   LYS   5          2HD       LYS   5   1.292  12.888 -16.464
   34   2HD   LYS   5          1HD       LYS   5   2.951  12.932 -17.060
   35   1HE   LYS   5          2HE       LYS   5   2.298  12.171 -19.076
   36   2HE   LYS   5          1HE       LYS   5   1.514  10.776 -18.338
   37   1HZ   LYS   5          3HZ       LYS   5   0.328  13.487 -18.602
   38   2HZ   LYS   5          2HZ       LYS   5  -0.065  12.137 -19.556
   39   3HZ   LYS   5          1HZ       LYS   5  -0.428  12.142 -17.897
   40    H    LYS   6           H        LYS   6   6.113   8.758 -13.942
   41    HA   LYS   6           HA       LYS   6   8.009   8.247 -16.183
   42   1HB   LYS   6          2HB       LYS   6   8.854   9.816 -14.318
   43   2HB   LYS   6          1HB       LYS   6   8.878   8.378 -13.297
   44   1HG   LYS   6          2HG       LYS   6  10.996   8.163 -14.129
   45   2HG   LYS   6          1HG       LYS   6  10.153   7.413 -15.485
   46   1HD   LYS   6          2HD       LYS   6  10.164  10.309 -15.740
   47   2HD   LYS   6          1HD       LYS   6  11.804   9.681 -15.592
   48   1HE   LYS   6          2HE       LYS   6  11.449   8.153 -17.442
   49   2HE   LYS   6          1HE       LYS   6   9.744   8.591 -17.529
   50   1HZ   LYS   6          1HZ       LYS   6  11.961  10.526 -17.905
   51   2HZ   LYS   6          3HZ       LYS   6  11.189   9.723 -19.184
   52   3HZ   LYS   6          2HZ       LYS   6  10.306  10.785 -18.194
   53    H    LEU   7           H        LEU   7   7.242   7.029 -12.886
   54    HA   LEU   7           HA       LEU   7   6.976   4.841 -12.095
   55   1HB   LEU   7          2HB       LEU   7   5.555   4.984 -14.521
   56   2HB   LEU   7          1HB       LEU   7   6.504   3.504 -14.642
   57    HG   LEU   7           HG       LEU   7   5.662   2.954 -12.282
   58   1HD1  LEU   7          3HD1      LEU   7   4.868   5.228 -11.728
   59   2HD1  LEU   7          2HD1      LEU   7   3.672   5.123 -13.020
   60   3HD1  LEU   7          1HD1      LEU   7   3.556   4.054 -11.621
   61   1HD2  LEU   7          2HD2      LEU   7   3.654   3.142 -14.551
   62   2HD2  LEU   7          1HD2      LEU   7   4.813   1.834 -14.311
   63   3HD2  LEU   7          3HD2      LEU   7   3.512   2.085 -13.147
   64    H    HIS   8           H        HIS   8   9.476   5.322 -12.052
   65    HA   HIS   8           HA       HIS   8  11.092   3.768 -13.926
   66   1HB   HIS   8          2HB       HIS   8  11.723   5.963 -12.677
   67   2HB   HIS   8          1HB       HIS   8  12.103   4.905 -11.321
   68    HD1  HIS   8           HD1      HIS   8  12.831   4.830 -15.081
   69    HD2  HIS   8           HD2      HIS   8  14.758   4.180 -11.441
   70    HE1  HIS   8           HE1      HIS   8  15.218   4.195 -15.638
   71    H    LYS   9           H        LYS   9  12.627   3.186 -11.043
   72    HA   LYS   9           HA       LYS   9  11.176   1.014  -9.901
   73   1HB   LYS   9          2HB       LYS   9  12.694  -0.832 -10.862
   74   2HB   LYS   9          1HB       LYS   9  11.413  -0.228 -11.909
   75   1HG   LYS   9          2HG       LYS   9  12.985   1.217 -13.081
   76   2HG   LYS   9          1HG       LYS   9  14.277   0.774 -11.964
   77   1HD   LYS   9          2HD       LYS   9  14.665  -0.605 -13.841
   78   2HD   LYS   9          1HD       LYS   9  13.819  -1.662 -12.712
   79   1HE   LYS   9          2HE       LYS   9  12.754  -1.972 -14.836
   80   2HE   LYS   9          1HE       LYS   9  11.659  -0.978 -13.878
   81   1HZ   LYS   9          3HZ       LYS   9  13.663   0.188 -15.722
   82   2HZ   LYS   9          2HZ       LYS   9  12.093  -0.218 -16.224
   83   3HZ   LYS   9          1HZ       LYS   9  12.323   0.952 -15.014
   84    H    GLU  10           H        GLU  10  12.200   0.362  -8.020
   85    HA   GLU  10           HA       GLU  10  15.091   0.599  -7.647
   86   1HB   GLU  10          2HB       GLU  10  13.186   2.655  -6.611
   87   2HB   GLU  10          1HB       GLU  10  14.429   2.095  -5.495
   88   1HG   GLU  10          2HG       GLU  10  16.007   3.301  -6.550
   89   2HG   GLU  10          1HG       GLU  10  15.583   2.585  -8.103
   90    HA   PRO  11           HA       PRO  11  13.790  -2.987  -5.378
   91   1HB   PRO  11          2HB       PRO  11  16.275  -2.659  -3.866
   92   2HB   PRO  11          1HB       PRO  11  15.737  -4.000  -4.889
   93   1HG   PRO  11          2HG       PRO  11  17.677  -2.098  -5.588
   94   2HG   PRO  11          1HG       PRO  11  16.855  -3.197  -6.703
   95   1HD   PRO  11          2HD       PRO  11  16.546  -0.309  -6.460
   96   2HD   PRO  11          1HD       PRO  11  15.850  -1.399  -7.679
   97    H    ALA  12           H        ALA  12  12.557  -3.146  -3.657
   98    HA   ALA  12           HA       ALA  12  12.798  -1.152  -1.439
   99   1HB   ALA  12          3HB       ALA  12  10.678  -1.476  -3.182
  100   2HB   ALA  12          2HB       ALA  12  10.179  -2.426  -1.783
  101   3HB   ALA  12          1HB       ALA  12  10.586  -0.721  -1.593
  102    H    THR  13           H        THR  13  10.784  -2.549   0.168
  103    HA   THR  13           HA       THR  13  11.925  -5.248   0.569
  104    HB   THR  13           HB       THR  13  13.333  -3.811   1.985
  105    HG1  THR  13           HG1      THR  13  12.928  -5.764   2.885
  106   1HG2  THR  13          2HG2      THR  13  11.559  -2.007   2.224
  107   2HG2  THR  13          1HG2      THR  13  10.810  -3.024   3.455
  108   3HG2  THR  13          3HG2      THR  13  12.442  -2.401   3.699
  109    H    LEU  14           H        LEU  14  10.286  -6.629   0.944
  110    HA   LEU  14           HA       LEU  14   7.562  -5.828   1.083
  111   1HB   LEU  14          2HB       LEU  14   8.590  -8.122   0.439
  112   2HB   LEU  14          1HB       LEU  14   8.575  -8.457   2.169
  113    HG   LEU  14           HG       LEU  14   6.156  -7.593   0.574
  114   1HD1  LEU  14          3HD1      LEU  14   7.394 -10.231   1.070
  115   2HD1  LEU  14          2HD1      LEU  14   5.664 -10.150   1.398
  116   3HD1  LEU  14          1HD1      LEU  14   6.278  -9.732  -0.202
  117   1HD2  LEU  14          1HD2      LEU  14   6.674  -8.300   3.448
  118   2HD2  LEU  14          3HD2      LEU  14   5.655  -7.023   2.780
  119   3HD2  LEU  14          2HD2      LEU  14   5.107  -8.698   2.745
  120    H    ILE  15           H        ILE  15   6.707  -4.688   2.781
  121    HA   ILE  15           HA       ILE  15   7.686  -5.358   5.517
  122    HB   ILE  15           HB       ILE  15   6.180  -2.929   4.495
  123   1HG1  ILE  15          2HG1      ILE  15   8.938  -3.000   5.714
  124   2HG1  ILE  15          1HG1      ILE  15   8.709  -3.320   3.996
  125   1HG2  ILE  15          1HG2      ILE  15   7.131  -3.697   7.269
  126   2HG2  ILE  15          3HG2      ILE  15   6.703  -2.047   6.819
  127   3HG2  ILE  15          2HG2      ILE  15   5.483  -3.319   6.768
  128   1HD1  ILE  15          1HD1      ILE  15   7.320  -1.128   3.992
  129   2HD1  ILE  15          3HD1      ILE  15   8.112  -0.802   5.532
  130   3HD1  ILE  15          2HD1      ILE  15   9.077  -0.996   4.070
  131    H    LYS  16           H        LYS  16   4.548  -4.274   4.132
  132    HA   LYS  16           HA       LYS  16   3.195  -6.633   5.210
  133   1HB   LYS  16          2HB       LYS  16   3.543  -4.920   7.145
  134   2HB   LYS  16          1HB       LYS  16   2.284  -3.988   6.334
  135   1HG   LYS  16          2HG       LYS  16   1.419  -6.709   6.443
  136   2HG   LYS  16          1HG       LYS  16   1.974  -6.253   8.055
  137   1HD   LYS  16          2HD       LYS  16   0.561  -4.193   7.905
  138   2HD   LYS  16          1HD       LYS  16  -0.066  -4.779   6.364
  139   1HE   LYS  16          2HE       LYS  16  -1.268  -6.498   7.347
  140   2HE   LYS  16          1HE       LYS  16  -0.175  -6.615   8.727
  141   1HZ   LYS  16          3HZ       LYS  16  -1.038  -4.499   9.532
  142   2HZ   LYS  16          2HZ       LYS  16  -2.106  -4.415   8.214
  143   3HZ   LYS  16          1HZ       LYS  16  -2.280  -5.644   9.374
  144    H    ALA  17           H        ALA  17   1.960  -7.077   3.453
  145    HA   ALA  17           HA       ALA  17   0.795  -4.880   1.849
  146   1HB   ALA  17          2HB       ALA  17   1.838  -7.063   0.900
  147   2HB   ALA  17          1HB       ALA  17   0.333  -7.830   1.398
  148   3HB   ALA  17          3HB       ALA  17   0.305  -6.524   0.215
  149    H    ILE  18           H        ILE  18  -0.906  -3.995   2.837
  150    HA   ILE  18           HA       ILE  18  -2.802  -5.530   4.442
  151    HB   ILE  18           HB       ILE  18  -2.504  -2.665   3.574
  152   1HG1  ILE  18          2HG1      ILE  18  -2.939  -2.993   6.362
  153   2HG1  ILE  18          1HG1      ILE  18  -1.817  -4.261   5.870
  154   1HG2  ILE  18          1HG2      ILE  18  -4.914  -3.987   4.824
  155   2HG2  ILE  18          3HG2      ILE  18  -4.554  -2.286   5.118
  156   3HG2  ILE  18          2HG2      ILE  18  -4.860  -2.850   3.476
  157   1HD1  ILE  18          2HD1      ILE  18  -0.551  -2.402   4.606
  158   2HD1  ILE  18          1HD1      ILE  18  -1.515  -1.271   5.556
  159   3HD1  ILE  18          3HD1      ILE  18  -0.427  -2.401   6.364
  160    H    ASP  19           H        ASP  19  -3.186  -3.497   1.508
  161    HA   ASP  19           HA       ASP  19  -4.968  -5.496   0.294
  162   1HB   ASP  19          2HB       ASP  19  -6.050  -3.410   1.860
  163   2HB   ASP  19          1HB       ASP  19  -6.298  -2.919   0.186
  164    H    GLY  20           H        GLY  20  -6.051  -3.636  -1.643
  165   1HA   GLY  20          2HA       GLY  20  -3.943  -3.534  -3.557
  166   2HA   GLY  20          1HA       GLY  20  -5.468  -2.658  -3.696
  167    H    ASP  21           H        ASP  21  -5.599  -0.521  -2.783
  168    HA   ASP  21           HA       ASP  21  -3.436   1.228  -3.149
  169   1HB   ASP  21          2HB       ASP  21  -5.978   1.465  -1.605
  170   2HB   ASP  21          1HB       ASP  21  -4.714   2.628  -1.267
  171    H    THR  22           H        THR  22  -4.343  -0.670  -0.330
  172    HA   THR  22           HA       THR  22  -2.369   0.679   1.298
  173    HB   THR  22           HB       THR  22  -3.717  -1.822   2.195
  174    HG1  THR  22           HG1      THR  22  -4.889   0.757   2.048
  175   1HG2  THR  22          2HG2      THR  22  -2.027  -0.606   3.583
  176   2HG2  THR  22          1HG2      THR  22  -3.098   0.794   3.578
  177   3HG2  THR  22          3HG2      THR  22  -3.614  -0.707   4.344
  178    H    VAL  23           H        VAL  23  -0.402   0.154   0.152
  179    HA   VAL  23           HA       VAL  23   0.604  -2.578   0.761
  180    HB   VAL  23           HB       VAL  23   1.911  -2.552  -1.381
  181   1HG1  VAL  23          1HG1      VAL  23  -1.107  -2.586  -1.414
  182   2HG1  VAL  23          3HG1      VAL  23  -0.156  -3.009  -2.836
  183   3HG1  VAL  23          2HG1      VAL  23   0.000  -3.957  -1.358
  184   1HG2  VAL  23          1HG2      VAL  23   0.038  -0.260  -2.043
  185   2HG2  VAL  23          3HG2      VAL  23   1.783  -0.140  -1.830
  186   3HG2  VAL  23          2HG2      VAL  23   1.126  -1.057  -3.181
  187    H    LYS  24           H        LYS  24   2.225  -2.295   2.202
  188    HA   LYS  24           HA       LYS  24   3.689   0.281   2.110
  189   1HB   LYS  24          2HB       LYS  24   2.617  -1.257   4.204
  190   2HB   LYS  24          1HB       LYS  24   4.369  -1.402   4.364
  191   1HG   LYS  24          2HG       LYS  24   4.651   0.966   4.461
  192   2HG   LYS  24          1HG       LYS  24   2.990   1.253   3.945
  193   1HD   LYS  24          2HD       LYS  24   2.449   1.382   6.132
  194   2HD   LYS  24          1HD       LYS  24   2.717  -0.359   6.204
  195   1HE   LYS  24          2HE       LYS  24   5.175   0.153   6.613
  196   2HE   LYS  24          1HE       LYS  24   4.704   1.839   6.821
  197   1HZ   LYS  24          1HZ       LYS  24   3.172   1.132   8.575
  198   2HZ   LYS  24          3HZ       LYS  24   3.702  -0.469   8.400
  199   3HZ   LYS  24          2HZ       LYS  24   4.781   0.727   8.942
  200    H    LEU  25           H        LEU  25   5.824   0.428   1.726
  201    HA   LEU  25           HA       LEU  25   7.643  -1.792   2.037
  202   1HB   LEU  25          2HB       LEU  25   8.321  -2.137  -0.240
  203   2HB   LEU  25          1HB       LEU  25   6.577  -2.322  -0.190
  204    HG   LEU  25           HG       LEU  25   7.090  -1.050  -2.150
  205   1HD1  LEU  25          3HD1      LEU  25   5.236  -0.217  -0.543
  206   2HD1  LEU  25          2HD1      LEU  25   6.333   1.127  -0.226
  207   3HD1  LEU  25          1HD1      LEU  25   5.749   0.833  -1.862
  208   1HD2  LEU  25          3HD2      LEU  25   9.276  -0.115  -0.647
  209   2HD2  LEU  25          2HD2      LEU  25   8.887   0.280  -2.320
  210   3HD2  LEU  25          1HD2      LEU  25   8.308   1.312  -1.013
  211    H    MET  26           H        MET  26   9.852  -1.096   1.939
  212    HA   MET  26           HA       MET  26  10.136   1.795   2.408
  213   1HB   MET  26          2HB       MET  26  11.268  -0.193   3.711
  214   2HB   MET  26          1HB       MET  26  12.452  -0.123   2.406
  215   1HG   MET  26          2HG       MET  26  13.028   2.133   2.913
  216   2HG   MET  26          1HG       MET  26  11.620   2.337   3.954
  217   1HE   MET  26          2HE       MET  26  12.617   3.219   5.843
  218   2HE   MET  26          1HE       MET  26  11.659   1.910   6.528
  219   3HE   MET  26          3HE       MET  26  13.285   2.235   7.143
  220    H    TYR  27           H        TYR  27  10.115   2.922   0.496
  221    HA   TYR  27           HA       TYR  27  11.928   2.005  -1.690
  222   1HB   TYR  27          2HB       TYR  27  10.561   3.110  -3.236
  223   2HB   TYR  27          1HB       TYR  27   9.396   2.497  -2.071
  224    HD1  TYR  27           HD2      TYR  27   8.699   4.111  -0.135
  225    HD2  TYR  27           HD1      TYR  27  10.629   5.394  -3.755
  226    HE1  TYR  27           HE2      TYR  27   7.873   6.418   0.238
  227    HE2  TYR  27           HE1      TYR  27   9.800   7.699  -3.381
  228    HH   TYR  27           HH       TYR  27   7.467   8.573  -1.776
  229    H    LYS  28           H        LYS  28  11.305   4.637   0.554
  230    HA   LYS  28           HA       LYS  28  13.911   5.813  -0.182
  231   1HB   LYS  28          2HB       LYS  28  11.475   6.953  -1.023
  232   2HB   LYS  28          1HB       LYS  28  11.998   7.930   0.347
  233   1HG   LYS  28          2HG       LYS  28  13.422   8.977  -1.048
  234   2HG   LYS  28          1HG       LYS  28  14.332   7.470  -1.145
  235   1HD   LYS  28          2HD       LYS  28  12.883   6.731  -3.019
  236   2HD   LYS  28          1HD       LYS  28  12.023   8.269  -2.942
  237   1HE   LYS  28          2HE       LYS  28  13.565   9.105  -4.356
  238   2HE   LYS  28          1HE       LYS  28  14.737   8.971  -3.046
  239   1HZ   LYS  28          2HZ       LYS  28  15.184   6.687  -3.753
  240   2HZ   LYS  28          1HZ       LYS  28  14.102   6.872  -5.050
  241   3HZ   LYS  28          3HZ       LYS  28  15.518   7.803  -4.990
  242    H    GLY  29           H        GLY  29  13.354   4.244   2.039
  243   1HA   GLY  29          2HA       GLY  29  13.687   4.253   4.361
  244   2HA   GLY  29          1HA       GLY  29  14.162   5.945   4.211
  245    H    GLN  30           H        GLN  30  11.049   5.100   2.939
  246    HA   GLN  30           HA       GLN  30   9.690   5.926   5.439
  247   1HB   GLN  30          2HB       GLN  30   8.237   7.494   4.062
  248   2HB   GLN  30          1HB       GLN  30   9.896   8.029   4.310
  249   1HG   GLN  30          2HG       GLN  30  10.318   6.737   2.034
  250   2HG   GLN  30          1HG       GLN  30   8.590   7.001   1.816
  251   1HE2  GLN  30          2HE2      GLN  30   9.005  10.388   0.954
  252   2HE2  GLN  30          1HE2      GLN  30   7.988   9.029   0.999
  253    HA   PRO  31           HA       PRO  31   7.617   2.286   3.611
  254   1HB   PRO  31          2HB       PRO  31   6.626   1.704   6.230
  255   2HB   PRO  31          1HB       PRO  31   7.919   0.874   5.360
  256   1HG   PRO  31          2HG       PRO  31   8.163   2.641   7.639
  257   2HG   PRO  31          1HG       PRO  31   9.443   1.750   6.805
  258   1HD   PRO  31          2HD       PRO  31   8.913   4.578   6.704
  259   2HD   PRO  31          1HD       PRO  31  10.187   3.678   5.856
  260    H    MET  32           H        MET  32   5.612   2.629   2.696
  261    HA   MET  32           HA       MET  32   3.361   3.583   4.303
  262   1HB   MET  32          2HB       MET  32   2.907   5.576   2.921
  263   2HB   MET  32          1HB       MET  32   4.463   5.714   3.738
  264   1HG   MET  32          2HG       MET  32   5.479   4.714   1.588
  265   2HG   MET  32          1HG       MET  32   3.926   5.078   0.835
  266   1HE   MET  32          3HE       MET  32   2.850   7.093   0.625
  267   2HE   MET  32          2HE       MET  32   2.993   7.910   2.180
  268   3HE   MET  32          1HE       MET  32   3.525   8.726   0.714
  269    H    THR  33           H        THR  33   1.317   3.611   3.011
  270    HA   THR  33           HA       THR  33   1.049   1.338   1.334
  271    HB   THR  33           HB       THR  33  -1.219   2.009   0.983
  272    HG1  THR  33           HG1      THR  33  -1.805   4.014   0.832
  273   1HG2  THR  33          2HG2      THR  33  -0.480   1.492   3.375
  274   2HG2  THR  33          1HG2      THR  33  -0.566   3.230   3.661
  275   3HG2  THR  33          3HG2      THR  33  -2.015   2.341   3.192
  276    H    PHE  34           H        PHE  34   0.897   1.275  -0.986
  277    HA   PHE  34           HA       PHE  34   2.158   3.684  -2.214
  278   1HB   PHE  34          2HB       PHE  34   3.003   1.039  -1.825
  279   2HB   PHE  34          1HB       PHE  34   2.783   1.248  -3.558
  280    HD1  PHE  34           HD1      PHE  34   4.130   3.119  -0.606
  281    HD2  PHE  34           HD2      PHE  34   4.550   2.096  -4.749
  282    HE1  PHE  34           HE1      PHE  34   6.261   4.399  -0.707
  283    HE2  PHE  34           HE2      PHE  34   6.679   3.374  -4.861
  284    HZ   PHE  34           HZ       PHE  34   7.530   4.525  -2.837
  285    H    ARG  35           H        ARG  35  -0.771   3.276  -2.438
  286    HA   ARG  35           HA       ARG  35  -0.878   3.532  -5.351
  287   1HB   ARG  35          2HB       ARG  35  -3.040   1.764  -4.930
  288   2HB   ARG  35          1HB       ARG  35  -1.613   1.496  -5.917
  289   1HG   ARG  35          2HG       ARG  35  -0.872   1.038  -3.197
  290   2HG   ARG  35          1HG       ARG  35  -2.369   0.182  -3.504
  291   1HD   ARG  35          2HD       ARG  35  -0.356  -1.172  -4.023
  292   2HD   ARG  35          1HD       ARG  35  -1.415  -0.932  -5.423
  293    HE   ARG  35           HE       ARG  35   0.289   1.112  -5.773
  294   1HH1  ARG  35          2HH1      ARG  35   0.366  -2.230  -6.085
  295   2HH1  ARG  35          1HH1      ARG  35   2.071  -2.339  -6.327
  296   1HH2  ARG  35          1HH2      ARG  35   2.634   1.028  -5.589
  297   2HH2  ARG  35          2HH2      ARG  35   3.367  -0.451  -6.083
  298    H    LEU  36           H        LEU  36  -2.890   4.359  -6.136
  299    HA   LEU  36           HA       LEU  36  -4.697   5.466  -4.025
  300   1HB   LEU  36          2HB       LEU  36  -2.920   6.975  -5.511
  301   2HB   LEU  36          1HB       LEU  36  -4.412   7.123  -6.438
  302    HG   LEU  36           HG       LEU  36  -4.236   8.907  -4.735
  303   1HD1  LEU  36          3HD1      LEU  36  -6.459   7.818  -5.392
  304   2HD1  LEU  36          2HD1      LEU  36  -6.364   6.943  -3.863
  305   3HD1  LEU  36          1HD1      LEU  36  -6.444   8.706  -3.868
  306   1HD2  LEU  36          1HD2      LEU  36  -3.041   7.039  -3.166
  307   2HD2  LEU  36          3HD2      LEU  36  -3.760   8.519  -2.533
  308   3HD2  LEU  36          2HD2      LEU  36  -4.672   7.010  -2.495
  309    H    LEU  37           H        LEU  37  -4.336   4.312  -7.364
  310    HA   LEU  37           HA       LEU  37  -7.236   4.553  -7.857
  311   1HB   LEU  37          2HB       LEU  37  -6.699   3.760 -10.123
  312   2HB   LEU  37          1HB       LEU  37  -5.662   5.111  -9.672
  313    HG   LEU  37           HG       LEU  37  -4.510   2.542  -8.888
  314   1HD1  LEU  37          1HD1      LEU  37  -5.112   3.059 -11.814
  315   2HD1  LEU  37          3HD1      LEU  37  -3.945   1.871 -11.237
  316   3HD1  LEU  37          2HD1      LEU  37  -5.655   1.684 -10.853
  317   1HD2  LEU  37          3HD2      LEU  37  -3.439   4.875  -9.116
  318   2HD2  LEU  37          2HD2      LEU  37  -2.533   3.519  -9.785
  319   3HD2  LEU  37          1HD2      LEU  37  -3.449   4.580 -10.854
  320    H    LEU  38           H        LEU  38  -5.022   2.132  -6.729
  321    HA   LEU  38           HA       LEU  38  -6.427  -0.204  -7.650
  322   1HB   LEU  38          2HB       LEU  38  -4.031   0.151  -6.482
  323   2HB   LEU  38          1HB       LEU  38  -4.950  -0.299  -5.052
  324    HG   LEU  38           HG       LEU  38  -4.003  -2.309  -6.028
  325   1HD1  LEU  38          3HD1      LEU  38  -6.472  -2.206  -5.202
  326   2HD1  LEU  38          2HD1      LEU  38  -6.882  -2.371  -6.909
  327   3HD1  LEU  38          1HD1      LEU  38  -5.942  -3.627  -6.103
  328   1HD2  LEU  38          1HD2      LEU  38  -5.380  -1.383  -8.569
  329   2HD2  LEU  38          3HD2      LEU  38  -3.644  -1.549  -8.306
  330   3HD2  LEU  38          2HD2      LEU  38  -4.668  -2.982  -8.355
  331    H    VAL  39           H        VAL  39  -6.210   0.492  -4.158
  332    HA   VAL  39           HA       VAL  39  -8.989  -0.433  -3.843
  333    HB   VAL  39           HB       VAL  39  -6.795   0.238  -1.840
  334   1HG1  VAL  39          3HG1      VAL  39  -9.771   0.268  -1.420
  335   2HG1  VAL  39          2HG1      VAL  39  -8.751  -0.461  -0.180
  336   3HG1  VAL  39          1HG1      VAL  39  -8.516   1.227  -0.633
  337   1HG2  VAL  39          3HG2      VAL  39  -7.142  -2.046  -2.939
  338   2HG2  VAL  39          2HG2      VAL  39  -7.154  -2.034  -1.176
  339   3HG2  VAL  39          1HG2      VAL  39  -8.672  -2.135  -2.067
  340    H    ASP  40           H        ASP  40 -10.097   1.223  -4.959
  341    HA   ASP  40           HA       ASP  40 -10.752   3.560  -3.315
  342   1HB   ASP  40          2HB       ASP  40  -8.728   3.790  -5.300
  343   2HB   ASP  40          1HB       ASP  40 -10.157   4.597  -5.942
  344    H    THR  41           H        THR  41 -12.157   1.221  -4.429
  345    HA   THR  41           HA       THR  41 -13.797   2.197  -6.637
  346    HB   THR  41           HB       THR  41 -13.630  -0.328  -5.029
  347    HG1  THR  41           HG1      THR  41 -12.444  -0.325  -6.846
  348   1HG2  THR  41          2HG2      THR  41 -16.007   0.611  -6.630
  349   2HG2  THR  41          1HG2      THR  41 -15.648  -1.104  -6.425
  350   3HG2  THR  41          3HG2      THR  41 -15.985  -0.099  -5.015
  351    HA   PRO  42           HA       PRO  42 -17.191   2.197  -3.159
  352   1HB   PRO  42          2HB       PRO  42 -15.918   2.421  -0.599
  353   2HB   PRO  42          1HB       PRO  42 -16.907   1.085  -1.203
  354   1HG   PRO  42          2HG       PRO  42 -14.042   1.137  -0.804
  355   2HG   PRO  42          1HG       PRO  42 -15.045  -0.215  -1.344
  356   1HD   PRO  42          2HD       PRO  42 -13.228   1.358  -2.916
  357   2HD   PRO  42          1HD       PRO  42 -14.264   0.026  -3.463
  358    H    GLU  43           H        GLU  43 -17.286   4.321  -4.110
  359    HA   GLU  43           HA       GLU  43 -16.532   6.504  -2.257
  360   1HB   GLU  43          2HB       GLU  43 -15.612   6.349  -5.144
  361   2HB   GLU  43          1HB       GLU  43 -15.572   7.828  -4.185
  362   1HG   GLU  43          2HG       GLU  43 -14.203   6.503  -2.470
  363   2HG   GLU  43          1HG       GLU  43 -14.030   5.268  -3.718
  364    H    THR  44           H        THR  44 -19.070   5.291  -3.137
  365    HA   THR  44           HA       THR  44 -20.396   7.775  -4.071
  366    HB   THR  44           HB       THR  44 -21.743   6.463  -5.741
  367    HG1  THR  44           HG1      THR  44 -21.526   4.394  -5.258
  368   1HG2  THR  44          3HG2      THR  44 -19.687   7.814  -6.342
  369   2HG2  THR  44          2HG2      THR  44 -18.774   6.306  -6.300
  370   3HG2  THR  44          1HG2      THR  44 -20.077   6.515  -7.469
  371    H    LYS  45           H        LYS  45 -22.951   7.116  -4.194
  372    HA   LYS  45           HA       LYS  45 -23.630   6.285  -1.469
  373   1HB   LYS  45          2HB       LYS  45 -25.118   7.380  -3.830
  374   2HB   LYS  45          1HB       LYS  45 -26.036   6.538  -2.582
  375   1HG   LYS  45          2HG       LYS  45 -24.205   8.273  -1.258
  376   2HG   LYS  45          1HG       LYS  45 -24.995   9.210  -2.526
  377   1HD   LYS  45          2HD       LYS  45 -26.456   9.424  -0.683
  378   2HD   LYS  45          1HD       LYS  45 -27.195   8.153  -1.658
  379   1HE   LYS  45          2HE       LYS  45 -25.390   6.788  -0.021
  380   2HE   LYS  45          1HE       LYS  45 -26.099   8.005   1.040
  381   1HZ   LYS  45          1HZ       LYS  45 -27.623   6.109  -0.666
  382   2HZ   LYS  45          3HZ       LYS  45 -27.404   5.966   1.010
  383   3HZ   LYS  45          2HZ       LYS  45 -28.294   7.268   0.380
  384    H    HIS  46           H        HIS  46 -24.222   5.057  -4.767
  385    HA   HIS  46           HA       HIS  46 -24.680   2.350  -3.584
  386   1HB   HIS  46          2HB       HIS  46 -26.169   3.624  -5.908
  387   2HB   HIS  46          1HB       HIS  46 -26.336   1.942  -5.409
  388    HD1  HIS  46           HD1      HIS  46 -27.794   1.448  -3.375
  389    HD2  HIS  46           HD2      HIS  46 -27.198   5.532  -3.970
  390    HE1  HIS  46           HE1      HIS  46 -29.364   2.641  -1.786
  391    HA   PRO  47           HA       PRO  47 -21.131   2.254  -6.508
  392   1HB   PRO  47          2HB       PRO  47 -19.970   0.184  -4.933
  393   2HB   PRO  47          1HB       PRO  47 -19.500   1.888  -4.972
  394   1HG   PRO  47          2HG       PRO  47 -20.868   0.458  -2.851
  395   2HG   PRO  47          1HG       PRO  47 -20.302   2.133  -2.854
  396   1HD   PRO  47          2HD       PRO  47 -23.017   1.182  -3.078
  397   2HD   PRO  47          1HD       PRO  47 -22.445   2.862  -3.061
  398    H    LYS  48           H        LYS  48 -23.338   1.142  -7.511
  399    HA   LYS  48           HA       LYS  48 -24.277  -0.673  -8.655
  400   1HB   LYS  48          2HB       LYS  48 -21.304  -1.176  -8.871
  401   2HB   LYS  48          1HB       LYS  48 -22.489  -2.173  -9.715
  402   1HG   LYS  48          2HG       LYS  48 -23.439   0.159 -10.508
  403   2HG   LYS  48          1HG       LYS  48 -21.810   0.719 -10.132
  404   1HD   LYS  48          2HD       LYS  48 -20.825  -0.837 -11.672
  405   2HD   LYS  48          1HD       LYS  48 -22.355  -1.687 -11.885
  406   1HE   LYS  48          2HE       LYS  48 -23.294   0.528 -12.767
  407   2HE   LYS  48          1HE       LYS  48 -21.622   1.084 -12.843
  408   1HZ   LYS  48          1HZ       LYS  48 -21.103  -0.812 -14.260
  409   2HZ   LYS  48          3HZ       LYS  48 -22.721  -1.319 -14.203
  410   3HZ   LYS  48          2HZ       LYS  48 -22.318   0.153 -14.950
  411    H    LYS  49           H        LYS  49 -24.099  -1.021  -5.752
  412    HA   LYS  49           HA       LYS  49 -24.298  -2.691  -4.119
  413   1HB   LYS  49          2HB       LYS  49 -26.102  -3.255  -5.893
  414   2HB   LYS  49          1HB       LYS  49 -25.016  -4.553  -6.388
  415   1HG   LYS  49          2HG       LYS  49 -26.344  -5.636  -4.802
  416   2HG   LYS  49          1HG       LYS  49 -24.972  -5.119  -3.821
  417   1HD   LYS  49          2HD       LYS  49 -26.427  -2.929  -3.508
  418   2HD   LYS  49          1HD       LYS  49 -27.757  -4.013  -3.915
  419   1HE   LYS  49          2HE       LYS  49 -27.321  -5.428  -2.063
  420   2HE   LYS  49          1HE       LYS  49 -25.717  -4.739  -1.810
  421   1HZ   LYS  49          1HZ       LYS  49 -26.755  -2.643  -1.195
  422   2HZ   LYS  49          3HZ       LYS  49 -28.296  -3.313  -1.429
  423   3HZ   LYS  49          2HZ       LYS  49 -27.294  -3.903  -0.190
  424    H    GLY  50           H        GLY  50 -21.718  -2.423  -4.448
  425   1HA   GLY  50          2HA       GLY  50 -20.459  -4.799  -3.762
  426   2HA   GLY  50          1HA       GLY  50 -20.349  -4.758  -5.521
  427    H    VAL  51           H        VAL  51 -18.416  -4.276  -3.081
  428    HA   VAL  51           HA       VAL  51 -17.051  -1.940  -4.337
  429    HB   VAL  51           HB       VAL  51 -16.365  -1.197  -2.054
  430   1HG1  VAL  51          3HG1      VAL  51 -18.365  -0.242  -3.199
  431   2HG1  VAL  51          2HG1      VAL  51 -19.368  -1.436  -2.375
  432   3HG1  VAL  51          1HG1      VAL  51 -18.506  -0.213  -1.442
  433   1HG2  VAL  51          3HG2      VAL  51 -16.653  -3.450  -0.978
  434   2HG2  VAL  51          2HG2      VAL  51 -17.441  -2.148  -0.089
  435   3HG2  VAL  51          1HG2      VAL  51 -18.400  -3.234  -1.093
  436    H    GLU  52           H        GLU  52 -14.798  -2.034  -2.576
  437    HA   GLU  52           HA       GLU  52 -13.343  -4.271  -3.746
  438   1HB   GLU  52          2HB       GLU  52 -12.672  -1.769  -2.603
  439   2HB   GLU  52          1HB       GLU  52 -11.912  -2.989  -1.583
  440   1HG   GLU  52          2HG       GLU  52 -10.282  -2.728  -3.220
  441   2HG   GLU  52          1HG       GLU  52 -11.223  -4.053  -3.906
  442    H    LYS  53           H        LYS  53 -13.276  -6.285  -2.890
  443    HA   LYS  53           HA       LYS  53 -13.994  -6.633  -0.012
  444   1HB   LYS  53          2HB       LYS  53 -14.249  -8.378  -2.449
  445   2HB   LYS  53          1HB       LYS  53 -14.175  -9.121  -0.850
  446   1HG   LYS  53          2HG       LYS  53 -16.063  -7.680  -0.118
  447   2HG   LYS  53          1HG       LYS  53 -16.163  -7.014  -1.748
  448   1HD   LYS  53          2HD       LYS  53 -16.934  -9.020  -2.665
  449   2HD   LYS  53          1HD       LYS  53 -16.267  -9.991  -1.353
  450   1HE   LYS  53          2HE       LYS  53 -18.535 -10.005  -0.815
  451   2HE   LYS  53          1HE       LYS  53 -17.964  -8.631   0.132
  452   1HZ   LYS  53          3HZ       LYS  53 -19.164  -8.461  -2.581
  453   2HZ   LYS  53          2HZ       LYS  53 -19.972  -8.109  -1.128
  454   3HZ   LYS  53          1HZ       LYS  53 -18.662  -7.151  -1.628
  455    H    TYR  54           H        TYR  54 -11.795  -5.988   0.596
  456    HA   TYR  54           HA       TYR  54  -9.474  -6.308   0.899
  457   1HB   TYR  54          2HB       TYR  54  -9.092  -8.578   2.046
  458   2HB   TYR  54          1HB       TYR  54 -10.275  -7.501   2.780
  459    HD1  TYR  54           HD1      TYR  54 -12.682  -7.971   2.631
  460    HD2  TYR  54           HD2      TYR  54  -9.779 -10.626   0.900
  461    HE1  TYR  54           HE1      TYR  54 -14.417  -9.728   2.411
  462    HE2  TYR  54           HE2      TYR  54 -11.517 -12.379   0.677
  463    HH   TYR  54           HH       TYR  54 -14.005 -12.702   2.186
  464    H    GLY  55           H        GLY  55  -9.749  -6.466  -1.772
  465   1HA   GLY  55          2HA       GLY  55  -8.381  -7.196  -3.571
  466   2HA   GLY  55          1HA       GLY  55  -7.713  -8.446  -2.519
  467    HA   PRO  56           HA       PRO  56 -12.113  -9.876  -4.194
  468   1HB   PRO  56          2HB       PRO  56 -12.286  -8.642  -6.796
  469   2HB   PRO  56          1HB       PRO  56 -13.392  -8.470  -5.427
  470   1HG   PRO  56          2HG       PRO  56 -11.518  -6.524  -6.424
  471   2HG   PRO  56          1HG       PRO  56 -12.612  -6.365  -5.044
  472   1HD   PRO  56          2HD       PRO  56  -9.752  -6.685  -4.995
  473   2HD   PRO  56          1HD       PRO  56 -10.853  -6.535  -3.614
  474    H    GLU  57           H        GLU  57 -10.289  -8.996  -7.157
  475    HA   GLU  57           HA       GLU  57  -9.139 -11.708  -7.314
  476   1HB   GLU  57          2HB       GLU  57 -10.024 -11.703  -9.825
  477   2HB   GLU  57          1HB       GLU  57 -11.004 -12.359  -8.518
  478   1HG   GLU  57          2HG       GLU  57 -11.465  -9.518  -8.707
  479   2HG   GLU  57          1HG       GLU  57 -11.679 -10.251 -10.294
  480    H    ALA  58           H        ALA  58  -9.695  -9.024  -9.650
  481    HA   ALA  58           HA       ALA  58  -7.037  -9.134 -10.716
  482   1HB   ALA  58          1HB       ALA  58  -9.004  -6.819 -10.676
  483   2HB   ALA  58          3HB       ALA  58  -7.566  -6.915 -11.693
  484   3HB   ALA  58          2HB       ALA  58  -8.891  -8.053 -11.930
  485    H    SER  59           H        SER  59  -8.533  -7.060  -8.229
  486    HA   SER  59           HA       SER  59  -6.108  -5.585  -7.642
  487   1HB   SER  59          2HB       SER  59  -8.679  -6.001  -6.095
  488   2HB   SER  59          1HB       SER  59  -7.375  -4.962  -5.531
  489    HG   SER  59           HG       SER  59  -9.192  -4.615  -7.593
  490    H    ALA  60           H        ALA  60  -7.596  -8.559  -6.420
  491    HA   ALA  60           HA       ALA  60  -5.957  -8.917  -4.100
  492   1HB   ALA  60          3HB       ALA  60  -8.035 -10.306  -5.278
  493   2HB   ALA  60          2HB       ALA  60  -6.667 -11.392  -5.518
  494   3HB   ALA  60          1HB       ALA  60  -7.099 -10.866  -3.892
  495    H    PHE  61           H        PHE  61  -5.489  -9.906  -7.500
  496    HA   PHE  61           HA       PHE  61  -3.050 -11.373  -7.045
  497   1HB   PHE  61          2HB       PHE  61  -4.019  -9.989  -9.569
  498   2HB   PHE  61          1HB       PHE  61  -2.727 -11.184  -9.490
  499    HD1  PHE  61           HD2      PHE  61  -3.984 -13.022  -7.400
  500    HD2  PHE  61           HD1      PHE  61  -5.596 -11.167 -10.926
  501    HE1  PHE  61           HE2      PHE  61  -5.664 -14.836  -7.588
  502    HE2  PHE  61           HE1      PHE  61  -7.273 -12.984 -11.112
  503    HZ   PHE  61           HZ       PHE  61  -7.308 -14.817  -9.443
  504    H    THR  62           H        THR  62  -3.753  -7.965  -7.515
  505    HA   THR  62           HA       THR  62  -0.941  -7.228  -7.933
  506    HB   THR  62           HB       THR  62  -3.386  -5.514  -7.360
  507    HG1  THR  62           HG1      THR  62  -3.680  -6.213  -9.349
  508   1HG2  THR  62          1HG2      THR  62  -0.503  -4.871  -7.889
  509   2HG2  THR  62          3HG2      THR  62  -1.760  -3.769  -8.453
  510   3HG2  THR  62          2HG2      THR  62  -1.614  -4.135  -6.734
  511    H    LYS  63           H        LYS  63  -3.244  -7.431  -5.281
  512    HA   LYS  63           HA       LYS  63  -1.511  -6.079  -3.357
  513   1HB   LYS  63          2HB       LYS  63  -3.923  -5.961  -3.064
  514   2HB   LYS  63          1HB       LYS  63  -4.042  -7.719  -3.033
  515   1HG   LYS  63          2HG       LYS  63  -2.128  -6.690  -1.069
  516   2HG   LYS  63          1HG       LYS  63  -3.758  -6.078  -0.814
  517   1HD   LYS  63          2HD       LYS  63  -3.366  -8.999  -1.368
  518   2HD   LYS  63          1HD       LYS  63  -3.056  -8.377   0.253
  519   1HE   LYS  63          2HE       LYS  63  -5.262  -8.214   0.688
  520   2HE   LYS  63          1HE       LYS  63  -5.541  -7.308  -0.799
  521   1HZ   LYS  63          3HZ       LYS  63  -5.285 -10.262  -0.615
  522   2HZ   LYS  63          2HZ       LYS  63  -6.748  -9.413  -0.768
  523   3HZ   LYS  63          1HZ       LYS  63  -5.605  -9.375  -2.024
  524    H    LYS  64           H        LYS  64  -1.840  -9.343  -4.565
  525    HA   LYS  64           HA       LYS  64  -0.664 -10.585  -2.211
  526   1HB   LYS  64          2HB       LYS  64  -0.867 -12.633  -3.413
  527   2HB   LYS  64          1HB       LYS  64  -2.286 -11.690  -3.865
  528   1HG   LYS  64          2HG       LYS  64  -1.513 -12.433  -5.938
  529   2HG   LYS  64          1HG       LYS  64  -0.773 -10.841  -5.810
  530   1HD   LYS  64          2HD       LYS  64   1.229 -11.776  -6.043
  531   2HD   LYS  64          1HD       LYS  64   0.972 -12.628  -4.522
  532   1HE   LYS  64          2HE       LYS  64  -0.221 -14.430  -5.782
  533   2HE   LYS  64          1HE       LYS  64   0.185 -13.602  -7.285
  534   1HZ   LYS  64          2HZ       LYS  64   2.539 -13.797  -6.682
  535   2HZ   LYS  64          1HZ       LYS  64   2.108 -14.675  -5.292
  536   3HZ   LYS  64          3HZ       LYS  64   1.792 -15.317  -6.830
  537    H    MET  65           H        MET  65   0.447  -9.311  -5.322
  538    HA   MET  65           HA       MET  65   3.046 -10.471  -5.346
  539   1HB   MET  65          2HB       MET  65   3.603  -8.893  -6.994
  540   2HB   MET  65          1HB       MET  65   1.857  -9.046  -7.165
  541   1HG   MET  65          2HG       MET  65   1.836  -7.057  -5.417
  542   2HG   MET  65          1HG       MET  65   3.462  -6.779  -6.041
  543   1HE   MET  65          1HE       MET  65   3.907  -7.134  -8.604
  544   2HE   MET  65          3HE       MET  65   2.589  -8.196  -9.117
  545   3HE   MET  65          2HE       MET  65   2.811  -6.628  -9.888
  546    H    LEU  66           H        LEU  66   1.663  -7.915  -3.441
  547    HA   LEU  66           HA       LEU  66   4.220  -6.895  -2.427
  548   1HB   LEU  66          2HB       LEU  66   1.315  -6.351  -1.992
  549   2HB   LEU  66          1HB       LEU  66   2.381  -6.015  -0.636
  550    HG   LEU  66           HG       LEU  66   1.960  -4.070  -2.203
  551   1HD1  LEU  66          1HD1      LEU  66   3.942  -4.308  -0.650
  552   2HD1  LEU  66          3HD1      LEU  66   4.864  -4.891  -2.035
  553   3HD1  LEU  66          2HD1      LEU  66   4.206  -3.255  -2.039
  554   1HD2  LEU  66          2HD2      LEU  66   2.200  -5.663  -4.248
  555   2HD2  LEU  66          1HD2      LEU  66   2.853  -4.031  -4.364
  556   3HD2  LEU  66          3HD2      LEU  66   3.931  -5.391  -4.050
  557    H    GLU  67           H        GLU  67   1.990  -9.470  -1.705
  558    HA   GLU  67           HA       GLU  67   2.843  -9.794   1.081
  559   1HB   GLU  67          2HB       GLU  67   1.038 -11.391  -0.748
  560   2HB   GLU  67          1HB       GLU  67   1.403 -11.879   0.907
  561   1HG   GLU  67          2HG       GLU  67   0.517  -9.740   1.746
  562   2HG   GLU  67          1HG       GLU  67   0.172  -9.229   0.093
  563    H    ASN  68           H        ASN  68   3.761 -11.102  -2.056
  564    HA   ASN  68           HA       ASN  68   5.533 -13.042  -0.601
  565   1HB   ASN  68          2HB       ASN  68   5.168 -14.661  -2.306
  566   2HB   ASN  68          1HB       ASN  68   3.582 -14.018  -1.888
  567   1HD2  ASN  68          2HD2      ASN  68   3.307 -12.191  -5.037
  568   2HD2  ASN  68          1HD2      ASN  68   2.922 -11.989  -3.390
  569    H    ALA  69           H        ALA  69   5.704 -10.306  -2.591
  570    HA   ALA  69           HA       ALA  69   8.021 -11.188  -4.167
  571   1HB   ALA  69          3HB       ALA  69   6.362  -9.444  -4.932
  572   2HB   ALA  69          2HB       ALA  69   7.071  -8.351  -3.744
  573   3HB   ALA  69          1HB       ALA  69   8.055  -8.980  -5.063
  574    H    LYS  70           H        LYS  70  10.160 -10.646  -3.849
  575    HA   LYS  70           HA       LYS  70  10.844  -9.560  -1.142
  576   1HB   LYS  70          2HB       LYS  70  11.786 -11.863  -2.632
  577   2HB   LYS  70          1HB       LYS  70  13.127 -10.775  -2.272
  578   1HG   LYS  70          2HG       LYS  70  11.122 -11.603  -0.166
  579   2HG   LYS  70          1HG       LYS  70  12.584 -12.534  -0.488
  580   1HD   LYS  70          2HD       LYS  70  13.856 -11.070   0.658
  581   2HD   LYS  70          1HD       LYS  70  13.202  -9.708  -0.253
  582   1HE   LYS  70          2HE       LYS  70  11.361 -10.895   1.744
  583   2HE   LYS  70          1HE       LYS  70  12.776 -10.082   2.410
  584   1HZ   LYS  70          2HZ       LYS  70  12.156  -8.215   0.790
  585   2HZ   LYS  70          1HZ       LYS  70  10.633  -8.965   0.718
  586   3HZ   LYS  70          3HZ       LYS  70  11.225  -8.394   2.200
  587    H    LYS  71           H        LYS  71  12.063  -9.696  -4.509
  588    HA   LYS  71           HA       LYS  71  13.605  -7.199  -4.109
  589   1HB   LYS  71          2HB       LYS  71  13.715  -9.404  -5.936
  590   2HB   LYS  71          1HB       LYS  71  13.418  -7.944  -6.878
  591   1HG   LYS  71          2HG       LYS  71  15.574  -8.113  -4.762
  592   2HG   LYS  71          1HG       LYS  71  15.870  -8.494  -6.458
  593   1HD   LYS  71          2HD       LYS  71  14.557  -6.084  -6.643
  594   2HD   LYS  71          1HD       LYS  71  15.494  -5.876  -5.164
  595   1HE   LYS  71          2HE       LYS  71  16.890  -7.091  -7.503
  596   2HE   LYS  71          1HE       LYS  71  16.537  -5.365  -7.579
  597   1HZ   LYS  71          1HZ       LYS  71  17.938  -6.711  -5.332
  598   2HZ   LYS  71          3HZ       LYS  71  18.706  -5.847  -6.573
  599   3HZ   LYS  71          2HZ       LYS  71  17.666  -5.043  -5.497
  600    H    ILE  72           H        ILE  72  12.538  -5.244  -4.322
  601    HA   ILE  72           HA       ILE  72  10.107  -5.217  -6.050
  602    HB   ILE  72           HB       ILE  72  10.697  -3.772  -3.481
  603   1HG1  ILE  72          2HG1      ILE  72   8.206  -5.328  -3.866
  604   2HG1  ILE  72          1HG1      ILE  72   9.694  -6.273  -3.802
  605   1HG2  ILE  72          2HG2      ILE  72   8.675  -3.255  -5.601
  606   2HG2  ILE  72          1HG2      ILE  72   8.162  -3.089  -3.921
  607   3HG2  ILE  72          3HG2      ILE  72   9.499  -2.120  -4.535
  608   1HD1  ILE  72          1HD1      ILE  72  10.258  -4.880  -1.697
  609   2HD1  ILE  72          3HD1      ILE  72   8.552  -4.431  -1.704
  610   3HD1  ILE  72          2HD1      ILE  72   9.018  -6.125  -1.542
  611    H    GLU  73           H        GLU  73  10.792  -4.244  -7.876
  612    HA   GLU  73           HA       GLU  73  12.559  -1.885  -7.742
  613   1HB   GLU  73          2HB       GLU  73  11.701  -3.805  -9.804
  614   2HB   GLU  73          1HB       GLU  73  11.688  -2.136 -10.372
  615   1HG   GLU  73          2HG       GLU  73  13.893  -2.970 -10.803
  616   2HG   GLU  73          1HG       GLU  73  14.033  -1.913  -9.398
  617    H    VAL  74           H        VAL  74  10.584  -1.140  -6.294
  618    HA   VAL  74           HA       VAL  74   8.057  -0.478  -7.131
  619    HB   VAL  74           HB       VAL  74   8.923   1.963  -6.017
  620   1HG1  VAL  74          2HG1      VAL  74   6.801   0.817  -5.625
  621   2HG1  VAL  74          1HG1      VAL  74   7.652  -0.431  -4.712
  622   3HG1  VAL  74          3HG1      VAL  74   7.603   1.224  -4.107
  623   1HG2  VAL  74          1HG2      VAL  74  10.208  -0.430  -4.679
  624   2HG2  VAL  74          3HG2      VAL  74  11.032   0.989  -5.324
  625   3HG2  VAL  74          2HG2      VAL  74   9.997   1.139  -3.906
  626    H    GLU  75           H        GLU  75   7.333   0.326  -8.953
  627    HA   GLU  75           HA       GLU  75   8.993   2.278 -10.451
  628   1HB   GLU  75          2HB       GLU  75   6.969   1.797 -12.160
  629   2HB   GLU  75          1HB       GLU  75   8.392   0.772 -12.070
  630   1HG   GLU  75          2HG       GLU  75   6.021   0.193 -10.323
  631   2HG   GLU  75          1HG       GLU  75   6.030  -0.328 -12.004
  632    H    PHE  76           H        PHE  76   8.591   4.171  -9.374
  633    HA   PHE  76           HA       PHE  76   5.769   5.103  -9.286
  634   1HB   PHE  76          2HB       PHE  76   6.669   6.657  -7.434
  635   2HB   PHE  76          1HB       PHE  76   6.471   4.957  -7.022
  636    HD1  PHE  76           HD1      PHE  76   9.016   7.423  -8.247
  637    HD2  PHE  76           HD2      PHE  76   8.294   3.704  -6.216
  638    HE1  PHE  76           HE1      PHE  76  11.420   7.276  -7.657
  639    HE2  PHE  76           HE2      PHE  76  10.698   3.559  -5.629
  640    HZ   PHE  76           HZ       PHE  76  12.260   5.345  -6.348
  641    H    ASP  77           H        ASP  77   5.757   7.597  -9.257
  642    HA   ASP  77           HA       ASP  77   7.218   8.522 -11.634
  643   1HB   ASP  77          2HB       ASP  77   5.286  10.080  -9.890
  644   2HB   ASP  77          1HB       ASP  77   5.793  10.481 -11.530
  645    H    LYS  78           H        LYS  78   9.049   9.725 -11.566
  646    HA   LYS  78           HA       LYS  78  10.381  10.277  -9.070
  647   1HB   LYS  78          2HB       LYS  78  12.085  11.382 -10.449
  648   2HB   LYS  78          1HB       LYS  78  11.604   9.856 -11.188
  649   1HG   LYS  78          2HG       LYS  78   9.933  11.226 -12.572
  650   2HG   LYS  78          1HG       LYS  78  10.803  12.654 -12.012
  651   1HD   LYS  78          2HD       LYS  78  12.606  10.567 -12.989
  652   2HD   LYS  78          1HD       LYS  78  11.472  11.110 -14.225
  653   1HE   LYS  78          2HE       LYS  78  12.995  12.778 -14.534
  654   2HE   LYS  78          1HE       LYS  78  12.193  13.500 -13.140
  655   1HZ   LYS  78          3HZ       LYS  78  14.572  11.723 -13.017
  656   2HZ   LYS  78          2HZ       LYS  78  14.604  13.415 -12.871
  657   3HZ   LYS  78          1HZ       LYS  78  13.816  12.473 -11.695
  658    H    GLY  79           H        GLY  79  10.312  12.078  -7.798
  659   1HA   GLY  79          2HA       GLY  79  10.040  14.394  -7.279
  660   2HA   GLY  79          1HA       GLY  79   9.384  14.657  -8.893
  661    H    GLN  80           H        GLN  80   7.552  12.195  -8.321
  662    HA   GLN  80           HA       GLN  80   5.343  13.761  -7.252
  663   1HB   GLN  80          2HB       GLN  80   5.001  12.222  -9.155
  664   2HB   GLN  80          1HB       GLN  80   5.489  10.861  -8.150
  665   1HG   GLN  80          2HG       GLN  80   3.411  12.395  -6.833
  666   2HG   GLN  80          1HG       GLN  80   2.889  11.902  -8.443
  667   1HE2  GLN  80          2HE2      GLN  80   2.648   9.180  -5.628
  668   2HE2  GLN  80          1HE2      GLN  80   2.521  10.859  -5.427
  669    H    ARG  81           H        ARG  81   6.010  10.362  -6.405
  670    HA   ARG  81           HA       ARG  81   6.284   9.300  -4.339
  671   1HB   ARG  81          2HB       ARG  81   6.911  12.102  -3.357
  672   2HB   ARG  81          1HB       ARG  81   7.104  10.632  -2.405
  673   1HG   ARG  81          2HG       ARG  81   8.762   9.771  -3.936
  674   2HG   ARG  81          1HG       ARG  81   8.464  11.085  -5.075
  675   1HD   ARG  81          2HD       ARG  81  10.452  11.678  -3.872
  676   2HD   ARG  81          1HD       ARG  81   9.160  12.689  -3.227
  677    HE   ARG  81           HE       ARG  81   9.170  10.456  -1.568
  678   1HH1  ARG  81          1HH2      ARG  81  12.121  10.384  -2.266
  679   2HH1  ARG  81          2HH2      ARG  81  12.799  11.358  -1.003
  680   1HH2  ARG  81          2HH1      ARG  81   9.752  12.758  -0.089
  681   2HH2  ARG  81          1HH1      ARG  81  11.453  12.707   0.232
  682    H    THR  82           H        THR  82   4.451  12.352  -4.136
  683    HA   THR  82           HA       THR  82   2.120  10.949  -3.008
  684    HB   THR  82           HB       THR  82   1.978  12.539  -1.073
  685    HG1  THR  82           HG1      THR  82   4.729  12.985  -1.600
  686   1HG2  THR  82          2HG2      THR  82   2.923  10.157  -0.974
  687   2HG2  THR  82          1HG2      THR  82   4.516  10.911  -0.928
  688   3HG2  THR  82          3HG2      THR  82   3.349  11.238   0.353
  689    H    ASP  83           H        ASP  83   0.282  11.942  -3.812
  690    HA   ASP  83           HA       ASP  83   0.300  13.908  -5.785
  691   1HB   ASP  83          2HB       ASP  83  -1.727  12.621  -5.243
  692   2HB   ASP  83          1HB       ASP  83  -1.858  13.456  -3.695
  693    H    LYS  84           H        LYS  84  -0.528  14.500  -2.392
  694    HA   LYS  84           HA       LYS  84   0.876  17.116  -2.525
  695   1HB   LYS  84          2HB       LYS  84  -1.806  17.098  -2.582
  696   2HB   LYS  84          1HB       LYS  84  -1.594  16.878  -0.844
  697   1HG   LYS  84          2HG       LYS  84   0.234  18.895  -1.565
  698   2HG   LYS  84          1HG       LYS  84  -1.251  19.280  -2.433
  699   1HD   LYS  84          2HD       LYS  84  -2.092  20.113  -0.520
  700   2HD   LYS  84          1HD       LYS  84  -2.057  18.485   0.155
  701   1HE   LYS  84          2HE       LYS  84  -0.708  19.574   1.690
  702   2HE   LYS  84          1HE       LYS  84   0.513  19.067   0.525
  703   1HZ   LYS  84          1HZ       LYS  84  -0.833  21.715   0.575
  704   2HZ   LYS  84          3HZ       LYS  84   0.748  21.402   1.101
  705   3HZ   LYS  84          2HZ       LYS  84   0.351  21.225  -0.541
  706    H    TYR  85           H        TYR  85   1.242  14.230  -1.480
  707    HA   TYR  85           HA       TYR  85   2.726  13.553   0.283
  708   1HB   TYR  85          2HB       TYR  85   2.918  15.919   1.208
  709   2HB   TYR  85          1HB       TYR  85   1.408  15.615   2.078
  710    HD1  TYR  85           HD2      TYR  85   4.596  13.746   1.377
  711    HD2  TYR  85           HD1      TYR  85   1.662  14.918   4.288
  712    HE1  TYR  85           HE2      TYR  85   5.822  12.479   3.118
  713    HE2  TYR  85           HE1      TYR  85   2.885  13.647   6.030
  714    HH   TYR  85           HH       TYR  85   4.816  11.367   5.632
  715    H    GLY  86           H        GLY  86   0.221  12.782  -0.774
  716   1HA   GLY  86          2HA       GLY  86  -1.176  11.796   1.644
  717   2HA   GLY  86          1HA       GLY  86  -1.940  12.053   0.082
  718    H    ARG  87           H        ARG  87   0.371  10.763  -1.382
  719    HA   ARG  87           HA       ARG  87   0.581   8.048  -0.398
  720   1HB   ARG  87          2HB       ARG  87  -1.897   8.690  -1.291
  721   2HB   ARG  87          1HB       ARG  87  -1.149   8.066  -2.759
  722   1HG   ARG  87          2HG       ARG  87  -2.079   6.137  -1.724
  723   2HG   ARG  87          1HG       ARG  87  -0.368   6.078  -1.303
  724   1HD   ARG  87          2HD       ARG  87  -2.229   7.534   0.535
  725   2HD   ARG  87          1HD       ARG  87  -2.245   5.775   0.557
  726    HE   ARG  87           HE       ARG  87   0.455   6.431   0.720
  727   1HH1  ARG  87          2HH1      ARG  87  -1.641   5.393   2.883
  728   2HH1  ARG  87          1HH1      ARG  87  -1.183   6.413   4.205
  729   1HH2  ARG  87          1HH2      ARG  87   0.730   8.550   2.244
  730   2HH2  ARG  87          2HH2      ARG  87   0.162   8.204   3.843
  731    H    VAL  88           H        VAL  88   1.827   6.729  -1.718
  732    HA   VAL  88           HA       VAL  88   3.198   8.064  -3.971
  733    HB   VAL  88           HB       VAL  88   3.707   5.264  -2.951
  734   1HG1  VAL  88          1HG1      VAL  88   5.094   7.285  -4.660
  735   2HG1  VAL  88          3HG1      VAL  88   6.109   6.277  -3.629
  736   3HG1  VAL  88          2HG1      VAL  88   5.040   5.530  -4.817
  737   1HG2  VAL  88          3HG2      VAL  88   4.068   7.779  -1.528
  738   2HG2  VAL  88          2HG2      VAL  88   4.335   6.133  -0.960
  739   3HG2  VAL  88          1HG2      VAL  88   5.619   6.990  -1.811
  740    H    LEU  89           H        LEU  89   1.113   8.004  -5.235
  741    HA   LEU  89           HA       LEU  89  -0.143   5.583  -6.053
  742   1HB   LEU  89          2HB       LEU  89  -0.868   6.948  -8.086
  743   2HB   LEU  89          1HB       LEU  89  -1.291   7.634  -6.520
  744    HG   LEU  89           HG       LEU  89   1.346   8.526  -7.305
  745   1HD1  LEU  89          1HD1      LEU  89   0.404   8.094  -9.598
  746   2HD1  LEU  89          3HD1      LEU  89  -0.885   9.238  -9.228
  747   3HD1  LEU  89          2HD1      LEU  89   0.789   9.788  -9.293
  748   1HD2  LEU  89          2HD2      LEU  89  -0.208   9.589  -5.659
  749   2HD2  LEU  89          1HD2      LEU  89   0.341  10.717  -6.899
  750   3HD2  LEU  89          3HD2      LEU  89  -1.277  10.022  -6.993
  751    H    ALA  90           H        ALA  90   1.449   4.052  -6.499
  752    HA   ALA  90           HA       ALA  90   2.670   4.227  -9.188
  753   1HB   ALA  90          3HB       ALA  90   4.246   3.761  -6.633
  754   2HB   ALA  90          2HB       ALA  90   4.886   3.514  -8.257
  755   3HB   ALA  90          1HB       ALA  90   4.417   5.128  -7.732
  756    H    TYR  91           H        TYR  91   4.230   1.856  -8.957
  757    HA   TYR  91           HA       TYR  91   2.359  -0.164  -7.896
  758   1HB   TYR  91          2HB       TYR  91   2.949   0.254 -10.771
  759   2HB   TYR  91          1HB       TYR  91   2.762  -1.407 -10.183
  760    HD1  TYR  91           HD1      TYR  91   0.778  -1.804  -8.504
  761    HD2  TYR  91           HD2      TYR  91   0.989   1.493 -11.251
  762    HE1  TYR  91           HE1      TYR  91  -1.656  -1.440  -8.244
  763    HE2  TYR  91           HE2      TYR  91  -1.453   1.848 -10.999
  764    HH   TYR  91           HH       TYR  91  -3.522  -0.114 -10.124
  765    H    ILE  92           H        ILE  92   3.226  -2.301  -7.744
  766    HA   ILE  92           HA       ILE  92   6.204  -2.274  -7.403
  767    HB   ILE  92           HB       ILE  92   4.298  -4.154  -5.974
  768   1HG1  ILE  92          2HG1      ILE  92   3.507  -1.977  -5.283
  769   2HG1  ILE  92          1HG1      ILE  92   4.458  -2.657  -3.976
  770   1HG2  ILE  92          2HG2      ILE  92   7.123  -3.765  -6.069
  771   2HG2  ILE  92          1HG2      ILE  92   6.560  -3.433  -4.432
  772   3HG2  ILE  92          3HG2      ILE  92   6.206  -4.985  -5.189
  773   1HD1  ILE  92          2HD1      ILE  92   5.889  -0.947  -5.956
  774   2HD1  ILE  92          1HD1      ILE  92   4.820  -0.146  -4.806
  775   3HD1  ILE  92          3HD1      ILE  92   6.158  -1.134  -4.223
  776    H    TYR  93           H        TYR  93   7.058  -3.503  -9.064
  777    HA   TYR  93           HA       TYR  93   5.519  -5.903  -9.972
  778   1HB   TYR  93          2HB       TYR  93   7.857  -4.536 -11.342
  779   2HB   TYR  93          1HB       TYR  93   6.844  -5.814 -12.010
  780    HD1  TYR  93           HD2      TYR  93   4.284  -4.494 -10.522
  781    HD2  TYR  93           HD1      TYR  93   7.266  -3.137 -13.287
  782    HE1  TYR  93           HE2      TYR  93   2.749  -2.762 -11.339
  783    HE2  TYR  93           HE1      TYR  93   5.733  -1.404 -14.110
  784    HH   TYR  93           HH       TYR  93   2.705  -1.380 -13.916
  785    H    ALA  94           H        ALA  94   6.696  -6.036  -7.557
  786    HA   ALA  94           HA       ALA  94   9.370  -7.093  -7.715
  787   1HB   ALA  94          3HB       ALA  94   8.565  -5.879  -5.725
  788   2HB   ALA  94          2HB       ALA  94   7.335  -7.112  -5.467
  789   3HB   ALA  94          1HB       ALA  94   9.041  -7.521  -5.297
  790    H    ASP  95           H        ASP  95   9.630  -9.064  -8.626
  791    HA   ASP  95           HA       ASP  95   9.285 -11.332  -9.168
  792   1HB   ASP  95          2HB       ASP  95   7.961 -11.129  -6.460
  793   2HB   ASP  95          1HB       ASP  95   8.170 -12.655  -7.314
  794    H    GLY  96           H        GLY  96   7.084  -9.187  -9.726
  795   1HA   GLY  96          2HA       GLY  96   4.914 -11.143 -10.352
  796   2HA   GLY  96          1HA       GLY  96   4.546  -9.540  -9.719
  797    H    LYS  97           H        LYS  97   5.849  -7.789 -10.996
  798    HA   LYS  97           HA       LYS  97   5.730  -6.556 -13.017
  799   1HB   LYS  97          2HB       LYS  97   7.664  -8.289 -13.342
  800   2HB   LYS  97          1HB       LYS  97   6.537  -9.085 -14.439
  801   1HG   LYS  97          2HG       LYS  97   6.328  -7.046 -15.765
  802   2HG   LYS  97          1HG       LYS  97   7.358  -6.174 -14.631
  803   1HD   LYS  97          2HD       LYS  97   8.440  -8.688 -15.830
  804   2HD   LYS  97          1HD       LYS  97   8.348  -7.261 -16.863
  805   1HE   LYS  97          2HE       LYS  97   9.574  -5.967 -15.109
  806   2HE   LYS  97          1HE       LYS  97   9.759  -7.458 -14.187
  807   1HZ   LYS  97          1HZ       LYS  97  10.922  -8.431 -16.078
  808   2HZ   LYS  97          3HZ       LYS  97  10.766  -6.978 -16.940
  809   3HZ   LYS  97          2HZ       LYS  97  11.709  -7.030 -15.528
  810    H    MET  98           H        MET  98   3.375  -8.138 -12.113
  811    HA   MET  98           HA       MET  98   2.008  -8.982 -14.578
  812   1HB   MET  98          2HB       MET  98   0.063  -9.301 -12.927
  813   2HB   MET  98          1HB       MET  98   1.473 -10.327 -12.670
  814   1HG   MET  98          2HG       MET  98   2.257  -8.950 -10.862
  815   2HG   MET  98          1HG       MET  98   1.092  -7.684 -11.236
  816   1HE   MET  98          2HE       MET  98  -1.060  -7.631 -11.085
  817   2HE   MET  98          1HE       MET  98  -1.943  -9.121 -11.411
  818   3HE   MET  98          3HE       MET  98  -2.025  -8.369  -9.811
  819    H    VAL  99           H        VAL  99   1.872  -6.450 -12.117
  820    HA   VAL  99           HA       VAL  99  -0.261  -4.967 -13.411
  821    HB   VAL  99           HB       VAL  99   1.786  -4.194 -11.294
  822   1HG1  VAL  99          2HG1      VAL  99  -0.374  -2.683 -12.687
  823   2HG1  VAL  99          1HG1      VAL  99  -0.162  -2.410 -10.959
  824   3HG1  VAL  99          3HG1      VAL  99   1.176  -2.114 -12.069
  825   1HG2  VAL  99          1HG2      VAL  99  -1.141  -4.983 -11.174
  826   2HG2  VAL  99          3HG2      VAL  99   0.223  -5.887 -10.515
  827   3HG2  VAL  99          2HG2      VAL  99  -0.231  -4.337  -9.808
  828    H    ASN 100           H        ASN 100   3.179  -5.349 -13.701
  829    HA   ASN 100           HA       ASN 100   4.013  -2.940 -14.930
  830   1HB   ASN 100          2HB       ASN 100   5.622  -4.680 -14.427
  831   2HB   ASN 100          1HB       ASN 100   4.808  -5.807 -15.507
  832   1HD2  ASN 100          2HD2      ASN 100   7.270  -2.935 -17.090
  833   2HD2  ASN 100          1HD2      ASN 100   6.772  -2.812 -15.474
  834    H    GLU 101           H        GLU 101   2.216  -5.664 -16.340
  835    HA   GLU 101           HA       GLU 101   2.352  -5.046 -19.074
  836   1HB   GLU 101          2HB       GLU 101   1.189  -7.035 -18.074
  837   2HB   GLU 101          1HB       GLU 101  -0.135  -5.971 -17.602
  838   1HG   GLU 101          2HG       GLU 101   0.577  -5.614 -20.407
  839   2HG   GLU 101          1HG       GLU 101   0.134  -7.284 -20.057
  840    H    ALA 102           H        ALA 102   0.067  -3.733 -16.649
  841    HA   ALA 102           HA       ALA 102  -1.245  -1.957 -18.517
  842   1HB   ALA 102          2HB       ALA 102  -1.097  -1.953 -15.486
  843   2HB   ALA 102          1HB       ALA 102  -2.110  -0.852 -16.420
  844   3HB   ALA 102          3HB       ALA 102  -2.405  -2.590 -16.483
  845    H    LEU 103           HN       LEU 103  -0.179  -0.313 -19.484
  846    HA   LEU 103           HA       LEU 103   1.020   1.687 -19.716
  847   1HB   LEU 103          2HB       LEU 103   0.148   1.958 -17.207
  848   2HB   LEU 103          1HB       LEU 103   1.859   1.734 -16.845
  849    HG   LEU 103           HG       LEU 103   1.082   3.657 -19.012
  850   1HD1  LEU 103          1HD1      LEU 103   1.021   4.261 -16.038
  851   2HD1  LEU 103          3HD1      LEU 103   0.888   5.457 -17.327
  852   3HD1  LEU 103          2HD1      LEU 103  -0.377   4.246 -17.115
  853   1HD2  LEU 103          1HD2      LEU 103   3.312   3.428 -16.969
  854   2HD2  LEU 103          3HD2      LEU 103   3.438   3.239 -18.719
  855   3HD2  LEU 103          2HD2      LEU 103   3.112   4.827 -18.024
   
  No H/Q in entry =         855
  Start of MODEL          10
 Raw file had  866 H/Q atoms
  Start of MODEL   10
    1   1H    ALA   1          2H        ALA   1  18.076  15.518 -23.602
    2   2H    ALA   1          1H        ALA   1  17.504  14.001 -24.114
    3   3H    ALA   1          3H        ALA   1  16.656  14.871 -22.929
    4    HA   ALA   1           HA       ALA   1  17.900  13.083 -21.909
    5   1HB   ALA   1          2HB       ALA   1  20.238  14.477 -23.245
    6   2HB   ALA   1          1HB       ALA   1  20.414  13.250 -21.991
    7   3HB   ALA   1          3HB       ALA   1  19.676  12.832 -23.537
    8    H    THR   2           H        THR   2  17.233  13.924 -19.970
    9    HA   THR   2           HA       THR   2  18.862  16.135 -18.811
   10    HB   THR   2           HB       THR   2  16.783  17.125 -17.831
   11    HG1  THR   2           HG1      THR   2  15.440  15.452 -19.683
   12   1HG2  THR   2          2HG2      THR   2  17.843  17.913 -19.999
   13   2HG2  THR   2          1HG2      THR   2  16.613  16.974 -20.847
   14   3HG2  THR   2          3HG2      THR   2  16.137  18.316 -19.806
   15    H    SER   3           H        SER   3  18.861  16.131 -16.453
   16    HA   SER   3           HA       SER   3  18.725  13.432 -15.347
   17   1HB   SER   3          2HB       SER   3  19.458  14.613 -13.218
   18   2HB   SER   3          1HB       SER   3  20.545  14.803 -14.589
   19    HG   SER   3           HG       SER   3  18.906  16.649 -13.314
   20    H    THR   4           H        THR   4  16.488  12.917 -15.432
   21    HA   THR   4           HA       THR   4  14.935  13.874 -13.146
   22    HB   THR   4           HB       THR   4  14.453  15.622 -14.845
   23    HG1  THR   4           HG1      THR   4  12.716  15.386 -13.642
   24   1HG2  THR   4          1HG2      THR   4  14.806  13.994 -16.794
   25   2HG2  THR   4          3HG2      THR   4  13.160  13.442 -16.488
   26   3HG2  THR   4          2HG2      THR   4  13.456  15.119 -16.944
   27    H    LYS   5           H        LYS   5  13.259  12.412 -12.607
   28    HA   LYS   5           HA       LYS   5  13.475   9.775 -13.900
   29   1HB   LYS   5          2HB       LYS   5  12.258  10.841 -11.385
   30   2HB   LYS   5          1HB       LYS   5  11.637   9.324 -12.034
   31   1HG   LYS   5          2HG       LYS   5  14.514   9.298 -12.148
   32   2HG   LYS   5          1HG       LYS   5  13.998   9.706 -10.512
   33   1HD   LYS   5          2HD       LYS   5  12.511   7.499 -11.832
   34   2HD   LYS   5          1HD       LYS   5  14.187   7.156 -11.404
   35   1HE   LYS   5          2HE       LYS   5  13.798   7.356  -9.136
   36   2HE   LYS   5          1HE       LYS   5  12.485   8.510  -9.356
   37   1HZ   LYS   5          3HZ       LYS   5  11.333   6.466 -10.464
   38   2HZ   LYS   5          2HZ       LYS   5  12.434   5.580  -9.521
   39   3HZ   LYS   5          1HZ       LYS   5  11.335   6.639  -8.777
   40    H    LYS   6           H        LYS   6  10.934   8.723 -13.691
   41    HA   LYS   6           HA       LYS   6   8.843  10.369 -14.787
   42   1HB   LYS   6          2HB       LYS   6   8.856   9.596 -17.111
   43   2HB   LYS   6          1HB       LYS   6  10.379  10.401 -16.747
   44   1HG   LYS   6          2HG       LYS   6   9.981   7.392 -16.652
   45   2HG   LYS   6          1HG       LYS   6  10.660   8.257 -18.028
   46   1HD   LYS   6          2HD       LYS   6  12.217   9.255 -16.043
   47   2HD   LYS   6          1HD       LYS   6  11.877   7.654 -15.385
   48   1HE   LYS   6          2HE       LYS   6  13.561   6.924 -16.711
   49   2HE   LYS   6          1HE       LYS   6  12.433   7.126 -18.051
   50   1HZ   LYS   6          2HZ       LYS   6  13.214   9.415 -18.294
   51   2HZ   LYS   6          1HZ       LYS   6  14.339   9.170 -17.042
   52   3HZ   LYS   6          3HZ       LYS   6  14.480   8.298 -18.490
   53    H    LEU   7           H        LEU   7  10.251   7.134 -14.530
   54    HA   LEU   7           HA       LEU   7   7.988   5.958 -13.277
   55   1HB   LEU   7          2HB       LEU   7   7.554   6.274 -16.019
   56   2HB   LEU   7          1HB       LEU   7   8.117   4.612 -15.888
   57    HG   LEU   7           HG       LEU   7   5.657   4.742 -15.694
   58   1HD1  LEU   7          2HD1      LEU   7   6.961   3.010 -14.441
   59   2HD1  LEU   7          1HD1      LEU   7   6.916   4.061 -13.025
   60   3HD1  LEU   7          3HD1      LEU   7   5.417   3.409 -13.689
   61   1HD2  LEU   7          3HD2      LEU   7   6.237   6.424 -13.234
   62   2HD2  LEU   7          2HD2      LEU   7   5.478   6.994 -14.722
   63   3HD2  LEU   7          1HD2      LEU   7   4.649   5.818 -13.703
   64    H    HIS   8           H        HIS   8  10.601   5.929 -12.624
   65    HA   HIS   8           HA       HIS   8  11.878   3.478 -13.657
   66   1HB   HIS   8          2HB       HIS   8  13.025   5.784 -13.076
   67   2HB   HIS   8          1HB       HIS   8  13.037   5.128 -11.440
   68    HD1  HIS   8           HD1      HIS   8  14.707   3.287 -10.919
   69    HD2  HIS   8           HD2      HIS   8  14.532   4.178 -14.988
   70    HE1  HIS   8           HE1      HIS   8  16.615   2.028 -12.011
   71    H    LYS   9           H        LYS   9  12.679   1.835 -12.163
   72    HA   LYS   9           HA       LYS   9  10.834   1.459  -9.858
   73   1HB   LYS   9          2HB       LYS   9  12.311  -0.920 -10.667
   74   2HB   LYS   9          1HB       LYS   9  10.577  -0.692 -10.479
   75   1HG   LYS   9          2HG       LYS   9  10.540  -0.973 -12.738
   76   2HG   LYS   9          1HG       LYS   9  11.025   0.719 -12.776
   77   1HD   LYS   9          2HD       LYS   9  12.995   0.170 -13.708
   78   2HD   LYS   9          1HD       LYS   9  13.358  -0.909 -12.363
   79   1HE   LYS   9          2HE       LYS   9  11.770  -2.584 -13.533
   80   2HE   LYS   9          1HE       LYS   9  11.945  -1.550 -14.950
   81   1HZ   LYS   9          3HZ       LYS   9  14.377  -1.802 -14.721
   82   2HZ   LYS   9          2HZ       LYS   9  14.124  -2.915 -13.463
   83   3HZ   LYS   9          1HZ       LYS   9  13.586  -3.269 -15.034
   84    H    GLU  10           H        GLU  10  11.751   0.218  -7.998
   85    HA   GLU  10           HA       GLU  10  14.638   0.138  -7.622
   86   1HB   GLU  10          2HB       GLU  10  14.437   1.685  -5.543
   87   2HB   GLU  10          1HB       GLU  10  14.530   2.453  -7.125
   88   1HG   GLU  10          2HG       GLU  10  11.775   1.843  -6.508
   89   2HG   GLU  10          1HG       GLU  10  12.489   2.760  -5.183
   90    HA   PRO  11           HA       PRO  11  13.114  -3.286  -5.298
   91   1HB   PRO  11          2HB       PRO  11  15.511  -3.094  -3.636
   92   2HB   PRO  11          1HB       PRO  11  15.004  -4.381  -4.740
   93   1HG   PRO  11          2HG       PRO  11  17.053  -2.507  -5.224
   94   2HG   PRO  11          1HG       PRO  11  16.318  -3.583  -6.419
   95   1HD   PRO  11          2HD       PRO  11  16.038  -0.695  -6.181
   96   2HD   PRO  11          1HD       PRO  11  15.424  -1.764  -7.460
   97    H    ALA  12           H        ALA  12  12.067  -3.638  -3.386
   98    HA   ALA  12           HA       ALA  12  12.178  -1.541  -1.262
   99   1HB   ALA  12          3HB       ALA  12  10.190  -1.427  -2.896
  100   2HB   ALA  12          2HB       ALA  12   9.635  -2.898  -2.101
  101   3HB   ALA  12          1HB       ALA  12   9.837  -1.419  -1.170
  102    H    THR  13           H        THR  13  10.019  -3.007   0.218
  103    HA   THR  13           HA       THR  13  11.076  -5.701   0.680
  104    HB   THR  13           HB       THR  13  12.665  -4.443   2.011
  105    HG1  THR  13           HG1      THR  13  10.664  -5.300   3.819
  106   1HG2  THR  13          3HG2      THR  13  10.579  -2.593   2.237
  107   2HG2  THR  13          2HG2      THR  13  10.822  -3.187   3.878
  108   3HG2  THR  13          1HG2      THR  13  12.168  -2.478   2.989
  109    H    LEU  14           H        LEU  14   9.265  -6.918   1.048
  110    HA   LEU  14           HA       LEU  14   6.705  -5.683   1.562
  111   1HB   LEU  14          2HB       LEU  14   5.799  -7.909   1.633
  112   2HB   LEU  14          1HB       LEU  14   7.052  -7.918   0.397
  113    HG   LEU  14           HG       LEU  14   8.503  -8.596   2.617
  114   1HD1  LEU  14          1HD1      LEU  14   6.091  -8.690   3.720
  115   2HD1  LEU  14          3HD1      LEU  14   6.029 -10.264   2.928
  116   3HD1  LEU  14          2HD1      LEU  14   7.298  -9.917   4.102
  117   1HD2  LEU  14          1HD2      LEU  14   7.100 -10.173   0.487
  118   2HD2  LEU  14          3HD2      LEU  14   8.826  -9.903   0.720
  119   3HD2  LEU  14          2HD2      LEU  14   7.963 -11.034   1.761
  120    H    ILE  15           H        ILE  15   6.089  -4.868   3.488
  121    HA   ILE  15           HA       ILE  15   7.354  -6.057   5.918
  122    HB   ILE  15           HB       ILE  15   6.114  -3.304   5.674
  123   1HG1  ILE  15          2HG1      ILE  15   8.992  -3.312   5.935
  124   2HG1  ILE  15          1HG1      ILE  15   8.532  -4.264   4.525
  125   1HG2  ILE  15          1HG2      ILE  15   7.665  -4.787   7.781
  126   2HG2  ILE  15          3HG2      ILE  15   7.775  -3.030   7.688
  127   3HG2  ILE  15          2HG2      ILE  15   6.214  -3.802   7.957
  128   1HD1  ILE  15          1HD1      ILE  15   7.503  -1.473   5.100
  129   2HD1  ILE  15          3HD1      ILE  15   8.843  -1.832   4.013
  130   3HD1  ILE  15          2HD1      ILE  15   7.223  -2.420   3.639
  131    H    LYS  16           H        LYS  16   4.211  -5.050   4.606
  132    HA   LYS  16           HA       LYS  16   2.683  -6.926   6.087
  133   1HB   LYS  16          2HB       LYS  16   3.590  -5.079   7.844
  134   2HB   LYS  16          1HB       LYS  16   2.132  -4.260   7.295
  135   1HG   LYS  16          2HG       LYS  16   1.156  -5.522   8.940
  136   2HG   LYS  16          1HG       LYS  16   1.128  -6.743   7.667
  137   1HD   LYS  16          2HD       LYS  16   3.508  -7.362   8.530
  138   2HD   LYS  16          1HD       LYS  16   3.037  -6.479   9.982
  139   1HE   LYS  16          2HE       LYS  16   1.266  -8.623   8.807
  140   2HE   LYS  16          1HE       LYS  16   2.564  -9.019   9.933
  141   1HZ   LYS  16          3HZ       LYS  16   1.585  -7.434  11.511
  142   2HZ   LYS  16          2HZ       LYS  16   0.300  -7.161  10.434
  143   3HZ   LYS  16          1HZ       LYS  16   0.519  -8.696  11.128
  144    H    ALA  17           H        ALA  17   1.557  -6.971   4.024
  145    HA   ALA  17           HA       ALA  17   0.407  -4.614   2.815
  146   1HB   ALA  17          3HB       ALA  17   0.762  -6.904   1.709
  147   2HB   ALA  17          2HB       ALA  17  -0.694  -7.429   2.553
  148   3HB   ALA  17          1HB       ALA  17  -0.781  -6.118   1.376
  149    H    ILE  18           H        ILE  18  -1.678  -3.787   2.947
  150    HA   ILE  18           HA       ILE  18  -3.081  -4.395   5.486
  151    HB   ILE  18           HB       ILE  18  -3.055  -2.081   3.561
  152   1HG1  ILE  18          2HG1      ILE  18  -2.866  -1.262   6.245
  153   2HG1  ILE  18          1HG1      ILE  18  -1.905  -2.739   6.144
  154   1HG2  ILE  18          3HG2      ILE  18  -5.157  -2.827   5.572
  155   2HG2  ILE  18          2HG2      ILE  18  -4.726  -1.126   5.402
  156   3HG2  ILE  18          1HG2      ILE  18  -5.340  -2.021   4.014
  157   1HD1  ILE  18          3HD1      ILE  18  -1.644  -0.490   4.137
  158   2HD1  ILE  18          2HD1      ILE  18  -0.666  -0.573   5.603
  159   3HD1  ILE  18          1HD1      ILE  18  -0.547  -1.849   4.390
  160    H    ASP  19           H        ASP  19  -4.449  -3.270   2.364
  161    HA   ASP  19           HA       ASP  19  -5.992  -5.711   1.978
  162   1HB   ASP  19          2HB       ASP  19  -7.306  -4.753   3.794
  163   2HB   ASP  19          1HB       ASP  19  -7.379  -3.199   2.964
  164    H    GLY  20           H        GLY  20  -6.890  -5.774  -0.082
  165   1HA   GLY  20          2HA       GLY  20  -7.304  -5.152  -2.302
  166   2HA   GLY  20          1HA       GLY  20  -7.283  -3.469  -1.767
  167    H    ASP  21           H        ASP  21  -5.526  -2.269  -2.257
  168    HA   ASP  21           HA       ASP  21  -3.011  -3.682  -3.046
  169   1HB   ASP  21          2HB       ASP  21  -4.686  -2.216  -4.772
  170   2HB   ASP  21          1HB       ASP  21  -3.307  -1.168  -4.451
  171    H    THR  22           H        THR  22  -4.205  -1.885  -0.679
  172    HA   THR  22           HA       THR  22  -2.314   0.333  -0.639
  173    HB   THR  22           HB       THR  22  -3.656  -0.630   1.856
  174    HG1  THR  22           HG1      THR  22  -5.519  -0.564   0.923
  175   1HG2  THR  22          2HG2      THR  22  -2.180   1.413   1.702
  176   2HG2  THR  22          1HG2      THR  22  -3.403   2.131   0.656
  177   3HG2  THR  22          3HG2      THR  22  -3.800   1.720   2.324
  178    H    VAL  23           H        VAL  23  -0.144  -0.088  -0.217
  179    HA   VAL  23           HA       VAL  23   0.490  -2.145   1.851
  180    HB   VAL  23           HB       VAL  23   2.475  -2.788   0.353
  181   1HG1  VAL  23          3HG1      VAL  23   0.314  -4.099   0.751
  182   2HG1  VAL  23          2HG1      VAL  23  -0.245  -3.448  -0.789
  183   3HG1  VAL  23          1HG1      VAL  23   1.187  -4.476  -0.734
  184   1HG2  VAL  23          3HG2      VAL  23   1.743  -0.682  -1.164
  185   2HG2  VAL  23          2HG2      VAL  23   2.560  -2.090  -1.839
  186   3HG2  VAL  23          1HG2      VAL  23   0.809  -1.943  -1.970
  187    H    LYS  24           H        LYS  24   2.110  -1.606   3.238
  188    HA   LYS  24           HA       LYS  24   3.209   1.107   3.149
  189   1HB   LYS  24          2HB       LYS  24   3.923   0.711   5.366
  190   2HB   LYS  24          1HB       LYS  24   2.425  -0.193   5.230
  191   1HG   LYS  24          2HG       LYS  24   5.195  -1.410   4.941
  192   2HG   LYS  24          1HG       LYS  24   4.223  -1.463   6.398
  193   1HD   LYS  24          2HD       LYS  24   3.583  -3.460   5.504
  194   2HD   LYS  24          1HD       LYS  24   2.410  -2.436   4.689
  195   1HE   LYS  24          2HE       LYS  24   4.235  -2.206   2.842
  196   2HE   LYS  24          1HE       LYS  24   4.959  -3.612   3.591
  197   1HZ   LYS  24          2HZ       LYS  24   2.100  -3.674   2.950
  198   2HZ   LYS  24          1HZ       LYS  24   3.216  -3.844   1.683
  199   3HZ   LYS  24          3HZ       LYS  24   3.228  -4.943   2.971
  200    H    LEU  25           H        LEU  25   4.071  -0.026   0.911
  201    HA   LEU  25           HA       LEU  25   6.591  -1.425   1.163
  202   1HB   LEU  25          2HB       LEU  25   4.907  -1.602  -0.733
  203   2HB   LEU  25          1HB       LEU  25   5.445  -0.014  -1.263
  204    HG   LEU  25           HG       LEU  25   6.515  -2.152  -2.316
  205   1HD1  LEU  25          3HD1      LEU  25   7.215   0.384  -2.347
  206   2HD1  LEU  25          2HD1      LEU  25   8.526  -0.169  -1.309
  207   3HD1  LEU  25          1HD1      LEU  25   8.338  -0.844  -2.926
  208   1HD2  LEU  25          1HD2      LEU  25   7.017  -2.960   0.131
  209   2HD2  LEU  25          3HD2      LEU  25   8.227  -3.215  -1.125
  210   3HD2  LEU  25          2HD2      LEU  25   8.403  -1.877   0.010
  211    H    MET  26           H        MET  26   8.402  -0.397   1.862
  212    HA   MET  26           HA       MET  26   8.741   2.496   1.532
  213   1HB   MET  26          2HB       MET  26  10.907   2.161   2.670
  214   2HB   MET  26          1HB       MET  26   9.606   1.374   3.559
  215   1HG   MET  26          2HG       MET  26  10.246  -0.785   2.793
  216   2HG   MET  26          1HG       MET  26  11.304  -0.116   1.552
  217   1HE   MET  26          1HE       MET  26  10.579  -0.989   5.053
  218   2HE   MET  26          3HE       MET  26  11.985  -0.549   6.033
  219   3HE   MET  26          2HE       MET  26  10.852   0.692   5.504
  220    H    TYR  27           H        TYR  27   9.952   3.494  -0.045
  221    HA   TYR  27           HA       TYR  27  10.833   1.795  -2.269
  222   1HB   TYR  27          2HB       TYR  27  11.545   4.426  -2.927
  223   2HB   TYR  27          1HB       TYR  27  10.131   3.547  -3.495
  224    HD1  TYR  27           HD2      TYR  27   7.966   3.700  -2.173
  225    HD2  TYR  27           HD1      TYR  27  11.351   6.232  -1.404
  226    HE1  TYR  27           HE2      TYR  27   6.507   5.279  -0.936
  227    HE2  TYR  27           HE1      TYR  27   9.891   7.811  -0.168
  228    HH   TYR  27           HH       TYR  27   6.961   8.175  -0.408
  229    H    LYS  28           H        LYS  28  12.430   4.547  -0.672
  230    HA   LYS  28           HA       LYS  28  14.755   3.045   0.030
  231   1HB   LYS  28          2HB       LYS  28  14.803   3.259  -2.617
  232   2HB   LYS  28          1HB       LYS  28  15.402   4.877  -2.259
  233   1HG   LYS  28          2HG       LYS  28  17.410   3.735  -2.289
  234   2HG   LYS  28          1HG       LYS  28  16.986   3.525  -0.588
  235   1HD   LYS  28          2HD       LYS  28  15.925   1.345  -1.148
  236   2HD   LYS  28          1HD       LYS  28  16.441   1.546  -2.823
  237   1HE   LYS  28          2HE       LYS  28  18.665   1.965  -1.004
  238   2HE   LYS  28          1HE       LYS  28  17.926   0.387  -0.737
  239   1HZ   LYS  28          3HZ       LYS  28  18.093  -0.031  -3.128
  240   2HZ   LYS  28          2HZ       LYS  28  18.866   1.467  -3.341
  241   3HZ   LYS  28          1HZ       LYS  28  19.615   0.243  -2.432
  242    H    GLY  29           H        GLY  29  13.224   4.770   1.393
  243   1HA   GLY  29          2HA       GLY  29  14.991   6.486   2.684
  244   2HA   GLY  29          1HA       GLY  29  14.336   7.474   1.383
  245    H    GLN  30           H        GLN  30  11.723   5.722   1.799
  246    HA   GLN  30           HA       GLN  30  10.822   6.715   4.408
  247   1HB   GLN  30          2HB       GLN  30  10.690   8.677   2.768
  248   2HB   GLN  30          1HB       GLN  30   9.405   7.777   1.961
  249   1HG   GLN  30          2HG       GLN  30   8.066   7.755   3.979
  250   2HG   GLN  30          1HG       GLN  30   9.384   8.463   4.913
  251   1HE2  GLN  30          2HE2      GLN  30   7.269  10.876   2.335
  252   2HE2  GLN  30          1HE2      GLN  30   7.267   9.198   2.084
  253    HA   PRO  31           HA       PRO  31   8.622   2.885   3.420
  254   1HB   PRO  31          2HB       PRO  31   7.941   2.695   6.193
  255   2HB   PRO  31          1HB       PRO  31   9.173   1.766   5.329
  256   1HG   PRO  31          2HG       PRO  31   9.579   3.872   7.269
  257   2HG   PRO  31          1HG       PRO  31  10.806   2.909   6.434
  258   1HD   PRO  31          2HD       PRO  31  10.108   5.672   5.972
  259   2HD   PRO  31          1HD       PRO  31  11.350   4.707   5.149
  260    H    MET  32           H        MET  32   6.690   3.517   2.447
  261    HA   MET  32           HA       MET  32   4.645   4.776   4.247
  262   1HB   MET  32          2HB       MET  32   5.415   5.599   1.443
  263   2HB   MET  32          1HB       MET  32   3.896   6.088   2.196
  264   1HG   MET  32          2HG       MET  32   6.460   6.517   3.693
  265   2HG   MET  32          1HG       MET  32   6.032   7.630   2.394
  266   1HE   MET  32          3HE       MET  32   3.501   8.449   2.144
  267   2HE   MET  32          2HE       MET  32   3.048   9.532   3.460
  268   3HE   MET  32          1HE       MET  32   4.652   9.650   2.742
  269    H    THR  33           H        THR  33   2.411   4.463   3.516
  270    HA   THR  33           HA       THR  33   2.084   1.869   2.110
  271    HB   THR  33           HB       THR  33   1.101   2.124   4.404
  272    HG1  THR  33           HG1      THR  33   0.097   0.615   3.244
  273   1HG2  THR  33          3HG2      THR  33   0.467   4.576   3.971
  274   2HG2  THR  33          2HG2      THR  33  -0.927   3.942   3.097
  275   3HG2  THR  33          1HG2      THR  33  -0.724   3.587   4.812
  276    H    PHE  34           H        PHE  34   1.184   1.797   0.073
  277    HA   PHE  34           HA       PHE  34  -0.603   3.978  -0.769
  278   1HB   PHE  34          2HB       PHE  34   0.842   4.315  -2.879
  279   2HB   PHE  34          1HB       PHE  34   1.316   5.125  -1.392
  280    HD1  PHE  34           HD1      PHE  34   3.091   4.023   0.074
  281    HD2  PHE  34           HD2      PHE  34   2.306   2.809  -3.967
  282    HE1  PHE  34           HE1      PHE  34   5.323   2.980  -0.043
  283    HE2  PHE  34           HE2      PHE  34   4.545   1.767  -4.077
  284    HZ   PHE  34           HZ       PHE  34   6.055   1.843  -2.120
  285    H    ARG  35           H        ARG  35  -0.988   3.653  -3.311
  286    HA   ARG  35           HA       ARG  35  -1.235   0.740  -3.886
  287   1HB   ARG  35          2HB       ARG  35  -3.480   2.738  -4.237
  288   2HB   ARG  35          1HB       ARG  35  -3.553   1.009  -4.567
  289   1HG   ARG  35          2HG       ARG  35  -4.178   0.664  -2.438
  290   2HG   ARG  35          1HG       ARG  35  -2.615   1.280  -1.912
  291   1HD   ARG  35          2HD       ARG  35  -3.501   3.242  -1.223
  292   2HD   ARG  35          1HD       ARG  35  -4.460   3.414  -2.690
  293    HE   ARG  35           HE       ARG  35  -5.746   1.415  -1.247
  294   1HH1  ARG  35          2HH1      ARG  35  -6.401   4.494  -1.777
  295   2HH1  ARG  35          1HH1      ARG  35  -6.944   4.920  -0.190
  296   1HH2  ARG  35          1HH2      ARG  35  -5.756   2.015   1.289
  297   2HH2  ARG  35          2HH2      ARG  35  -6.579   3.517   1.548
  298    H    LEU  36           H        LEU  36  -1.966   0.396  -6.215
  299    HA   LEU  36           HA       LEU  36  -0.187   1.708  -8.038
  300   1HB   LEU  36          2HB       LEU  36  -2.769   0.338  -8.856
  301   2HB   LEU  36          1HB       LEU  36  -1.268   0.445  -9.763
  302    HG   LEU  36           HG       LEU  36  -1.654  -1.102  -7.183
  303   1HD1  LEU  36          1HD1      LEU  36  -1.399  -1.967 -10.074
  304   2HD1  LEU  36          3HD1      LEU  36  -1.264  -3.070  -8.704
  305   3HD1  LEU  36          2HD1      LEU  36  -2.779  -2.219  -9.006
  306   1HD2  LEU  36          2HD2      LEU  36   0.722  -0.729  -9.027
  307   2HD2  LEU  36          1HD2      LEU  36   0.624  -0.330  -7.312
  308   3HD2  LEU  36          3HD2      LEU  36   0.625  -2.017  -7.827
  309    H    LEU  37           H        LEU  37  -3.744   1.779  -8.225
  310    HA   LEU  37           HA       LEU  37  -3.622   4.723  -8.744
  311   1HB   LEU  37          2HB       LEU  37  -4.261   3.145 -10.737
  312   2HB   LEU  37          1HB       LEU  37  -5.777   2.918  -9.866
  313    HG   LEU  37           HG       LEU  37  -5.354   5.685  -9.811
  314   1HD1  LEU  37          3HD1      LEU  37  -3.597   5.332 -11.557
  315   2HD1  LEU  37          2HD1      LEU  37  -4.822   4.605 -12.596
  316   3HD1  LEU  37          1HD1      LEU  37  -4.952   6.303 -12.135
  317   1HD2  LEU  37          3HD2      LEU  37  -7.045   3.989 -11.679
  318   2HD2  LEU  37          2HD2      LEU  37  -7.515   4.546 -10.074
  319   3HD2  LEU  37          1HD2      LEU  37  -7.286   5.710 -11.379
  320    H    LEU  38           H        LEU  38  -3.712   4.184  -6.254
  321    HA   LEU  38           HA       LEU  38  -4.866   3.956  -4.253
  322   1HB   LEU  38          2HB       LEU  38  -7.096   5.358  -4.284
  323   2HB   LEU  38          1HB       LEU  38  -5.530   6.149  -4.326
  324    HG   LEU  38           HG       LEU  38  -5.916   5.879  -6.976
  325   1HD1  LEU  38          2HD1      LEU  38  -8.134   4.741  -6.563
  326   2HD1  LEU  38          1HD1      LEU  38  -8.712   6.253  -5.865
  327   3HD1  LEU  38          3HD1      LEU  38  -8.245   6.189  -7.564
  328   1HD2  LEU  38          3HD2      LEU  38  -5.663   7.949  -5.381
  329   2HD2  LEU  38          2HD2      LEU  38  -6.357   8.174  -6.986
  330   3HD2  LEU  38          1HD2      LEU  38  -7.410   8.076  -5.575
  331    H    VAL  39           H        VAL  39  -5.106   1.766  -5.739
  332    HA   VAL  39           HA       VAL  39  -7.450   0.635  -6.579
  333    HB   VAL  39           HB       VAL  39  -5.393  -0.591  -4.718
  334   1HG1  VAL  39          3HG1      VAL  39  -7.691  -1.763  -6.290
  335   2HG1  VAL  39          2HG1      VAL  39  -6.232  -2.716  -6.017
  336   3HG1  VAL  39          1HG1      VAL  39  -7.172  -2.130  -4.645
  337   1HG2  VAL  39          2HG2      VAL  39  -5.630  -0.184  -7.695
  338   2HG2  VAL  39          1HG2      VAL  39  -4.229   0.041  -6.649
  339   3HG2  VAL  39          3HG2      VAL  39  -4.756  -1.586  -7.081
  340    H    ASP  40           H        ASP  40  -6.745   1.316  -3.144
  341    HA   ASP  40           HA       ASP  40  -9.350   0.059  -2.424
  342   1HB   ASP  40          2HB       ASP  40  -6.899  -0.255  -1.254
  343   2HB   ASP  40          1HB       ASP  40  -7.593   1.016  -0.249
  344    H    THR  41           H        THR  41  -9.453   2.578  -3.719
  345    HA   THR  41           HA       THR  41 -10.256   4.385  -1.483
  346    HB   THR  41           HB       THR  41  -9.140   4.937  -4.234
  347    HG1  THR  41           HG1      THR  41  -8.506   5.610  -1.567
  348   1HG2  THR  41          2HG2      THR  41 -10.972   6.594  -2.583
  349   2HG2  THR  41          1HG2      THR  41  -9.591   7.411  -3.317
  350   3HG2  THR  41          3HG2      THR  41 -10.752   6.557  -4.333
  351    HA   PRO  42           HA       PRO  42 -14.181   3.111  -3.510
  352   1HB   PRO  42          2HB       PRO  42 -15.517   3.482  -1.029
  353   2HB   PRO  42          1HB       PRO  42 -15.047   1.941  -1.760
  354   1HG   PRO  42          2HG       PRO  42 -13.890   3.249   0.561
  355   2HG   PRO  42          1HG       PRO  42 -13.511   1.654  -0.102
  356   1HD   PRO  42          2HD       PRO  42 -11.923   4.055  -0.266
  357   2HD   PRO  42          1HD       PRO  42 -11.553   2.453  -0.933
  358    H    GLU  43           H        GLU  43 -15.415   4.704  -4.490
  359    HA   GLU  43           HA       GLU  43 -16.152   7.130  -2.988
  360   1HB   GLU  43          2HB       GLU  43 -15.259   8.660  -4.661
  361   2HB   GLU  43          1HB       GLU  43 -13.949   7.642  -4.068
  362   1HG   GLU  43          2HG       GLU  43 -13.676   6.597  -6.077
  363   2HG   GLU  43          1HG       GLU  43 -15.407   6.561  -6.409
  364    H    THR  44           H        THR  44 -17.230   8.593  -5.062
  365    HA   THR  44           HA       THR  44 -19.499   6.872  -5.871
  366    HB   THR  44           HB       THR  44 -19.191   9.867  -6.260
  367    HG1  THR  44           HG1      THR  44 -20.333   8.400  -4.114
  368   1HG2  THR  44          1HG2      THR  44 -21.601   8.029  -6.177
  369   2HG2  THR  44          3HG2      THR  44 -21.668   9.784  -6.334
  370   3HG2  THR  44          2HG2      THR  44 -20.943   8.812  -7.613
  371    H    LYS  45           H        LYS  45 -18.268   5.688  -7.493
  372    HA   LYS  45           HA       LYS  45 -18.384   6.959 -10.130
  373   1HB   LYS  45          2HB       LYS  45 -16.053   7.421  -8.930
  374   2HB   LYS  45          1HB       LYS  45 -15.712   5.778  -9.468
  375   1HG   LYS  45          2HG       LYS  45 -15.283   6.561 -11.532
  376   2HG   LYS  45          1HG       LYS  45 -16.947   7.133 -11.646
  377   1HD   LYS  45          2HD       LYS  45 -15.722   9.107 -11.947
  378   2HD   LYS  45          1HD       LYS  45 -16.086   9.152 -10.222
  379   1HE   LYS  45          2HE       LYS  45 -13.794   9.594 -10.221
  380   2HE   LYS  45          1HE       LYS  45 -13.815   7.845  -9.992
  381   1HZ   LYS  45          2HZ       LYS  45 -13.538   9.213 -12.616
  382   2HZ   LYS  45          1HZ       LYS  45 -12.251   8.555 -11.723
  383   3HZ   LYS  45          3HZ       LYS  45 -13.461   7.538 -12.339
  384    H    HIS  46           H        HIS  46 -16.880   4.159  -8.456
  385    HA   HIS  46           HA       HIS  46 -17.971   2.393 -10.595
  386   1HB   HIS  46          2HB       HIS  46 -15.783   2.010  -8.537
  387   2HB   HIS  46          1HB       HIS  46 -16.404   0.688  -9.527
  388    HD1  HIS  46           HD1      HIS  46 -14.706   4.068  -9.887
  389    HD2  HIS  46           HD2      HIS  46 -15.395   0.621 -12.129
  390    HE1  HIS  46           HE1      HIS  46 -13.366   4.321 -12.021
  391    HA   PRO  47           HA       PRO  47 -21.173   1.369  -7.655
  392   1HB   PRO  47          2HB       PRO  47 -21.998  -0.777  -9.383
  393   2HB   PRO  47          1HB       PRO  47 -22.764   0.803  -9.171
  394   1HG   PRO  47          2HG       PRO  47 -21.254  -0.131 -11.444
  395   2HG   PRO  47          1HG       PRO  47 -22.030   1.444 -11.228
  396   1HD   PRO  47          2HD       PRO  47 -19.211   0.842 -11.165
  397   2HD   PRO  47          1HD       PRO  47 -19.994   2.419 -10.948
  398    H    LYS  48           H        LYS  48 -20.476   0.253  -5.875
  399    HA   LYS  48           HA       LYS  48 -19.877  -2.625  -6.122
  400   1HB   LYS  48          2HB       LYS  48 -17.693  -1.277  -6.376
  401   2HB   LYS  48          1HB       LYS  48 -17.898  -0.857  -4.675
  402   1HG   LYS  48          2HG       LYS  48 -17.494  -3.006  -3.949
  403   2HG   LYS  48          1HG       LYS  48 -18.158  -3.738  -5.410
  404   1HD   LYS  48          2HD       LYS  48 -16.148  -2.894  -6.665
  405   2HD   LYS  48          1HD       LYS  48 -15.468  -2.372  -5.123
  406   1HE   LYS  48          2HE       LYS  48 -14.524  -4.487  -5.310
  407   2HE   LYS  48          1HE       LYS  48 -15.989  -4.863  -4.405
  408   1HZ   LYS  48          1HZ       LYS  48 -15.825  -4.974  -7.365
  409   2HZ   LYS  48          3HZ       LYS  48 -15.560  -6.318  -6.366
  410   3HZ   LYS  48          2HZ       LYS  48 -17.078  -5.555  -6.375
  411    H    LYS  49           H        LYS  49 -20.786  -3.673  -4.415
  412    HA   LYS  49           HA       LYS  49 -21.984  -2.089  -2.243
  413   1HB   LYS  49          2HB       LYS  49 -22.430  -4.681  -3.457
  414   2HB   LYS  49          1HB       LYS  49 -22.317  -4.839  -1.705
  415   1HG   LYS  49          2HG       LYS  49 -23.967  -2.613  -2.853
  416   2HG   LYS  49          1HG       LYS  49 -24.631  -4.247  -2.837
  417   1HD   LYS  49          2HD       LYS  49 -24.161  -4.387  -0.396
  418   2HD   LYS  49          1HD       LYS  49 -23.590  -2.718  -0.433
  419   1HE   LYS  49          2HE       LYS  49 -25.779  -1.931  -1.142
  420   2HE   LYS  49          1HE       LYS  49 -26.367  -3.587  -1.284
  421   1HZ   LYS  49          1HZ       LYS  49 -26.002  -3.881   1.089
  422   2HZ   LYS  49          3HZ       LYS  49 -25.450  -2.283   1.222
  423   3HZ   LYS  49          2HZ       LYS  49 -27.065  -2.588   0.796
  424    H    GLY  50           H        GLY  50 -21.554  -2.500   0.019
  425   1HA   GLY  50          2HA       GLY  50 -18.722  -3.057   0.560
  426   2HA   GLY  50          1HA       GLY  50 -19.911  -2.496   1.734
  427    H    VAL  51           H        VAL  51 -18.910  -5.379  -0.103
  428    HA   VAL  51           HA       VAL  51 -19.818  -7.050   2.197
  429    HB   VAL  51           HB       VAL  51 -19.980  -8.347  -0.450
  430   1HG1  VAL  51          2HG1      VAL  51 -21.470  -8.266   2.141
  431   2HG1  VAL  51          1HG1      VAL  51 -22.328  -8.827   0.707
  432   3HG1  VAL  51          3HG1      VAL  51 -20.865  -9.656   1.238
  433   1HG2  VAL  51          1HG2      VAL  51 -21.861  -6.089   0.302
  434   2HG2  VAL  51          3HG2      VAL  51 -20.875  -6.209  -1.155
  435   3HG2  VAL  51          2HG2      VAL  51 -22.235  -7.307  -0.917
  436    H    GLU  52           H        GLU  52 -18.900  -9.505   0.927
  437    HA   GLU  52           HA       GLU  52 -16.026  -9.204   1.450
  438   1HB   GLU  52          2HB       GLU  52 -17.424 -11.163   2.260
  439   2HB   GLU  52          1HB       GLU  52 -17.510 -11.703   0.584
  440   1HG   GLU  52          2HG       GLU  52 -14.822 -11.265   0.853
  441   2HG   GLU  52          1HG       GLU  52 -15.243 -11.798   2.480
  442    H    LYS  53           H        LYS  53 -15.519  -7.849  -0.414
  443    HA   LYS  53           HA       LYS  53 -14.817  -9.439  -2.783
  444   1HB   LYS  53          2HB       LYS  53 -17.266  -8.378  -2.934
  445   2HB   LYS  53          1HB       LYS  53 -16.348  -6.945  -3.397
  446   1HG   LYS  53          2HG       LYS  53 -16.635  -7.947  -5.473
  447   2HG   LYS  53          1HG       LYS  53 -15.094  -8.652  -4.986
  448   1HD   LYS  53          2HD       LYS  53 -16.257 -10.567  -5.597
  449   2HD   LYS  53          1HD       LYS  53 -16.648 -10.489  -3.879
  450   1HE   LYS  53          2HE       LYS  53 -18.728  -9.203  -4.484
  451   2HE   LYS  53          1HE       LYS  53 -18.361  -9.515  -6.181
  452   1HZ   LYS  53          1HZ       LYS  53 -18.774 -11.589  -4.094
  453   2HZ   LYS  53          3HZ       LYS  53 -19.900 -11.151  -5.284
  454   3HZ   LYS  53          2HZ       LYS  53 -18.434 -11.884  -5.733
  455    H    TYR  54           H        TYR  54 -13.302  -8.023  -0.754
  456    HA   TYR  54           HA       TYR  54 -12.310  -5.574  -2.083
  457   1HB   TYR  54          2HB       TYR  54 -12.299  -6.624   0.607
  458   2HB   TYR  54          1HB       TYR  54 -10.649  -6.254   0.111
  459    HD1  TYR  54           HD2      TYR  54 -10.957  -3.974  -1.687
  460    HD2  TYR  54           HD1      TYR  54 -13.025  -4.863   1.973
  461    HE1  TYR  54           HE2      TYR  54 -11.397  -1.558  -1.347
  462    HE2  TYR  54           HE1      TYR  54 -13.463  -2.447   2.311
  463    HH   TYR  54           HH       TYR  54 -11.915  -0.108   1.076
  464    H    GLY  55           H        GLY  55 -11.205  -8.863  -1.305
  465   1HA   GLY  55          2HA       GLY  55  -8.809  -8.397  -3.041
  466   2HA   GLY  55          1HA       GLY  55  -8.848  -9.559  -1.715
  467    HA   PRO  56           HA       PRO  56 -11.291 -11.142  -5.646
  468   1HB   PRO  56          2HB       PRO  56  -9.479 -10.662  -7.794
  469   2HB   PRO  56          1HB       PRO  56 -11.061  -9.915  -7.547
  470   1HG   PRO  56          2HG       PRO  56  -8.452  -8.691  -7.275
  471   2HG   PRO  56          1HG       PRO  56 -10.040  -7.931  -7.100
  472   1HD   PRO  56          2HD       PRO  56  -8.164  -8.633  -5.017
  473   2HD   PRO  56          1HD       PRO  56  -9.736  -7.827  -4.850
  474    H    GLU  57           H        GLU  57  -9.862 -12.562  -7.675
  475    HA   GLU  57           HA       GLU  57  -7.942 -14.203  -6.066
  476   1HB   GLU  57          2HB       GLU  57  -9.890 -15.558  -6.330
  477   2HB   GLU  57          1HB       GLU  57 -10.096 -15.065  -8.012
  478   1HG   GLU  57          2HG       GLU  57  -8.224 -16.323  -8.733
  479   2HG   GLU  57          1HG       GLU  57  -7.613 -16.509  -7.086
  480    H    ALA  58           H        ALA  58  -8.952 -13.964  -9.498
  481    HA   ALA  58           HA       ALA  58  -6.270 -14.375 -10.486
  482   1HB   ALA  58          2HB       ALA  58  -8.279 -14.942 -11.826
  483   2HB   ALA  58          1HB       ALA  58  -8.706 -13.233 -11.896
  484   3HB   ALA  58          3HB       ALA  58  -7.238 -13.807 -12.684
  485    H    SER  59           H        SER  59  -8.304 -11.544  -9.846
  486    HA   SER  59           HA       SER  59  -6.329  -9.667 -10.919
  487   1HB   SER  59          2HB       SER  59  -8.980  -9.408  -9.521
  488   2HB   SER  59          1HB       SER  59  -7.927  -8.005  -9.675
  489    HG   SER  59           HG       SER  59  -8.252  -7.984 -11.777
  490    H    ALA  60           H        ALA  60  -6.999 -11.189  -7.836
  491    HA   ALA  60           HA       ALA  60  -5.642  -9.196  -6.198
  492   1HB   ALA  60          3HB       ALA  60  -6.497 -12.054  -5.715
  493   2HB   ALA  60          2HB       ALA  60  -5.641 -11.107  -4.498
  494   3HB   ALA  60          1HB       ALA  60  -7.221 -10.580  -5.075
  495    H    PHE  61           H        PHE  61  -4.538 -11.752  -8.252
  496    HA   PHE  61           HA       PHE  61  -2.128 -12.488  -6.923
  497   1HB   PHE  61          2HB       PHE  61  -1.562 -13.579  -8.892
  498   2HB   PHE  61          1HB       PHE  61  -3.306 -13.447  -9.073
  499    HD1  PHE  61           HD1      PHE  61  -3.797 -10.737  -9.962
  500    HD2  PHE  61           HD2      PHE  61  -0.546 -13.360 -10.954
  501    HE1  PHE  61           HE1      PHE  61  -3.461  -9.515 -12.093
  502    HE2  PHE  61           HE2      PHE  61  -0.207 -12.136 -13.085
  503    HZ   PHE  61           HZ       PHE  61  -1.665 -10.213 -13.654
  504    H    THR  62           H        THR  62  -2.993  -9.590  -8.626
  505    HA   THR  62           HA       THR  62  -0.248  -8.680  -9.066
  506    HB   THR  62           HB       THR  62  -2.985  -7.724  -9.667
  507    HG1  THR  62           HG1      THR  62  -0.442  -7.643 -10.897
  508   1HG2  THR  62          1HG2      THR  62  -0.801  -5.840  -8.835
  509   2HG2  THR  62          3HG2      THR  62  -1.904  -5.375 -10.130
  510   3HG2  THR  62          2HG2      THR  62  -2.534  -5.744  -8.526
  511    H    LYS  63           H        LYS  63  -2.889  -7.950  -6.777
  512    HA   LYS  63           HA       LYS  63  -1.460  -5.900  -5.361
  513   1HB   LYS  63          2HB       LYS  63  -3.276  -5.838  -3.918
  514   2HB   LYS  63          1HB       LYS  63  -4.011  -6.515  -5.366
  515   1HG   LYS  63          2HG       LYS  63  -3.388  -8.821  -4.304
  516   2HG   LYS  63          1HG       LYS  63  -3.263  -7.906  -2.804
  517   1HD   LYS  63          2HD       LYS  63  -5.646  -7.008  -3.944
  518   2HD   LYS  63          1HD       LYS  63  -5.644  -8.740  -4.269
  519   1HE   LYS  63          2HE       LYS  63  -4.838  -7.866  -1.533
  520   2HE   LYS  63          1HE       LYS  63  -6.547  -7.741  -1.953
  521   1HZ   LYS  63          2HZ       LYS  63  -4.895 -10.192  -2.246
  522   2HZ   LYS  63          1HZ       LYS  63  -5.984  -9.896  -0.976
  523   3HZ   LYS  63          3HZ       LYS  63  -6.559 -10.058  -2.563
  524    H    LYS  64           H        LYS  64  -1.688  -9.418  -4.881
  525    HA   LYS  64           HA       LYS  64  -0.106  -9.341  -2.428
  526   1HB   LYS  64          2HB       LYS  64  -1.178 -11.551  -4.180
  527   2HB   LYS  64          1HB       LYS  64  -0.046 -11.892  -2.874
  528   1HG   LYS  64          2HG       LYS  64  -2.836 -10.770  -2.696
  529   2HG   LYS  64          1HG       LYS  64  -2.157 -12.169  -1.867
  530   1HD   LYS  64          2HD       LYS  64  -0.563 -10.475  -0.734
  531   2HD   LYS  64          1HD       LYS  64  -1.695  -9.244  -1.297
  532   1HE   LYS  64          2HE       LYS  64  -3.538 -10.614  -0.188
  533   2HE   LYS  64          1HE       LYS  64  -2.256 -11.556   0.573
  534   1HZ   LYS  64          2HZ       LYS  64  -2.582  -8.611   0.795
  535   2HZ   LYS  64          1HZ       LYS  64  -3.014  -9.739   1.989
  536   3HZ   LYS  64          3HZ       LYS  64  -1.386  -9.544   1.559
  537    H    MET  65           H        MET  65   0.603  -9.218  -5.768
  538    HA   MET  65           HA       MET  65   2.933 -10.725  -6.086
  539   1HB   MET  65          2HB       MET  65   1.667  -9.099  -7.725
  540   2HB   MET  65          1HB       MET  65   2.848  -7.920  -7.154
  541   1HG   MET  65          2HG       MET  65   3.670  -9.063  -9.176
  542   2HG   MET  65          1HG       MET  65   4.681  -9.450  -7.786
  543   1HE   MET  65          2HE       MET  65   5.051 -11.436  -6.772
  544   2HE   MET  65          1HE       MET  65   4.742 -13.021  -7.473
  545   3HE   MET  65          3HE       MET  65   5.703 -11.830  -8.359
  546    H    LEU  66           H        LEU  66   2.583  -7.565  -4.468
  547    HA   LEU  66           HA       LEU  66   5.485  -7.517  -3.909
  548   1HB   LEU  66          2HB       LEU  66   5.227  -5.268  -3.282
  549   2HB   LEU  66          1HB       LEU  66   4.049  -5.457  -4.576
  550    HG   LEU  66           HG       LEU  66   2.651  -6.190  -2.256
  551   1HD1  LEU  66          1HD1      LEU  66   4.738  -5.005  -1.157
  552   2HD1  LEU  66          3HD1      LEU  66   3.924  -3.529  -1.675
  553   3HD1  LEU  66          2HD1      LEU  66   3.116  -4.640  -0.571
  554   1HD2  LEU  66          2HD2      LEU  66   2.061  -4.739  -4.352
  555   2HD2  LEU  66          1HD2      LEU  66   1.262  -4.376  -2.823
  556   3HD2  LEU  66          3HD2      LEU  66   2.616  -3.387  -3.367
  557    H    GLU  67           H        GLU  67   2.701  -8.777  -2.413
  558    HA   GLU  67           HA       GLU  67   3.629  -8.335   0.341
  559   1HB   GLU  67          2HB       GLU  67   1.328  -8.455   0.365
  560   2HB   GLU  67          1HB       GLU  67   1.265  -9.544  -1.015
  561   1HG   GLU  67          2HG       GLU  67   0.632 -10.988   0.664
  562   2HG   GLU  67          1HG       GLU  67   2.373 -11.239   0.702
  563    H    ASN  68           H        ASN  68   3.587 -10.889  -2.078
  564    HA   ASN  68           HA       ASN  68   4.933 -12.784  -0.245
  565   1HB   ASN  68          2HB       ASN  68   4.342 -14.477  -1.766
  566   2HB   ASN  68          1HB       ASN  68   2.985 -13.358  -1.849
  567   1HD2  ASN  68          2HD2      ASN  68   3.936 -12.161  -5.159
  568   2HD2  ASN  68          1HD2      ASN  68   3.267 -11.586  -3.706
  569    H    ALA  69           H        ALA  69   5.677 -10.922  -3.182
  570    HA   ALA  69           HA       ALA  69   8.157 -12.260  -3.798
  571   1HB   ALA  69          3HB       ALA  69   7.027  -9.560  -4.495
  572   2HB   ALA  69          2HB       ALA  69   8.627 -10.059  -5.038
  573   3HB   ALA  69          1HB       ALA  69   7.199 -10.970  -5.533
  574    H    LYS  70           H        LYS  70  10.320 -11.379  -3.551
  575    HA   LYS  70           HA       LYS  70  10.646  -9.986  -0.928
  576   1HB   LYS  70          2HB       LYS  70  13.111 -10.788  -1.265
  577   2HB   LYS  70          1HB       LYS  70  11.894 -11.963  -0.777
  578   1HG   LYS  70          2HG       LYS  70  12.218 -11.613  -3.706
  579   2HG   LYS  70          1HG       LYS  70  13.589 -12.338  -2.871
  580   1HD   LYS  70          2HD       LYS  70  10.778 -13.313  -2.373
  581   2HD   LYS  70          1HD       LYS  70  11.724 -13.922  -3.731
  582   1HE   LYS  70          2HE       LYS  70  13.240 -13.883  -1.223
  583   2HE   LYS  70          1HE       LYS  70  11.810 -14.910  -1.141
  584   1HZ   LYS  70          1HZ       LYS  70  12.533 -16.011  -3.172
  585   2HZ   LYS  70          3HZ       LYS  70  13.915 -15.030  -3.234
  586   3HZ   LYS  70          2HZ       LYS  70  13.717 -16.135  -1.960
  587    H    LYS  71           H        LYS  71  11.765  -9.948  -4.301
  588    HA   LYS  71           HA       LYS  71  13.149  -7.362  -3.902
  589   1HB   LYS  71          2HB       LYS  71  12.570  -8.840  -6.498
  590   2HB   LYS  71          1HB       LYS  71  13.730  -7.533  -6.265
  591   1HG   LYS  71          2HG       LYS  71  13.886 -10.211  -4.847
  592   2HG   LYS  71          1HG       LYS  71  14.785  -9.815  -6.311
  593   1HD   LYS  71          2HD       LYS  71  15.930  -7.991  -5.169
  594   2HD   LYS  71          1HD       LYS  71  14.962  -8.251  -3.718
  595   1HE   LYS  71          2HE       LYS  71  16.771 -10.362  -4.923
  596   2HE   LYS  71          1HE       LYS  71  17.267  -9.279  -3.624
  597   1HZ   LYS  71          3HZ       LYS  71  15.137 -10.125  -2.480
  598   2HZ   LYS  71          2HZ       LYS  71  15.234 -11.413  -3.585
  599   3HZ   LYS  71          1HZ       LYS  71  16.505 -11.125  -2.497
  600    H    ILE  72           H        ILE  72  12.141  -5.371  -4.375
  601    HA   ILE  72           HA       ILE  72   9.492  -5.522  -5.732
  602    HB   ILE  72           HB       ILE  72  10.177  -4.169  -3.145
  603   1HG1  ILE  72          2HG1      ILE  72   7.635  -5.617  -3.477
  604   2HG1  ILE  72          1HG1      ILE  72   9.068  -6.625  -3.669
  605   1HG2  ILE  72          3HG2      ILE  72   7.992  -3.563  -5.107
  606   2HG2  ILE  72          2HG2      ILE  72   7.702  -3.349  -3.380
  607   3HG2  ILE  72          1HG2      ILE  72   8.988  -2.445  -4.177
  608   1HD1  ILE  72          1HD1      ILE  72   9.816  -5.280  -1.477
  609   2HD1  ILE  72          3HD1      ILE  72   8.069  -5.192  -1.262
  610   3HD1  ILE  72          2HD1      ILE  72   8.863  -6.761  -1.389
  611    H    GLU  73           H        GLU  73  10.177  -4.611  -7.580
  612    HA   GLU  73           HA       GLU  73  11.809  -2.185  -7.619
  613   1HB   GLU  73          2HB       GLU  73  10.481  -3.897  -9.722
  614   2HB   GLU  73          1HB       GLU  73  11.198  -2.345 -10.139
  615   1HG   GLU  73          2HG       GLU  73  13.197  -3.435  -8.634
  616   2HG   GLU  73          1HG       GLU  73  12.514  -4.880  -9.383
  617    H    VAL  74           H        VAL  74  10.365  -0.816  -6.332
  618    HA   VAL  74           HA       VAL  74   7.650  -0.248  -7.031
  619    HB   VAL  74           HB       VAL  74   8.780   2.192  -6.073
  620   1HG1  VAL  74          3HG1      VAL  74   6.543   1.279  -5.587
  621   2HG1  VAL  74          2HG1      VAL  74   7.284   0.034  -4.582
  622   3HG1  VAL  74          1HG1      VAL  74   7.410   1.730  -4.120
  623   1HG2  VAL  74          2HG2      VAL  74   9.832  -0.256  -4.639
  624   2HG2  VAL  74          1HG2      VAL  74  10.769   1.069  -5.326
  625   3HG2  VAL  74          3HG2      VAL  74   9.757   1.348  -3.913
  626    H    GLU  75           H        GLU  75   7.425   0.037  -9.277
  627    HA   GLU  75           HA       GLU  75   9.039   2.148 -10.574
  628   1HB   GLU  75          2HB       GLU  75   8.276  -0.161 -11.620
  629   2HB   GLU  75          1HB       GLU  75   6.790   0.726 -11.960
  630   1HG   GLU  75          2HG       GLU  75   8.102   2.477 -13.109
  631   2HG   GLU  75          1HG       GLU  75   9.578   1.575 -12.791
  632    H    PHE  76           H        PHE  76   8.173   3.835  -9.228
  633    HA   PHE  76           HA       PHE  76   5.432   4.675 -10.045
  634   1HB   PHE  76          2HB       PHE  76   4.892   5.228  -7.886
  635   2HB   PHE  76          1HB       PHE  76   5.945   3.845  -7.607
  636    HD1  PHE  76           HD1      PHE  76   8.466   4.330  -7.180
  637    HD2  PHE  76           HD2      PHE  76   5.374   7.297  -6.963
  638    HE1  PHE  76           HE1      PHE  76   9.946   5.786  -5.832
  639    HE2  PHE  76           HE2      PHE  76   6.845   8.754  -5.618
  640    HZ   PHE  76           HZ       PHE  76   9.144   7.998  -5.043
  641    H    ASP  77           H        ASP  77   8.481   5.427 -10.748
  642    HA   ASP  77           HA       ASP  77   9.570   7.325 -11.500
  643   1HB   ASP  77          2HB       ASP  77   8.282   8.776 -12.644
  644   2HB   ASP  77          1HB       ASP  77   6.943   7.749 -12.165
  645    H    LYS  78           H        LYS  78  10.365   9.481 -10.761
  646    HA   LYS  78           HA       LYS  78  11.357   9.535  -8.205
  647   1HB   LYS  78          2HB       LYS  78  11.008  11.488 -10.286
  648   2HB   LYS  78          1HB       LYS  78  10.721  12.251  -8.722
  649   1HG   LYS  78          2HG       LYS  78  13.082  10.427  -9.025
  650   2HG   LYS  78          1HG       LYS  78  13.181  12.062  -9.678
  651   1HD   LYS  78          2HD       LYS  78  12.890  13.056  -7.561
  652   2HD   LYS  78          1HD       LYS  78  12.219  11.584  -6.862
  653   1HE   LYS  78          2HE       LYS  78  14.412  11.624  -6.008
  654   2HE   LYS  78          1HE       LYS  78  14.542  10.538  -7.390
  655   1HZ   LYS  78          2HZ       LYS  78  15.142  13.445  -7.476
  656   2HZ   LYS  78          1HZ       LYS  78  16.313  12.227  -7.307
  657   3HZ   LYS  78          3HZ       LYS  78  15.388  12.319  -8.725
  658    H    GLY  79           H        GLY  79   8.395  11.402  -9.025
  659   1HA   GLY  79          2HA       GLY  79   7.441  10.921  -6.241
  660   2HA   GLY  79          1HA       GLY  79   7.377  12.540  -6.944
  661    H    GLN  80           H        GLN  80   5.318  10.296  -6.186
  662    HA   GLN  80           HA       GLN  80   3.923   9.467  -8.510
  663   1HB   GLN  80          2HB       GLN  80   2.291  10.313  -6.151
  664   2HB   GLN  80          1HB       GLN  80   2.190   8.842  -7.107
  665   1HG   GLN  80          2HG       GLN  80   3.137   7.898  -5.256
  666   2HG   GLN  80          1HG       GLN  80   4.630   8.494  -5.971
  667   1HE2  GLN  80          2HE2      GLN  80   5.124  10.087  -2.828
  668   2HE2  GLN  80          1HE2      GLN  80   5.623   8.826  -3.846
  669    H    ARG  81           H        ARG  81   3.553  12.312  -6.461
  670    HA   ARG  81           HA       ARG  81   3.345  14.469  -7.910
  671   1HB   ARG  81          2HB       ARG  81   2.119  13.455  -9.735
  672   2HB   ARG  81          1HB       ARG  81   0.874  12.865  -8.637
  673   1HG   ARG  81          2HG       ARG  81   0.983  15.629  -8.160
  674   2HG   ARG  81          1HG       ARG  81   1.123  15.474  -9.911
  675   1HD   ARG  81          2HD       ARG  81  -0.984  14.004  -8.315
  676   2HD   ARG  81          1HD       ARG  81  -1.258  15.608  -8.995
  677    HE   ARG  81           HE       ARG  81  -0.369  14.142 -11.162
  678   1HH1  ARG  81          2HH1      ARG  81  -1.454  11.685  -9.968
  679   2HH1  ARG  81          1HH1      ARG  81  -3.114  11.702 -10.459
  680   1HH2  ARG  81          1HH2      ARG  81  -3.109  15.078 -11.285
  681   2HH2  ARG  81          2HH2      ARG  81  -4.055  13.629 -11.206
  682    H    THR  82           H        THR  82   0.598  12.694  -6.447
  683    HA   THR  82           HA       THR  82   0.787  14.178  -3.964
  684    HB   THR  82           HB       THR  82  -1.668  15.087  -4.275
  685    HG1  THR  82           HG1      THR  82  -2.283  15.381  -6.280
  686   1HG2  THR  82          2HG2      THR  82   0.749  16.259  -4.124
  687   2HG2  THR  82          1HG2      THR  82   0.293  16.765  -5.751
  688   3HG2  THR  82          3HG2      THR  82  -0.737  17.173  -4.379
  689    H    ASP  83           H        ASP  83  -2.208  13.158  -5.544
  690    HA   ASP  83           HA       ASP  83  -3.240  10.924  -5.314
  691   1HB   ASP  83          2HB       ASP  83  -1.500   9.944  -3.887
  692   2HB   ASP  83          1HB       ASP  83  -1.928  11.032  -2.573
  693    H    LYS  84           H        LYS  84  -5.235  10.464  -3.751
  694    HA   LYS  84           HA       LYS  84  -6.657  12.986  -3.429
  695   1HB   LYS  84          2HB       LYS  84  -7.341  10.211  -3.595
  696   2HB   LYS  84          1HB       LYS  84  -8.002  10.835  -2.086
  697   1HG   LYS  84          2HG       LYS  84  -9.532  12.123  -3.153
  698   2HG   LYS  84          1HG       LYS  84  -8.367  12.657  -4.365
  699   1HD   LYS  84          2HD       LYS  84  -9.104   9.812  -4.589
  700   2HD   LYS  84          1HD       LYS  84 -10.446  10.925  -4.855
  701   1HE   LYS  84          2HE       LYS  84  -9.234  12.087  -6.589
  702   2HE   LYS  84          1HE       LYS  84  -7.757  11.196  -6.225
  703   1HZ   LYS  84          3HZ       LYS  84 -10.288  10.011  -7.234
  704   2HZ   LYS  84          2HZ       LYS  84  -8.889  10.287  -8.155
  705   3HZ   LYS  84          1HZ       LYS  84  -8.865   9.155  -6.889
  706    H    TYR  85           H        TYR  85  -5.224  10.550  -1.277
  707    HA   TYR  85           HA       TYR  85  -5.843  12.175   1.121
  708   1HB   TYR  85          2HB       TYR  85  -4.136   9.671   0.982
  709   2HB   TYR  85          1HB       TYR  85  -4.938  10.350   2.397
  710    HD1  TYR  85           HD2      TYR  85  -7.425  10.250   2.601
  711    HD2  TYR  85           HD1      TYR  85  -5.319   8.306  -0.599
  712    HE1  TYR  85           HE2      TYR  85  -9.437   8.887   2.102
  713    HE2  TYR  85           HE1      TYR  85  -7.325   6.951  -1.096
  714    HH   TYR  85           HH       TYR  85 -10.194   7.577  -0.398
  715    H    GLY  86           H        GLY  86  -3.311  11.624  -1.188
  716   1HA   GLY  86          2HA       GLY  86  -1.414  13.027  -1.514
  717   2HA   GLY  86          1HA       GLY  86  -1.612  13.645   0.127
  718    H    ARG  87           H        ARG  87  -1.403  10.236  -0.986
  719    HA   ARG  87           HA       ARG  87   0.888   9.905   0.888
  720   1HB   ARG  87          2HB       ARG  87   0.275   7.479   0.831
  721   2HB   ARG  87          1HB       ARG  87  -1.000   8.515   1.466
  722   1HG   ARG  87          2HG       ARG  87  -2.391   7.689  -0.083
  723   2HG   ARG  87          1HG       ARG  87  -1.382   8.420  -1.332
  724   1HD   ARG  87          2HD       ARG  87  -0.056   6.455  -1.545
  725   2HD   ARG  87          1HD       ARG  87  -0.741   5.749  -0.083
  726    HE   ARG  87           HE       ARG  87  -1.768   5.293  -2.600
  727   1HH1  ARG  87          1HH2      ARG  87  -2.949   5.192   0.450
  728   2HH1  ARG  87          2HH2      ARG  87  -4.591   5.583   0.068
  729   1HH2  ARG  87          2HH1      ARG  87  -3.891   6.504  -3.206
  730   2HH2  ARG  87          1HH1      ARG  87  -5.126   6.320  -2.008
  731    H    VAL  88           H        VAL  88   1.338   7.233  -0.575
  732    HA   VAL  88           HA       VAL  88   3.141   8.399  -2.636
  733    HB   VAL  88           HB       VAL  88   3.269   5.627  -1.472
  734   1HG1  VAL  88          3HG1      VAL  88   4.644   6.790  -3.531
  735   2HG1  VAL  88          2HG1      VAL  88   5.707   7.133  -2.167
  736   3HG1  VAL  88          1HG1      VAL  88   5.261   5.469  -2.540
  737   1HG2  VAL  88          3HG2      VAL  88   4.217   8.262  -0.346
  738   2HG2  VAL  88          2HG2      VAL  88   3.377   6.948   0.479
  739   3HG2  VAL  88          1HG2      VAL  88   5.074   6.766   0.029
  740    H    LEU  89           H        LEU  89   0.714   8.196  -3.853
  741    HA   LEU  89           HA       LEU  89  -0.168   5.717  -4.837
  742   1HB   LEU  89          2HB       LEU  89  -0.116   8.473  -5.997
  743   2HB   LEU  89          1HB       LEU  89  -0.538   7.129  -7.061
  744    HG   LEU  89           HG       LEU  89  -1.883   7.895  -4.460
  745   1HD1  LEU  89          3HD1      LEU  89  -2.648   7.925  -7.384
  746   2HD1  LEU  89          2HD1      LEU  89  -3.878   7.900  -6.120
  747   3HD1  LEU  89          1HD1      LEU  89  -2.737   9.242  -6.214
  748   1HD2  LEU  89          1HD2      LEU  89  -2.096   5.421  -6.189
  749   2HD2  LEU  89          3HD2      LEU  89  -1.896   5.522  -4.440
  750   3HD2  LEU  89          2HD2      LEU  89  -3.440   5.948  -5.175
  751    H    ALA  90           H        ALA  90   1.397   4.196  -5.267
  752    HA   ALA  90           HA       ALA  90   3.138   4.711  -7.628
  753   1HB   ALA  90          3HB       ALA  90   3.955   3.926  -4.852
  754   2HB   ALA  90          2HB       ALA  90   4.896   3.347  -6.222
  755   3HB   ALA  90          1HB       ALA  90   4.709   5.079  -5.945
  756    H    TYR  91           H        TYR  91   4.093   2.665  -8.477
  757    HA   TYR  91           HA       TYR  91   2.165   0.416  -8.153
  758   1HB   TYR  91          2HB       TYR  91   3.927   1.275 -10.454
  759   2HB   TYR  91          1HB       TYR  91   3.132  -0.301 -10.406
  760    HD1  TYR  91           HD2      TYR  91   2.256   3.285  -9.689
  761    HD2  TYR  91           HD1      TYR  91   1.048  -0.441 -11.450
  762    HE1  TYR  91           HE2      TYR  91   0.118   4.314 -10.385
  763    HE2  TYR  91           HE1      TYR  91  -1.096   0.590 -12.146
  764    HH   TYR  91           HH       TYR  91  -1.679   3.518 -12.562
  765    H    ILE  92           H        ILE  92   2.923  -1.637  -7.671
  766    HA   ILE  92           HA       ILE  92   5.820  -1.806  -6.934
  767    HB   ILE  92           HB       ILE  92   3.721  -3.492  -5.599
  768   1HG1  ILE  92          2HG1      ILE  92   2.861  -1.152  -5.497
  769   2HG1  ILE  92          1HG1      ILE  92   3.329  -1.761  -3.912
  770   1HG2  ILE  92          1HG2      ILE  92   6.365  -2.274  -4.772
  771   2HG2  ILE  92          3HG2      ILE  92   5.319  -3.188  -3.685
  772   3HG2  ILE  92          2HG2      ILE  92   6.030  -3.975  -5.094
  773   1HD1  ILE  92          2HD1      ILE  92   5.630  -0.560  -5.119
  774   2HD1  ILE  92          1HD1      ILE  92   4.285   0.571  -5.246
  775   3HD1  ILE  92          3HD1      ILE  92   4.767  -0.052  -3.668
  776    H    TYR  93           H        TYR  93   6.853  -3.194  -8.289
  777    HA   TYR  93           HA       TYR  93   5.366  -5.623  -9.224
  778   1HB   TYR  93          2HB       TYR  93   7.854  -4.595 -10.578
  779   2HB   TYR  93          1HB       TYR  93   6.584  -5.625 -11.228
  780    HD1  TYR  93           HD2      TYR  93   4.191  -4.044 -10.250
  781    HD2  TYR  93           HD1      TYR  93   7.841  -2.855 -12.149
  782    HE1  TYR  93           HE2      TYR  93   3.068  -2.043 -11.152
  783    HE2  TYR  93           HE1      TYR  93   6.723  -0.860 -13.059
  784    HH   TYR  93           HH       TYR  93   4.643   0.584 -12.348
  785    H    ALA  94           H        ALA  94   5.988  -6.604  -7.183
  786    HA   ALA  94           HA       ALA  94   8.843  -7.006  -6.751
  787   1HB   ALA  94          2HB       ALA  94   7.214  -6.528  -4.882
  788   2HB   ALA  94          1HB       ALA  94   6.515  -8.115  -5.173
  789   3HB   ALA  94          3HB       ALA  94   8.189  -7.977  -4.638
  790    H    ASP  95           H        ASP  95   9.797  -8.605  -7.838
  791    HA   ASP  95           HA       ASP  95  10.117 -10.597  -9.060
  792   1HB   ASP  95          2HB       ASP  95   8.487 -11.397  -6.663
  793   2HB   ASP  95          1HB       ASP  95   9.019 -12.593  -7.841
  794    H    GLY  96           H        GLY  96   7.758  -8.926  -9.842
  795   1HA   GLY  96          2HA       GLY  96   6.187 -11.072 -11.194
  796   2HA   GLY  96          1HA       GLY  96   5.360  -9.731 -10.407
  797    H    LYS  97           H        LYS  97   6.714  -7.571 -11.070
  798    HA   LYS  97           HA       LYS  97   6.763  -5.988 -12.831
  799   1HB   LYS  97          2HB       LYS  97   8.017  -8.365 -14.240
  800   2HB   LYS  97          1HB       LYS  97   8.008  -6.720 -14.876
  801   1HG   LYS  97          2HG       LYS  97   9.736  -6.120 -13.561
  802   2HG   LYS  97          1HG       LYS  97   8.937  -6.758 -12.125
  803   1HD   LYS  97          2HD       LYS  97  10.454  -8.423 -12.108
  804   2HD   LYS  97          1HD       LYS  97   9.727  -9.022 -13.598
  805   1HE   LYS  97          2HE       LYS  97  11.965  -8.717 -14.224
  806   2HE   LYS  97          1HE       LYS  97  11.219  -7.212 -14.759
  807   1HZ   LYS  97          1HZ       LYS  97  12.637  -7.614 -12.178
  808   2HZ   LYS  97          3HZ       LYS  97  13.264  -6.810 -13.533
  809   3HZ   LYS  97          2HZ       LYS  97  11.928  -6.163 -12.706
  810    H    MET  98           H        MET  98   4.463  -7.925 -12.488
  811    HA   MET  98           HA       MET  98   3.341  -8.242 -15.186
  812   1HB   MET  98          2HB       MET  98   1.353  -9.139 -13.900
  813   2HB   MET  98          1HB       MET  98   2.850 -10.018 -13.598
  814   1HG   MET  98          2HG       MET  98   3.200  -8.666 -11.530
  815   2HG   MET  98          1HG       MET  98   1.663  -7.856 -11.823
  816   1HE   MET  98          3HE       MET  98   3.520 -11.098 -11.420
  817   2HE   MET  98          2HE       MET  98   2.335 -12.304 -10.923
  818   3HE   MET  98          1HE       MET  98   2.362 -11.741 -12.592
  819    H    VAL  99           H        VAL  99   2.814  -6.402 -12.215
  820    HA   VAL  99           HA       VAL  99   0.647  -4.786 -13.239
  821    HB   VAL  99           HB       VAL  99   2.631  -4.248 -11.000
  822   1HG1  VAL  99          1HG1      VAL  99   1.474  -2.243 -11.879
  823   2HG1  VAL  99          3HG1      VAL  99  -0.073  -3.033 -11.579
  824   3HG1  VAL  99          2HG1      VAL  99   0.989  -2.629 -10.229
  825   1HG2  VAL  99          3HG2      VAL  99  -0.109  -5.535 -11.055
  826   2HG2  VAL  99          2HG2      VAL  99   1.403  -6.259 -10.507
  827   3HG2  VAL  99          1HG2      VAL  99   0.660  -4.960  -9.575
  828    H    ASN 100           H        ASN 100   4.066  -4.894 -13.629
  829    HA   ASN 100           HA       ASN 100   4.716  -2.193 -14.243
  830   1HB   ASN 100          2HB       ASN 100   6.230  -4.315 -14.106
  831   2HB   ASN 100          1HB       ASN 100   5.849  -4.505 -15.814
  832   1HD2  ASN 100          2HD2      ASN 100   7.548  -1.369 -16.681
  833   2HD2  ASN 100          1HD2      ASN 100   6.106  -2.183 -17.048
  834    H    GLU 101           H        GLU 101   2.646  -1.534 -15.292
  835    HA   GLU 101           HA       GLU 101   2.000  -2.504 -17.960
  836   1HB   GLU 101          2HB       GLU 101   0.715  -0.968 -15.983
  837   2HB   GLU 101          1HB       GLU 101   0.914   0.118 -17.357
  838   1HG   GLU 101          2HG       GLU 101  -0.270  -1.334 -18.819
  839   2HG   GLU 101          1HG       GLU 101  -0.160  -2.687 -17.689
  840    H    ALA 102           H        ALA 102   4.136  -0.063 -16.679
  841    HA   ALA 102           HA       ALA 102   4.263   1.782 -18.818
  842   1HB   ALA 102          2HB       ALA 102   5.445   2.011 -16.613
  843   2HB   ALA 102          1HB       ALA 102   6.611   0.808 -17.164
  844   3HB   ALA 102          3HB       ALA 102   6.477   2.353 -18.002
  845    H    LEU 103           HN       LEU 103   5.166   1.717 -20.835
  846    HA   LEU 103           HA       LEU 103   5.781  -0.782 -22.060
  847   1HB   LEU 103          2HB       LEU 103   6.219   0.429 -24.057
  848   2HB   LEU 103          1HB       LEU 103   4.960   1.323 -23.221
  849    HG   LEU 103           HG       LEU 103   6.488   2.954 -24.029
  850   1HD1  LEU 103          3HD1      LEU 103   5.809   3.345 -21.696
  851   2HD1  LEU 103          2HD1      LEU 103   7.231   2.469 -21.134
  852   3HD1  LEU 103          1HD1      LEU 103   7.421   3.981 -22.013
  853   1HD2  LEU 103          3HD2      LEU 103   8.357   0.962 -24.026
  854   2HD2  LEU 103          2HD2      LEU 103   8.721   2.665 -24.293
  855   3HD2  LEU 103          1HD2      LEU 103   8.922   1.963 -22.688
   
  No H/Q in entry =         855
   
  No H/Q in entry =         855