*HEADER   CHAPERONE                               07-OCT-96   1XBL    
*TITLE    NMR STRUCTURE OF THE J-DOMAIN (RESIDUES 2-76) IN THE        
*TITLE   2 ESCHERICHIA COLI N-TERMINAL FRAGMENT (RESIDUES 2-108) OF   
*TITLE   3 THE MOLECULAR CHAPERONE DNAJ, 20 STRUCTURES                
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: DNAJ;                                            
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: N-TERMINAL FRAGMENT (RESIDUES 2-108) OF THE      
*COMPND  5 MOLECULAR CHAPERONE DNAJ;                                  
*COMPND  6 ENGINEERED: YES;                                           
*COMPND  7 BIOLOGICAL_UNIT: HOMODIMER                                 
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  3 EXPRESSION_SYSTEM: ESCHERICHIA COLI                        
*KEYWDS   CHAPERONE, DNA REPLICATION, HEAT SHOCK, REPEAT              
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   M.PELLECCHIA,T.SZYPERSKI,D.WALL,C.GEORGOPOULOS,K.WUTHRICH   
*REVDAT  1   11-JAN-97 1XBL    0                                      


JRNL        AUTH   MAURIZIO PELLECCHIA,THOMAS SZYPERSKI,                  
JRNL        AUTH 2 DANIEL WALL,COSTA GEORGOPOULOS,KURT WUTHRICH         
JRNL        TITL   NMR STRUCTURE OF THE J-DOMAIN AND THE GLY/PHE RICH   
JRNL        TITL 2 REGION OF THE  ESCHERICHIA COLI DNAJ CHAPERONE     
JRNL        REF    J.MOL.BIOL.                   V. 260  236  1996    
JRNL        REFN   ASTM JMOBAK  UK ISSN 0022-2836                  070  
REMARK   1                                                              
REMARK   1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION   
REMARK   1 OF THE THREE-DIMENSIONAL STRUCTURE OF THE J-DOMAIN IN THE   
REMARK   1 MOLECULAR CHAPERONE DNAJ(2-108) FROM ESCHERICHIA COLI BY 
REMARK   1 NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY IN SOLUTION. THE
REMARK   1 THE DIFFERENT KINDS OF DATA, TOGETHER WITH THE CORRESPONDING       
REMARK   1 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE.                                     
REMARK   1 SEE REMARK 2 FOR THE DETAILS.                                                             
REMARK   1 NOTE: THIS FILE CONTAINS ALL THE NMR CONTRAINTS USED TO
REMARK   1 CALCULATE THE STRUCTURE OF THE J-DOMAIN (RESIDUES 2 TO 76)
REMARK   1 IN THE FRAGMENT 2 TO 108. THE REGION COMPRISING RESIDUES
REMARK   1 77 TO 108 (CALLED GLY/PHE RICH REGION) IS FLEXIBLY
REMARK   1 DISORDERED IN SOLUTION (T. SZYPERSKI, M. PELLECCHIA.
REMARK   1 D. WALL, C. GEORGOPOULOS, AND K. WUTHRICH (1994) PROC. NATL.
REMARK   1 ACAD. SCI. USA VOL. 91, 11343-11347).THEREFORE, FOR RESIDUES 77-108
REMARK   1 ONLY CHEMICAL SHIFTS DATA ARE REPORTED.
REMARK   1
REMARK   1 RECORD CONTENT                                     UNIT      
REMARK   1 ------ ------------------------------------------- --------- 
REMARK   1 SHIFTH  CHEMICAL SHIFTS OF THE ASSIGNED PROTONS     PPM 
REMARK   1 SHIFTNC CHEMICAL SHIFTS OF THE ASSIGNED NITROGEN15
REMARK   1 AND CARBON13 NUCLEI                                 PPM
REMARK   1 JCOUPL VICINAL 1H-1H SCALAR COUPLING CONSTANTS      HERTZ     
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES       ANGSTROMS 
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF     DEGREES   
REMARK   1        AN ALLOWED INTERVAL                                   
REMARK   1                                                              
REMARK   1 ALL EXPERIMENTAL INPUT DATA (EXCEPT FOR THE AMINO ACID       
REMARK   1 SEQUENCE) IS GIVEN IN THE RECORDS NOEUPP, AND ANGLE.  
REMARK   1 COUPLING CONSTANS AND ANGLE CONSTRAINTS THAT WERE NOT 
REMARK   1 USED IN THE REFINEMENT
REMARK   1 ARE NOT LISTED.                                  
REMARK   2                                                              
REMARK   2                                                              
REMARK   2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE        
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS.            
REMARK   2 
REMARK   2 VICINAL 1H-1H J COUPLINGS, NOE UPPER DISTANCE CONSTRAINTS
REMARK   2 AND ANGLE CONSTRAINTS ARE GIVEN IN THE FORMAT FOR THE 
REMARK   2 PROGRAMS HABAS (P. GUNTERT, W. BRAUN, M. BILLETER, AND
REMARK   2 K. WUTHRICH (1989) J. AM. CHEM. SOC. VOL. 111, 3997-4004)
REMARK   2 AND DIANA (P. GUNTERT, W. BRAUN, AND K. WUTHRICH (1991)
REMARK   2 J. MOL. BIOL. VOL. 217, 517-530)                                                       
REMARK   2
REMARK   2 RECORD CONTENTS                             
REMARK   2 ------ ----------------------------------------------------- 
REMARK   2 SHIFTH   RESIDUE NAME, RESIDUE NUMBER, BACKBONE HN CHEMICAL SHIFT,    
REMARK   2          HA CHEMICAL SHIFT(S), HB CHEMICAL SHIFT(S), ATOM NAME,    
REMARK   2          CHEMICAL SHIFT(S). 
REMARK   2 SHIFTNC  RESIDUE NAME, RESIDUE NUMBER, BACKBONE N CHEMICAL SHIFT,    
REMARK   2          CA CHEMICAL SHIFT, CB CHEMICAL SHIFT, ATOM NAME,    
REMARK   2          CHEMICAL SHIFT(S).                                    
REMARK   2 JCOUPL   RESIDUE NUMBER, RESIDUE NAME, FIRST AND SECOND ATOM   
REMARK   2          NAME, J-COUPLING CONSTANT.        
REMARK   2 NOEUPP   FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM  
REMARK   2          NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     
REMARK   2          SECOND ATOM NAME, UPPER DISTANCE LIMIT             
REMARK   2 ANGLE    RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND   
REMARK   2          UPPER BOUND.             
REMARK   3                                                              
REMARK   3 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS  
REMARK   3 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY     
REMARK   3 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE         
REMARK   3 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM  
REMARK   3 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE   
REMARK   3 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER    
REMARK   3 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES.            
REMARK   4                                                              
REMARK   4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE     
REMARK   4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                
REMARK   4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)    
REMARK   4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL     
REMARK   4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR     
REMARK   4 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAD BEEN OBTAINED.       
REMARK   4 FOR ALL METHYLENE GROUPS, EVEN IN CASE OF IDENTICAL SHIFTS,  
REMARK   4 TWO CHEMICAL SHIFTS ARE LISTED FOR THE TWO PROTONS.          
REMARK   4 TWO CHEMICAL SHIFTS ARE ALSO ALWAYS GIVEN FOR THE TWO        
REMARK   4 METHYLS IN THE ISOPROPYL GROUPS.                             
REMARK   5                                                              
REMARK   5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE         
REMARK   5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN         
REMARK   5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...         
REMARK   5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF    
REMARK   5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS  
REMARK   5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE      
REMARK   5 HYDROGEN  ATOMS ARE ATTACHED.                                
REMARK   5 QQG AND QQD DENOTE THE PSEUDO-ATOMS FOR THE 6 HYDROGEN       
REMARK   5 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL AND LEU, RESPEC- 
REMARK   5 TIVELY. QR IS THE PSEUDO-ATOM FOR THE DELTA AND EPSILON      
REMARK   5 HYDROGENS OF THE AROMATIC RINGS OF TYR AND PHE. WHERE THE    
REMARK   5 DELTA AND EPSILON HYDROGENS OF THE AROMATIC RINGS HAVE BEEN  
REMARK   5 INDIVIDUALLY IDENTIFIED BUT ARE DEGENERATE IN THE ONE AND    
REMARK   5 TWO POSITIONS, THE CHEMICAL SHIFTS WERE LISTED UNDER CG AND  
REMARK   5 CZ RESPECTIVELY. 
REMARK   6
REMARK   6 THE CHEMICAL SHIFTS ARE IN PPM RELATIVE TO INTERNAL
REMARK   6 2,2-DIMETHYL-2-SILAPENTANE-5-SULONATE SODIUM SALT (DSS). 
REMARK   6 13C AND 15N CHEMICAL SHIFTS ARE IN PPM RELATIVE TO
REMARK   6 EXTERNAL DSS WITH THE FOLLOWING Z RATIOS  13C/1H = 0.251449530,  
REMARK   6 15N/1H = 0.101329118 (D. S. WISHART,  C. G. BIGAM,  J. YAO,
REMARK   6 F. ABILDGAARD, H. J. DYSON, E.  OLDFIELD,  J. L. MARKLEY,
REMARK   6 AND  B. D. SYKES (1995) J. BIOMOL. NMR VOL. 6, 135-140.
REMARK   6
SHIFTH     ALA 2 4.07 1.49
SHIFTH     LYS 3 4.18 1.17, 1.41 Hg 1.17, 1.27; Hd 1.36, 1.36; He 2.89, 2.89
SHIFTH     GLN 4 8.44 4.24 1.89, 1.96 Hg 2.43,2.43; He2 6.79, 7.67
SHIFTH     ASP 5 8.80 4.53 2.73, 3.11
SHIFTH     TYR 6 7.22 4.30 1.89, 2.63 Hd 5.96, 5.96; He 6.59, 6.59
SHIFTH     TYR 7 7.58 3.86 3.20,3.20 Hd 7.38, 7.38; He 6.91, 6.91
SHIFTH     GLU 8 7.85 4.16 2.21, 2.29 Hg 2.33, 2.55
SHIFTH     ILE 9 8.11 3.68 1.93 Hg1 1.10, 1.63; Hg2 0.85; Hd 0.84
SHIFTH     LEU 10 6.93 4.34 1.59, 1.77 Hg 1.80; Hd 0.83, 0.99
SHIFTH     GLY 11 7.99 3.93, 3.93
SHIFTH     VAL 12 7.82 4.79 2.29 Hg 0.80, 1.00
SHIFTH     SER 13 8.27 4.41 3.72, 3.94
SHIFTH     LYS 14 8.17 2.54 1.44, 1.44 Hg 1.08, 1.21; Hd 1.51, 1.51; He 2.93, 2.98
SHIFTH     THR 15 7.30 4.20 4.55 Hg2 1.04
SHIFTH     ALA 16 7.53 4.18 1.52
SHIFTH     GLU 17 8.94 4.54 2.10, 2.43 Hg 2.49, 2.49
SHIFTH     GLU 18 9.17 3.82 2.06, 2.28 Hg 2.17, 2.28
SHIFTH     ARG 19 8.94 4.08 1.86, 1.99 Hg 1.64, 1.75; Hd 3.26, 3.26
SHIFTH     GLU 20 7.42 4.18 2.22, 2.37 Hg 2.36, 2.44 
SHIFTH     ILE 21 7.81 3.61 1.97 Hg1 0.89, 1.75; Hg2 0.81; Hd 0.80
SHIFTH     ARG 22 8.57 4.23 1.88, 2.00 Hg 1.64, 1.74; Hd 3.24, 3.38
SHIFTH     LYS 23 7.81 4.00 1.95, 1.95 Hg 1.46, 1.67; Hd 1.67, 1.74; He 3.01, 3.01
SHIFTH     ALA 24 7.99 4.17 1.67
SHIFTH     TYR 25 8.35 3.952.80, 2.80 Hd 6.20, 6.20; He 6.37, 6.37
SHIFTH     LYS 26 8.06 3.47 1.86, 1.86 Hg 1.37, 1.56; He 2.94, 2.94
SHIFTH     ARG 27 7.57 4.03 1.94, 1.94 Hg 1.56, 1.73; Hd 3.25, 3.25
SHIFTH     LEU 28 7.99 4.10 1.57, 1.92 Hg 1.91; Hd 1.02, 1.08
SHIFTH     ALA 29 9.13 3.87 0.95
SHIFTH     MET 30 7.27 4.12 2.06, 2.11 Hg 2.54, 2.66; He 2.01
SHIFTH     LYS 31 7.26 3.94 1.55, 1.60 Hg 0.60, 1.10; Hd 1.33, 1.47; He 2.79, 2.86
SHIFTH     TYR 32 7.80 4.49 2.46, 3.44 Hd 7.09, 7.09; He 6.86, 6.86
SHIFTH     HIS 33 7.44 3.94 2.70, 3.22
SHIFTH     PRO 34 4.16 1.84, 2.15 Hg 1.66, 1.66; Hd 2.24, 2.75
SHIFTH     ASP 35 10.02 4.49 2.67, 2.67
SHIFTH     ARG 36 7.84 4.42 1.65, 1.96 Hg 1.55, 1.55; Hd 3.16, 3.16 
SHIFTH     ASN 37 7.76 4.88 2.46, 2.76 Hd2 6.98, 7.68
SHIFTH     GLN 38 8.49 4.16 2.03, 2.11Hg 2.39, 2.39; He2 6.79, 7.50
SHIFTH     GLY 39 8.77 3.83, 4.02
SHIFTH     ASP 40 7.71 4.73 2.58, 2.96
SHIFTH     LYS 41 8.80 4.14 1.90, 1.90Hg 1.54, 1.60; Hd 1.71, 1.71; He 3.03, 3.03
SHIFTH     GLU 42 8.37 4.22 2.16, 2.16 Hg 2.28, 2.35
SHIFTH     ALA 43 7.99 4.07 1.59
SHIFTH     GLU 44 7.91 4.08 2.13, 2.13 Hg 2.21, 2.40
SHIFTH     ALA 45 7.76 4.13 1.53
SHIFTH     LYS 46 7.99 3.99 1.27, 1.54 Hg 1.18, 1.26; Hd 1.45, 1.45; He 2.82, 2.82
SHIFTH     PHE 47 8.66 4.05 3.07, 3.21 Hz 7.07, 7.07
SHIFTH     LYS 48 7.94 3.78 1.95, 1.95 Hg 1.45, 1.69; Hd 1.71, 1.71; He 2.98, 2.98 
SHIFTH     GLU 49 7.47 4.14 2.11, 2.21 Hg 2.32, 2.46
SHIFTH     ILE 50 7.85 3.62 1.81 Hg1 1.14, 1.67; Hg2 0.94; Hd 0.79
SHIFTH     LYS 51 8.11 3.80 1.42, 1.63 Hg 1.27, 1.27; Hd 1.53, 1.60; He 2.85
SHIFTH     GLU 52 7.60 3.77 1.97, 2.08 Hg 1.90, 2.19
SHIFTH     ALA 53 7.49 2.70 1.35
SHIFTH     TYR 54 8.05 3.57 2.55, 2.55 Hd 6.33, 6.33; He 6.40, 6.40
SHIFTH     GLU 55 8.17 3.25 1.76, 1.92 Hg 2.05, 2.39
SHIFTH     VAL 56 7.23 3.29  1.08 Hg 0.41, 0.46
SHIFTH     LEU 57 7.57 3.73 1.21, 1.46 Hg 1.42; Hd 0.12, 0.28
SHIFTH     THR 58 7.14 4.05 4.05 Hg2 0.72
SHIFTH     ASP 59 6.99 4.84 2.49, 2.94
SHIFTH     SER 60 8.96 3.95 4.01, 4.01
SHIFTH     GLN 61 8.12 4.28 2.18, 2.23 Hg 2.38, 2.52; He2 6.85, 7.60
SHIFTH     LYS 62 8.47 4.23 1.89, 2.40 Hg 1.36, 1.62; Hd 1.52, 1.52; He 2.86, 2.86
SHIFTH     ARG 63 9.42 3.72 1.76, 1.76 Hg 2.13, 2.13; Hd 3.16, 3.56
SHIFTH     ALA 64 7.55 4.26 1.56
SHIFTH     ALA 65 7.70 4.27 1.59
SHIFTH     TYR 66 8.97 4.14 3.17, 3.17 Hd 6.98, 6.98; He 6.27, 6.27
SHIFTH     ASP 67 9.28 4.36 2.61, 2.67
SHIFTH     GLN 68 7.48 4.04 1.41, 1.75 Hg 1.56, 1.91; He2 6.64, 7.03
SHIFTH     TYR 69 8.41 4.68 2.64, 3.11 Hd 7.16, 7.16; He 6.78, 6.78
SHIFTH     GLY 70 8.43 3.22, 3.95
SHIFTH     HIS 71 8.46 4.51 3.07, 3.27
SHIFTH     ALA 72 8.14 4.20 1.45
SHIFTH     ALA 73 7.66 3.85 0.93
SHIFTH     PHE 74 7.57 4.74 2.99, 3.44 Hg 7.39, 7.39 
SHIFTH     GLU 75 7.62 4.33 1.95, 2.08 Hg 2.29, 2.35
SHIFTH     GLN 76 8.46 4.27 1.98, 2.12 Hg 2.34, 2.34; He2 6.77, 7.47
SHIFTH     GLY 77 8.42 3.92, 3.92 
SHIFTH     GLY 78 8.18 3.91, 3.91
SHIFTH     MET 79 8.25 4.39 1.88, 2.01 Hg 2.40, 2.48; He 1.97
SHIFTH     GLY 80 8.40 3.90, 3.90
SHIFTH     GLY 83 8.19 3.87, 3.87
SHIFTH     PHE 84 8.16 4.32 3.00, 3.14 Hd 7.19, 7.19
SHIFTH     GLY 85 8.44 3.90, 3.90
SHIFTH     GLY 87 8.26 3.91, 3.91
SHIFTH     ALA 88 8.15 4.26 1.27
SHIFTH     ASP 89 8.23 4.53 2.49, 2.58
SHIFTH     PHE 90 8.18 4.52 2.97, 3.15 Hd 7.19, 7.19
SHIFTH     SER 91 8.23 4.30 3.79, 3.84
SHIFTH     ASP 92 8.23 4.56 2.63, 2.63
SHIFTH     ILE 93 7.74 3.99 1.65 Hg1 0.96, 1.09; Hg2 0.58; Hd 0.67 
SHIFTH     PHE 94 8.06 4.61 2.93, 3.18 Hd 7.19, 7.19
SHIFTH     GLY 95 8.07 3.91, 3.91
SHIFTH     ASP 96 8.21 4.53 2.54, 2.64
SHIFTH     VAL 97 7.92 3.98 1.93 Hg 0.67, 0.71
SHIFTH     PHE 98 8.21 4.60 2.93, 3.17 Hd 7.19, 7.19
SHIFTH     GLY 99 8.11 3.89, 3.89
SHIFTH     ASP 100 8.19 4.59  2.66, 2.66
SHIFTH     ILE 101 7.91 4.00 1.67 Hg1 0.96, 1.06; Hg2 0.60; Hd 0.69
SHIFTH     PHE 102 8.19 4.60 2.93, 3.16 Hd 7.19, 7.19
SHIFTH     GLY 103 8.16 3.92, 3.92
SHIFTH     ARG 106 8.15 4.57 1.64, 1.79
SHIFTH     GLY 107 8.43 3.90, 3.90                                               
SHIFTNC    ALA 2 51.9 19.2
SHIFTNC    LYS 3 56.4 32.8 13Cg 24.7; 13Cd 28.9; 13Ce 41.8
SHIFTNC    GLN 4 123.3 55.8 30.3 13Cg 34.4; 15Ne2 112.2
SHIFTNC    ASP 5 123.6 53.7 43.1
SHIFTNC    TYR  6 122.9 58.3 38.3 13Cd 130.6; 13Ce 118.8
SHIFTNC    TYR  7 115.4 62.2 35.4 13Cg 134.0; 13Cz 118.6
SHIFTNC    GLU 8 119.7 59.1 30.2 13Cg 36.6
SHIFTNC    ILE 9 120.6 64.8 37.6 13Cg1 29.2; 13Cg2 18.2; 13Cd 14.0
SHIFTNC    LEU 10 115.4 54.6 43.0 13Cg 26.9; 13Cd 23.7, 26.9
SHIFTNC    GLY 11 108.9 46.5
SHIFTNC    VAL 12 110.8 57.1 35.1 13Cg 18.8, 21.8
SHIFTNC    SER 13 115.4 57.2 64.2
SHIFTNC    LYS 14 121.5 57.7 32.1 13Cg 25.0; 13Cd 29.2; 13Ce 42.1
SHIFTNC    THR 15 127.7 59.9 68.0 13Cg 21.4
SHIFTNC    ALA 16 125.1 53.1 19.5
SHIFTNC    GLU 17 120.8 55.4 31.2 13Cg 36.6
SHIFTNC    GLU 18 124.0 60.9 29.5 13Cg 36.6
SHIFTNC    ARG 19 116.5 59.7 29.7 13Cg 26.9; 13Cd 43.4
SHIFTNC    GLU 20 119.8 58.7 30.0 13Cg 36.6
SHIFTNC    ILE 21 122.9 66.1 37.9 13Cg1 30.2; 13Cg2 17.9; 13Cd 13.3
SHIFTNC    ARG 22 118.6 60.5 29.2 13Cd 43.1
SHIFTNC    LYS 23 119.7 59.9 32.5 13Cg 25.5; 13Cd 29.2; 13Ce 41.8
SHIFTNC    ALA 24 122.9 55.1 18.5
SHIFTNC    TYR 25 117.2 61.5 39.3 13Cg 132.5; 13Cz 117.4
SHIFTNC    LYS 26 117.9 59.8 32.1 13Cg 25.3; 13Ce 42.1
SHIFTNC    ARG 27 117.2 59.2 30.2 13Cg 27.6
SHIFTNC    LEU 28 121.1 57.4 42.6 13Cg 27.3; 13Cd 23.1, 26.9
SHIFTNC    ALA 29 122.9 55.1 17.2
SHIFTNC    MET 30 113.7 57.7 32.3 13Cg 32.1; 13Ce 16.6
SHIFTNC    LYS 31 118.8 58.5 32.8 13Cg 24.3; 13Cd 29.2; 13Ce 41.8
SHIFTNC    TYR 32 115.1 58.5 38.8 13Cg 133.0; 13Cz 118.5
SHIFTNC    HIS 33 120.5 56.3 30.7 
SHIFTNC    PRO 34 65.1 31.8 13Cg 26.9; 13Cd 50.2
SHIFTNC    ASP 35 120.4 56.1 40.4 
SHIFTNC    ARG 36 117.6 55.9 30.8 13Cg 26.9; 13Cd 43.1
SHIFTNC    ASN 37 119.4 52.9 40.4 15Nd2 115.7
SHIFTNC    GLN 38 121.1 57.5 28.4 13Cg 34.0; 15Ne2 112.9
SHIFTNC    GLY 39 111.2 45.5
SHIFTNC    ASP 40 120.1 53.4 41.6 
SHIFTNC    LYS 41 126.5 58.7 32.1 13Cg 24.7; 13Cd 28.6; 13Ce 42.1
SHIFTNC    GLU 42 121.5 58.9 29.0 13Cg 36.3
SHIFTNC    ALA 43 123.6 55.2 17.9
SHIFTNC    GLU 44 117.6 59.5 29.8 13Cg 36.3
SHIFTNC    ALA 45 122.1 55.0 18.1
SHIFTNC    LYS 46 119.4 58.4 31.4 13Cg 24.7; 13Cd 28.2; 13Ce 41.8
SHIFTNC    PHE 47 120.1 61.3 38.7
SHIFTNC    LYS 48 118.3 60.3 32.4 13Cg 25.5; 13Cd 29.5; 13Ce 41.8
SHIFTNC    GLU 49 119.0 59.0 29.8 13Cg 36.3
SHIFTNC    ILE 50 119.7 65.1 38.3 13Cg1 29.2; 13Cg2 17.9; 13Cd 15.6
SHIFTNC    LYS 51 121.2 59.9 32.3 13Cg 24.7; 13Cd 29.5; 13Ce 41.8
SHIFTNC    GLU 52 119.4 59.3 29.6 13Cg 36.0 
SHIFTNC    ALA 53 119.0 54.5 18.8
SHIFTNC    TYR 54 117.2 60.9 39.2 13Cd 132.3; 13Ce 118.0
SHIFTNC    GLU 55 120.4 59.0 29.0 13Cg 37.0
SHIFTNC    VAL 56 117.2 66.0 31.4 13Cg 20.9, 22.4
SHIFTNC    LEU 57 111.1 56.5 41.9 13Cg 25.6; 13Cd 25.0, 22.1
SHIFTNC    THR 58 126.8 61.5 68.7 13Cg 22.1
SHIFTNC    ASP 59 124.0 52.7 43.3
SHIFTNC    SER 60 121.5 62.5 62.5
SHIFTNC    GLN 61 121.1 59.0 28.8 13Cg 34.6; 15Ne2 112.9
SHIFTNC    LYS 62 123.3 60.2 33.1 13Cg 26.9; 13Cd 30.2; 13Ce 42.5
SHIFTNC    ARG 63 122.2 60.7 29.5 13Cd 43.8
SHIFTNC    ALA 64 119.0 55.0 17.9
SHIFTNC    ALA 65 121.3 55.1 18.2
SHIFTNC    TYR 66 121.5 61.5 38.5 13Cd 132.7; 13Ce 118.7
SHIFTNC    ASP 67 121.5 57.0 39.8
SHIFTNC    GLN 68 117.6 57.9 29.5 13Cg 33.1; 15Ne2 111.1
SHIFTNC    TYR 69 115.6 58.0 40.3 13Cd 133.3; 13Ce 118.0
SHIFTNC    GLY 70 111.5 45.3
SHIFTNC    HIS 71 120.1 59.7 30.3
SHIFTNC    ALA 72 121.5 54.0 18.2
SHIFTNC    ALA 73 119.0 53.6 18.5
SHIFTNC    PHE 74 115.2 56.7 39.4 13Cd 132.3
SHIFTNC    GLU 75 120.8 56.6 30.6 13Cg 36.4
SHIFTNC    GLN 76 120.8 56.4 29.0 13Cg 33.8; 15Ne2 112.9
SHIFTNC    GLY 77 110.1 45.5
SHIFTNC    GLY 78 108.7 45.4
SHIFTNC    MET 79 119.7 55.7 32.6 13Cg 32.1; 13Ce 16.9
SHIFTNC    GLY 80 109.7 45.4
SHIFTNC    GLY 83 108.7 45.3
SHIFTNC    PHE 84 120.1 56.2 39.1
SHIFTNC    GLY 85 110.5 45.3
SHIFTNC    GLY 87 108.7 45.2
SHIFTNC    ALA 88 124.0 52.4 19.4
SHIFTNC    ASP 89 119.4 54.1 41.2
SHIFTNC    PHE 90 121.2 58.0 39.1
SHIFTNC    SER 91 116.8 59.2 63.7
SHIFTNC    ASP 92 122.2 54.6 41.0
SHIFTNC    ILE 93 119.1 61.9 38.5 13Cg1 26.9; 13Cg2 17.2; 13Cd 13.0
SHIFTNC    PHE 94 121.1 57.9 39.4
SHIFTNC    GLY 95 109.4 45.5 
SHIFTNC    ASP 96 120.8 54.141.1
SHIFTNC    VAL 97 119.4 62.8 32.4 13Cg 20.3, 21.0
SHIFTNC    PHE 98 121.9 58.0 39.2
SHIFTNC    GLY 99 109.4 45.5
SHIFTNC    ASP 100 120.8 54.2 41.2
SHIFTNC    ILE 101 120.0 62.0 38.3 13Cg1 26.9; 13Cg2 17.2; 13Cd 13.0
SHIFTNC    PHE 102 121.5 57.9 39.2
SHIFTNC    GLY 103 110.4 45.6
SHIFTNC    ARG 106 120.1
SHIFTNC    GLY 107 111.2 45.2
SHIFTNC    ARG 108 125.4 57.3 31.4 13Cg 25.5; 15Ne 85.8                                          
JCOUPL   4 GLN  HN   HA    5.5
JCOUPL   5 ASP- HN   HA    5.5
JCOUPL   6 TYR  HN   HA    5.8
JCOUPL   7 TYR  HN   HA    5.7
JCOUPL   8 GLU- HN   HA    6.0
JCOUPL   9 ILE  HN   HA    5.3
JCOUPL  10 LEU  HA   HB2   8.0 
JCOUPL  10 LEU  HA   HB3   4.0  
JCOUPL  10 LEU  N    HB3   4.0  
JCOUPL  10 LEU  N    HB2   1.0  
JCOUPL  12 VAL  HN   HA    9.1
JCOUPL  13 SER  HN   HA    6.3
JCOUPL  15 THR  HN   HA    8.4
JCOUPL  16 ALA  HN   HA    5.5
JCOUPL  17 GLU- HN   HA    6.2
JCOUPL  18 GLU- HN   HA    6.4
JCOUPL  19 ARG+ HN   HA    5.6
JCOUPL  20 GLU- HN   HA    4.2
JCOUPL  21 ILE  HN   HA    5.8
JCOUPL  22 ARG+ HN   HA    5.8
JCOUPL  22 ARG+ HA   HB2   4.0  
JCOUPL  22 ARG+ HA   HB3   8.0  
JCOUPL  23 LYS+ HN   HA    5.3
JCOUPL  24 ALA  HN   HA    5.9
JCOUPL  25 TYR  HN   HA    6.0
JCOUPL  26 LYS+ HN   HA    5.7
JCOUPL  27 ARG+ HN   HA    5.6
JCOUPL  28 LEU  HN   HA    6.1
JCOUPL  28 LEU  HA   HB3   4.0  
JCOUPL  28 LEU  HA   HB2   8.0  
JCOUPL  28 LEU  N    HB3   4.0
JCOUPL  28 LEU  N    HB2   1.0
JCOUPL  29 ALA  HN   HA    5.8
JCOUPL  30 MET  HN   HA    5.6
JCOUPL  31 LYS+ HN   HA    6.3
JCOUPL  32 TYR  HN   HA    8.3
JCOUPL  32 TYR  HA   HB2   4.0  
JCOUPL  32 TYR  HA   HB3   8.0  
JCOUPL  33 HIS  HN   HA    6.4
JCOUPL  36 ARG+ HN   HA    8.6
JCOUPL  36 ARG+ HA   HB2   4.0  
JCOUPL  36 ARG+ HA   HB3   8.0  
JCOUPL  37 ASN  N    HB3   1.0
JCOUPL  37 ASN  N    HB2   4.0
JCOUPL  38 GLN  HN   HA    5.4
JCOUPL  38 GLN  HA   HB2   4.0  
JCOUPL  38 GLN  HA   HB3   8.0  
JCOUPL  40 ASP- HN   HA    6.5
JCOUPL  41 LYS+ HN   HA    5.3
JCOUPL  42 GLU- HN   HA    5 5
JCOUPL  43 ALA  HN   HA    5.5
JCOUPL  44 GLU- HN   HA    5.8
JCOUPL  45 ALA  HN   HA    5.7
JCOUPL  46 LYS+ HN   HA    5.6
JCOUPL  46 LYS+ N    HB2   4.0
JCOUPL  46 LYS+ N    HB3   1.0
JCOUPL  47 PHE  HN   HA    4.1
JCOUPL  48 LYS+ HN   HA    6.3
JCOUPL  52 GLU- HN   HA    5.9
JCOUPL  54 TYR  HN   HA    6.2
JCOUPL  55 GLU- HN   HA    6.1
JCOUPL  55 GLU- N    HB3   4.0
JCOUPL  55 GLU- N    HB2   1.0
JCOUPL  56 VAL  HN   HA    6.8
JCOUPL  57 LEU  HN   HA    6.3
JCOUPL  57 LEU  N    HB3   1.0
JCOUPL  57 LEU  N    HB2   4.0
JCOUPL  58 THR  HN   HA    8.2
JCOUPL  59 ASP- HA   HB2   8.0  
JCOUPL  59 ASP- HA   HB3   4.0  
JCOUPL  62 LYS+ HA   HB2   4.0 
JCOUPL  62 LYS+ HA   HB3   8.0 
JCOUPL  63 ARG+ HN   HA    6.3
JCOUPL  64 ALA  HN   HA    5.8
JCOUPL  65 ALA  HN   HA    6.2
JCOUPL  67 ASP- HN   HA    6.3
JCOUPL  68 GLN  HN   HA    6.0
JCOUPL  69 TYR  HN   HA    8.4
JCOUPL  71 HIS  HN   HA    5.8
JCOUPL  73 ALA  HN   HA    6.2
JCOUPL  74 PHE  HN   HA    8.4
JCOUPL  74 PHE  N    HB3   1.0
JCOUPL  74 PHE  N    HB2   4.0
JCOUPL  75 GLU- HN   HA    7.1
NOEUPP  3 LYS+
NOEUPP         HA      4 GLN  HN      2.40
NOEUPP         HB2     3 LYS+ QE      5.80
NOEUPP         HB2     4 GLN  HN      4.00
NOEUPP         HB3     3 LYS+ QE      5.80
NOEUPP         HB3     4 GLN  HN      4.00
NOEUPP         QB      3 LYS+ QG      2.50
NOEUPP         QB      3 LYS+ QD      3.67
NOEUPP         QB      3 LYS+ QE      5.16
NOEUPP         QB      4 GLN  HN      3.75
NOEUPP  4 GLN
NOEUPP         HN      4 GLN  HB2     3.20
NOEUPP         HN      4 GLN  HB3     3.20
NOEUPP         HN      4 GLN  QG      6.00
NOEUPP         HA      5 ASP- HN      2.40
NOEUPP         HB2     5 ASP- HN      4.40
NOEUPP         HB3     5 ASP- HN      4.40
NOEUPP         QG      5 ASP- HN      5.40
NOEUPP  5 ASP-
NOEUPP         HN      5 ASP- HB2     3.20
NOEUPP         HN      5 ASP- HB3     3.20
NOEUPP         HA      6 TYR  HN      2.80
NOEUPP  6 TYR
NOEUPP         HN      7 TYR  HN      3.30
NOEUPP         HA      9 ILE  HN      3.70
NOEUPP         HA      9 ILE  HB      2.70
NOEUPP         HA      9 ILE  QG2     4.50
NOEUPP         HA      9 ILE  QD1     4.50
NOEUPP         HA     53 ALA  QB      4.40
NOEUPP         HB2    57 LEU  QD1     5.30
NOEUPP         HB3    57 LEU  QD1     5.30
NOEUPP         QB     53 ALA  QB      5.58
NOEUPP         QB     57 LEU  QD2     6.88
NOEUPP         CG      9 ILE  QD1     7.10
NOEUPP         CG     53 ALA  HA      7.00
NOEUPP         CG     53 ALA  QB      7.40
NOEUPP         CG     56 VAL  QG1     8.00
NOEUPP         CZ     56 VAL  QG1     8.00
NOEUPP         CZ     56 VAL  QG2     7.80
NOEUPP         CZ     66 TYR  CG      9.00
NOEUPP  7 TYR
NOEUPP         HN      8 GLU- HN      2.70
NOEUPP         HA     12 VAL  QG1     3.90
NOEUPP         HA     57 LEU  QD1     4.40
NOEUPP         QB     12 VAL  QG1     7.00
NOEUPP         QB     14 LYS+ HA      6.00
NOEUPP         CG     10 LEU  QQD     9.57
NOEUPP         CG     12 VAL  QG1     6.50
NOEUPP         CZ     57 LEU  QD2     8.00
NOEUPP  8 GLU-
NOEUPP         HN      8 GLU- HA      2.80
NOEUPP         HN      8 GLU- HB2     2.90
NOEUPP         HN      8 GLU- HB3     3.00
NOEUPP         HN      8 GLU- HG2     4.20
NOEUPP         HN      8 GLU- HG3     4.20
NOEUPP         HN      8 GLU- QG      4.01
NOEUPP         HN      9 ILE  HN      2.60
NOEUPP         HN      9 ILE  QD1     6.00
NOEUPP         HA      8 GLU- HB2     2.90
NOEUPP         HA     11 GLY  HN      3.30
NOEUPP         HB2     9 ILE  HN      3.50
NOEUPP  9 ILE
NOEUPP         HN      9 ILE  HA      2.70
NOEUPP         HN      9 ILE  HB      2.60
NOEUPP         HN      9 ILE  HG12    3.90
NOEUPP         HN      9 ILE  HG13    3.90
NOEUPP         HN      9 ILE  QG1     3.32
NOEUPP         HN      9 ILE  QD1     6.00
NOEUPP         HN     10 LEU  HN      2.90
NOEUPP         HA      9 ILE  HG12    3.10
NOEUPP         HA      9 ILE  HG13    3.10
NOEUPP         HA      9 ILE  QG1     2.87
NOEUPP         HA      9 ILE  QD1     4.80
NOEUPP         HB      9 ILE  QD1     3.60
NOEUPP         HB     10 LEU  HN      3.20
NOEUPP         HB     53 ALA  QB      4.90
NOEUPP         QG2    10 LEU  HN      5.50
NOEUPP         QG2    50 ILE  HN      6.00
NOEUPP         QG2    53 ALA  QB      6.00
NOEUPP         QD1    49 GLU- HA      6.00
NOEUPP         QD1    49 GLU- HB2     6.00
NOEUPP         QD1    49 GLU- HB3     6.00
NOEUPP         QD1    49 GLU- QB      5.41
NOEUPP         QD1    49 GLU- QG      5.78
NOEUPP 10 LEU
NOEUPP         HN     10 LEU  HB2     3.50
NOEUPP         HN     10 LEU  HB3     3.50
NOEUPP         HN     10 LEU  HG      4.20
NOEUPP         HN     10 LEU  QD1     6.00
NOEUPP         HN     10 LEU  QD2     6.00
NOEUPP         HN     11 GLY  HN      2.70
NOEUPP         HN     12 VAL  QG1     6.00
NOEUPP         HN     21 ILE  QD1     6.00
NOEUPP         HA     10 LEU  QD1     5.80
NOEUPP         HA     10 LEU  QD2     5.80
NOEUPP         HA     28 LEU  QQD     4.97
NOEUPP         QB     12 VAL  QG1     5.68
NOEUPP         HG     53 ALA  QB      4.70
NOEUPP         QD1    53 ALA  QB      5.40
NOEUPP         QD1    54 TYR  HN      6.00
NOEUPP         QD2    53 ALA  QB      5.40
NOEUPP         QD2    54 TYR  HN      6.00
NOEUPP         QQD    21 ILE  HA      5.67
NOEUPP         QQD    24 ALA  QB      6.47
NOEUPP         QQD    25 TYR  HA      5.47
NOEUPP         QQD    25 TYR  QB      8.57
NOEUPP         QQD    25 TYR  CG      9.57
NOEUPP         QQD    53 ALA  HN      7.57
NOEUPP         QQD    53 ALA  QB      4.67
NOEUPP         QQD    54 TYR  HA      5.97
NOEUPP         QQD    54 TYR  QB      8.57
NOEUPP         QQD    57 LEU  QD1     6.17
NOEUPP 11 GLY
NOEUPP         HN     12 VAL  HN      2.80
NOEUPP         HN     12 VAL  QG1     6.00
NOEUPP         HN     12 VAL  QG2     6.00
NOEUPP 12 VAL
NOEUPP         HN     12 VAL  QG1     3.40
NOEUPP         HN     12 VAL  QG2     4.70
NOEUPP         HA     12 VAL  HB      2.80
NOEUPP         HA     13 SER  HN      2.50
NOEUPP         HB     13 SER  HN      3.80
NOEUPP         HB     16 ALA  QB      6.00
NOEUPP         HB     21 ILE  QD1     6.00
NOEUPP         QG1    13 SER  HN      5.60
NOEUPP         QG1    16 ALA  HN      5.40
NOEUPP        QG1    16 ALA  QB      4.90
NOEUPP         QG1    21 ILE  HA      6.00
NOEUPP         QG1    24 ALA  HN      6.00
NOEUPP         QG1    57 LEU  QD1     5.70
NOEUPP         QG2    13 SER  HN      6.00
NOEUPP         QG2    16 ALA  QB      6.10
NOEUPP         QG2    20 GLU- HB2     6.00
NOEUPP         QG2    21 ILE  HA      4.30
NOEUPP         QG2    21 ILE  QG1     6.48
NOEUPP         QG2    24 ALA  HN      5.50
NOEUPP         QG2    24 ALA  QB      5.10
NOEUPP 13 SER
NOEUPP         HN     13 SER  HB2     3.10
NOEUPP         HN     13 SER  HB3     3.10
NOEUPP         HN     16 ALA  QB      4.60
NOEUPP         HA     14 LYS+ HN      2.50
NOEUPP         HA     14 LYS+ QB      6.00
NOEUPP         QB     15 THR  HN      5.78
NOEUPP         QB     16 ALA  HN      5.48
NOEUPP         QB     16 ALA  QB      5.98
NOEUPP 14 LYS+
NOEUPP         HN     14 LYS+ HA      2.80
NOEUPP         HN     14 LYS+ QB      3.80
NOEUPP         HN     14 LYS+ HG2     5.00
NOEUPP         HN     14 LYS+ HG3     5.00
NOEUPP         HN     14 LYS+ QG      4.63
NOEUPP         HN     15 THR  HN      4.40
NOEUPP         HN     15 THR  QG2     6.00
NOEUPP         HA     14 LYS+ QD      6.00
NOEUPP         HA     15 THR  HN      3.60
NOEUPP         HA     15 THR  QG2     6.00
NOEUPP         QB     15 THR  HN      5.10
NOEUPP         QB     15 THR  HA      5.00
NOEUPP 15 THR
NOEUPP         HN     15 THR  QG2     4.10
NOEUPP         HN     16 ALA  HN      2.70
NOEUPP         HA     15 THR  HB      2.80
NOEUPP         HA     15 THR  QG2     3.40
NOEUPP         HA     16 ALA  HN      3.20
NOEUPP         QG2    16 ALA  HN      6.00
NOEUPP 16 ALA
NOEUPP         HN     16 ALA  HA      2.80
NOEUPP         HN     16 ALA  QB      3.40
NOEUPP         HN     17 GLU- HN      5.00
NOEUPP         HA     17 GLU- HN      2.40
NOEUPP         QB     20 GLU- HB2     6.00
NOEUPP         QB     20 GLU- HB3     3.50
NOEUPP         QB     20 GLU- HG2     5.60
NOEUPP         QB     20 GLU- HG3     5.60
NOEUPP         QB     20 GLU- QG      5.14
NOEUPP         QB     21 ILE  QD1     5.40
NOEUPP 17 GLU-
NOEUPP         HN     17 GLU- HB2     3.00
NOEUPP         HN     17 GLU- HB3     3.00
NOEUPP         HN     17 GLU- QG      4.10
NOEUPP         HA     18 GLU- HN      2.90
NOEUPP         HB2    20 GLU- HN      5.00
NOEUPP 18 GLU-
NOEUPP         HN     18 GLU- HB2     3.50
NOEUPP         HN     18 GLU- HB3     3.50
NOEUPP         HN     19 ARG+ HN      3.30
NOEUPP         HA     18 GLU- HG2     3.40
NOEUPP         HA     18 GLU- HG3     3.40
NOEUPP         HA     21 ILE  HN      3.40
NOEUPP         HA     21 ILE  HB      2.60
NOEUPP         HA     21 ILE  QG2     6.00
NOEUPP         HA     21 ILE  QD1     4.70
NOEUPP         HA     58 THR  QG2     6.00
NOEUPP         QB     22 ARG+ QD      5.65
NOEUPP         QB     58 THR  QG2     6.58
NOEUPP         QG     58 THR  HA      5.88
NOEUPP 19 ARG+
NOEUPP         HN     19 ARG+ HB2     3.20
NOEUPP         HN     19 ARG+ HB3     3.20
NOEUPP         HN     19 ARG+ QB      2.93
NOEUPP         HN     19 ARG+ QG      5.38
NOEUPP         HN     20 GLU- HN      3.10
NOEUPP         HN     21 ILE  HN      4.70
NOEUPP         HA     19 ARG+ HB2     3.00
NOEUPP         HA     19 ARG+ HB3     3.00
NOEUPP         HA     19 ARG+ QD      6.00
NOEUPP         HA     22 ARG+ HN      4.30
NOEUPP         HB2    19 ARG+ QD      3.80
NOEUPP         HB3    19 ARG+ QD      3.80
NOEUPP         QB     19 ARG+ QD      3.50
NOEUPP         QG     20 GLU- HN      5.88
NOEUPP         QD     20 GLU- HA      6.00
NOEUPP 20 GLU-
NOEUPP         HN     20 GLU- HB2     3.80
NOEUPP         HN     20 GLU- HB3     3.20
NOEUPP         HN     20 GLU- QG      5.58
NOEUPP         HN     21 ILE  HN      2.70
NOEUPP         HN     22 ARG+ HN      4.20
NOEUPP         HA     20 GLU- HB2     2.40
NOEUPP         HA     20 GLU- HB3     3.00
NOEUPP         HA     20 GLU- HG2     3.80
NOEUPP         HA     20 GLU- HG3     3.80
NOEUPP         HA     23 LYS+ HN      3.10
NOEUPP         HA     23 LYS+ QB      3.80
NOEUPP         HA     23 LYS+ QD      4.68
NOEUPP         HB2    20 GLU- QG      2.60
NOEUPP         HB2    21 ILE  HN      4.00
NOEUPP         HB3    21 ILE  HN      4.00
NOEUPP 21 ILE
NOEUPP         HN     21 ILE  HB      2.70
NOEUPP         HN     21 ILE  HG12    3.70
NOEUPP         HN     21 ILE  HG13    3.70
NOEUPP         HN     21 ILE  QG1     3.25
NOEUPP         HN     21 ILE  QD1     4.90
NOEUPP         HN     22 ARG+ HN      2.90
NOEUPP         HA     21 ILE  HG12    3.80
NOEUPP         HA     21 ILE  HG13    3.80
NOEUPP         HA     21 ILE  QG1     3.45
NOEUPP         HA     21 ILE  QD1     4.90
NOEUPP         HA     24 ALA  HN      3.40
NOEUPP         HA     24 ALA  QB      3.90
NOEUPP         HB     22 ARG+ HN      2.90
NOEUPP         HB     58 THR  QG2     6.00
NOEUPP         QG2    22 ARG+ HN      5.30
NOEUPP         QG2    22 ARG+ HA      6.00
NOEUPP         QG2    54 TYR  CG      8.00
NOEUPP         QG2    57 LEU  QB      5.28
NOEUPP         QG2    57 LEU  QD1     5.00
NOEUPP         QD1    25 TYR  HN      6.00
NOEUPP         QD1    57 LEU  QB      5.08
NOEUPP         QD1    57 LEU  QD1     5.00
NOEUPP         QD1    57 LEU  QD2     6.10
NOEUPP 22 ARG+
NOEUPP         HN     22 ARG+ HB2     3.30
NOEUPP         HN     22 ARG+ HB3     3.30
NOEUPP         HN     22 ARG+ QB      2.98
NOEUPP         HN     22 ARG+ QG      5.88
NOEUPP         HN     23 LYS+ HN      2.90
NOEUPP         HA     25 TYR  HN      4.30
NOEUPP         HA     25 TYR  QB      4.60
NOEUPP         HA     26 LYS+ HN      4.50
NOEUPP         HA     54 TYR  CZ      5.10
NOEUPP         QB     22 ARG+ QD      3.58
NOEUPP 23 LYS+
NOEUPP         HN     23 LYS+ HA      2.70
NOEUPP         HN     23 LYS+ QB      3.30
NOEUPP         HN     23 LYS+ HG2     5.00
NOEUPP         HN     23 LYS+ HG3     5.00
NOEUPP         HN     23 LYS+ QG      4.40
NOEUPP         HN     23 LYS+ QD      3.98
NOEUPP         HN     24 ALA  HN      2.80
NOEUPP         HN     24 ALA  QB      6.00
NOEUPP         HN     25 TYR  HN      4.60
NOEUPP         HA     23 LYS+ QG      3.89
NOEUPP         HA     23 LYS+ HD2     3.40
NOEUPP         HA     23 LYS+ HD3     3.40
NOEUPP         HA     23 LYS+ QE      5.88
NOEUPP         HA     26 LYS+ HN      3.80
NOEUPP         HA     26 LYS+ QB      3.90
NOEUPP         QB     23 LYS+ HD2     3.40
NOEUPP         QB     23 LYS+ HD3     3.40
NOEUPP         QB     24 ALA  HN      3.40
NOEUPP         QB     24 ALA  HA      4.60
NOEUPP 24 ALA
NOEUPP         HN     24 ALA  QB      3.40
NOEUPP         HN     25 TYR  HN      3.00
NOEUPP         HA     27 ARG+ QB      4.80
NOEUPP         QB     25 TYR  HN      3.80
NOEUPP         QB     28 LEU  QQD     7.27
NOEUPP         QB     50 ILE  QG2     6.50
NOEUPP 25 TYR
NOEUPP         HN     25 TYR  QB      3.60
NOEUPP         HN     26 LYS+ HN      3.00
NOEUPP         HA     28 LEU  HN      3.70
NOEUPP         CG     26 LYS+ HA      7.00
NOEUPP         CZ     51 LYS+ HA      5.10
NOEUPP 26 LYS+
NOEUPP         HN     26 LYS+ HA      2.70
NOEUPP         HN     26 LYS+ QB      3.30
NOEUPP         HN     26 LYS+ HG2     5.00
NOEUPP         HN     26 LYS+ HG3     5.00
NOEUPP         HN     26 LYS+ QG      4.77
NOEUPP         HN     27 ARG+ HN      2.90
NOEUPP         HA     26 LYS+ QG      3.99
NOEUPP         HA     29 ALA  HN      4.10
NOEUPP         HA     29 ALA  QB      3.60
NOEUPP         QB     26 LYS+ QE      7.00
NOEUPP         QB     27 ARG+ HN      4.30
NOEUPP 27 ARG+
NOEUPP         HN     27 ARG+ HA      2.80
NOEUPP         HN     27 ARG+ QB      3.40
NOEUPP         HN     27 ARG+ HG2     5.00
NOEUPP         HN     27 ARG+ HG3     5.00
NOEUPP         HN     28 LEU  HN      2.90
NOEUPP         HA     30 MET  QE      5.60
NOEUPP 28 LEU
NOEUPP         HN     28 LEU  HB2     2.40
NOEUPP         HN     28 LEU  HB3     3.50
NOEUPP         HN     28 LEU  HG      3.60
NOEUPP         HN     28 LEU  QD1     6.00
NOEUPP         HN     28 LEU  QD2     6.00
NOEUPP         HN     28 LEU  QQD     5.34
NOEUPP         HN     29 ALA  HN      3.00
NOEUPP         HN     50 ILE  QG2     6.00
NOEUPP         HA     28 LEU  HB3     3.00
NOEUPP         HA     28 LEU  QD1     5.30
NOEUPP         HA     28 LEU  QD2     5.30
NOEUPP         HA     28 LEU  QQD     4.25
NOEUPP         HA     31 LYS+ HN      3.80
NOEUPP         HA     31 LYS+ HB2     3.30
NOEUPP         HA     32 TYR  HN      4.60
NOEUPP         HB2    29 ALA  HN      3.90
NOEUPP         HB2    50 ILE  QG2     6.00
NOEUPP         HB2    50 ILE  QD1     5.70
NOEUPP         HB3    29 ALA  HN      3.90
NOEUPP         HB3    50 ILE  QG2     6.00
NOEUPP         HB3    50 ILE  QD1     3.70
NOEUPP         QD1    32 TYR  CZ      8.00
NOEUPP         QD1    50 ILE  QG2     5.30
NOEUPP         QD2    32 TYR  CZ      8.00
NOEUPP         QD2    50 ILE  QG2     5.30
NOEUPP         QQD    32 TYR  CG      9.57
NOEUPP         QQD    50 ILE  QG2     4.61
NOEUPP         QQD    50 ILE  QD1     6.07
NOEUPP 29 ALA
NOEUPP         HN     29 ALA  QB      3.40
NOEUPP         HN     30 MET  HN      3.00
NOEUPP         HN     31 LYS+ HN      4.70
NOEUPP         HN     50 ILE  QD1     6.00
NOEUPP         HA     30 MET  HN      3.60
NOEUPP         HA     50 ILE  QD1     5.20
NOEUPP         QB     30 MET  HN      3.50
NOEUPP 30 MET
NOEUPP         HN     30 MET  HA      2.80
NOEUPP         HN     30 MET  HB2     3.70
NOEUPP         HN     30 MET  HB3     3.70
NOEUPP         HN     30 MET  HG2     4.70
NOEUPP         HN     30 MET  HG3     4.70
NOEUPP         HN     30 MET  QG      4.32
NOEUPP         HN     31 LYS+ HN      3.10
NOEUPP         HA     30 MET  QE      6.00
NOEUPP         HA     33 HIS  QB      4.58
NOEUPP 31 LYS+
NOEUPP         HN     31 LYS+ HA      2.80
NOEUPP         HN     31 LYS+ HB2     2.70
NOEUPP         HN     31 LYS+ HB3     3.30
NOEUPP         HN     32 TYR  HN      2.70
NOEUPP         HA     31 LYS+ HG2     3.70
NOEUPP         HA     31 LYS+ HG3     3.70
NOEUPP         HA     31 LYS+ QG      3.39
NOEUPP         HB2    32 TYR  HN      3.60
NOEUPP         HB3    32 TYR  HN      3.60
NOEUPP         QE     32 TYR  CZ      7.88
NOEUPP 32 TYR
NOEUPP         HN     32 TYR  HB2     3.60
NOEUPP         HN     32 TYR  HB3     3.60
NOEUPP         HN     32 TYR  QB      3.34
NOEUPP         HN     33 HIS  HN      2.70
NOEUPP         CG     43 ALA  HA      7.00
NOEUPP         CG     43 ALA  QB      8.00
NOEUPP         CG     50 ILE  QD1     7.00
NOEUPP 33 HIS
NOEUPP         HN     33 HIS  HB2     3.10
NOEUPP         HN     33 HIS  HB3     3.10
NOEUPP         HA     34 PRO  HD2     2.70
NOEUPP         HA     34 PRO  HD3     2.70
NOEUPP         HA     34 PRO  QD      2.40
NOEUPP 34 PRO
NOEUPP         HA     37 ASN  QB      4.18
NOEUPP 35 ASP-
NOEUPP         HN     36 ARG+ HN      4.30
NOEUPP 36 ARG+
NOEUPP         HN     36 ARG+ HB2     4.10
NOEUPP         HN     36 ARG+ HB3     3.30
NOEUPP         HN     36 ARG+ QG      4.90
NOEUPP         HN     37 ASN  HN      3.50
NOEUPP         HA     36 ARG+ HB2     2.90
NOEUPP         HA     36 ARG+ HB3     2.70
NOEUPP         HA     36 ARG+ QD      5.20
NOEUPP 37 ASN
NOEUPP         HN     37 ASN  HB2     4.10
NOEUPP         HN     37 ASN  HB3     4.10
NOEUPP         HN     37 ASN  QB      3.90
NOEUPP         HN     38 GLN  HN      3.40
NOEUPP         HA     38 GLN  HN      3.20
NOEUPP         QB     43 ALA  QB      5.78
NOEUPP 38 GLN
NOEUPP         HN     38 GLN  HB2     3.60
NOEUPP         HN     38 GLN  HB3     3.60
NOEUPP         HN     38 GLN  QG      5.60
NOEUPP         HA     39 GLY  HN      2.90
NOEUPP         HA     40 ASP- HN      4.40
NOEUPP 39 GLY
NOEUPP         HN     40 ASP- HN      3.30
NOEUPP 40 ASP-
NOEUPP         HN     40 ASP- HA      2.70
NOEUPP         HN     40 ASP- HB2     2.90
NOEUPP         HN     40 ASP- HB3     2.90
NOEUPP         HA     40 ASP- HB2     3.00
NOEUPP         HB2    43 ALA  QB      6.00
NOEUPP         HB3    43 ALA  QB      4.60
NOEUPP 41 LYS+
NOEUPP         HN     41 LYS+ QB      3.80
NOEUPP         HN     41 LYS+ QG      5.88
NOEUPP         HN     42 GLU- HN      2.90
NOEUPP         HA     41 LYS+ HG2     3.30
NOEUPP         HA     41 LYS+ HG3     3.30
NOEUPP         HA     41 LYS+ QG      3.08
NOEUPP         HA     41 LYS+ QD      5.00
NOEUPP         HA     42 GLU- HN      3.60
NOEUPP         HA     44 GLU- HN      3.90
NOEUPP         HA     44 GLU- QB      4.80
NOEUPP         QB     42 GLU- HN      4.60
NOEUPP 42 GLU-
NOEUPP         HN     42 GLU- HA      2.80
NOEUPP         HN     42 GLU- QB      3.30
NOEUPP         HN     42 GLU- HG2     4.00
NOEUPP         HN     42 GLU- HG3     4.00
NOEUPP         HN     43 ALA  HN      3.00
NOEUPP         HN     43 ALA  QB      6.00
NOEUPP         HA     42 GLU- HG2     4.10
NOEUPP         HA     42 GLU- HG3     4.10
NOEUPP         HA     42 GLU- QG      3.62
NOEUPP         HA     45 ALA  HN      3.30
NOEUPP         HA     45 ALA  QB      3.60
NOEUPP         QB     43 ALA  HN      4.20
NOEUPP 43 ALA
NOEUPP         HN     43 ALA  HA      2.60
NOEUPP         HN     43 ALA  QB      3.40
NOEUPP         HN     44 GLU- HN      2.90
NOEUPP         HN     44 GLU- QB      5.70
NOEUPP         HA     46 LYS+ HN      3.50
NOEUPP         HA     46 LYS+ HB3     2.80
NOEUPP         QB     44 GLU- HN      3.60
NOEUPP         QB     44 GLU- HA      5.20
NOEUPP 44 GLU-
NOEUPP         HN     44 GLU- HA      2.90
NOEUPP         HN     44 GLU- QB      3.30
NOEUPP         HN     44 GLU- HG2     4.70
NOEUPP         HN     44 GLU- HG3     4.70
NOEUPP         HN     44 GLU- QG      4.42
NOEUPP         HN     45 ALA  HN      2.70
NOEUPP         HA     44 GLU- HG2     3.70
NOEUPP         HA     44 GLU- HG3     3.70
NOEUPP         HA     44 GLU- QG      3.35
NOEUPP         HA     47 PHE  HN      3.40
NOEUPP         HA     47 PHE  HB3     4.10
NOEUPP         QB     45 ALA  HN      4.20
NOEUPP 45 ALA
NOEUPP         HN     45 ALA  HA      2.70
NOEUPP         HN     45 ALA  QB      3.40
NOEUPP         HN     46 LYS+ HN      2.60
NOEUPP         HN     47 PHE  HN      4.40
NOEUPP         HA     48 LYS+ HN      3.00
NOEUPP         HA     48 LYS+ QB      4.30
NOEUPP         HA     48 LYS+ QG      3.38
NOEUPP         QB     46 LYS+ HN      3.40
NOEUPP 46 LYS+
NOEUPP         HN     46 LYS+ HB2     3.20
NOEUPP         HN     46 LYS+ HB3     2.90
NOEUPP         HN     46 LYS+ HG2     4.70
NOEUPP         HN     46 LYS+ HG3     4.70
NOEUPP         HN     46 LYS+ QD      6.00
NOEUPP         HN     47 PHE  HN      2.90
NOEUPP         HA     46 LYS+ QG      3.71
NOEUPP         HA     46 LYS+ QD      5.70
NOEUPP         HA     49 GLU- HN      3.50
NOEUPP         HA     49 GLU- QB      4.18
NOEUPP         HB2    47 PHE  HN      3.80
NOEUPP         HB3    47 PHE  HN      3.40
NOEUPP         QG     47 PHE  HA      5.18
NOEUPP 47 PHE
NOEUPP         HN     47 PHE  HB2     3.00
NOEUPP         HN     47 PHE  HB3     3.10
NOEUPP         HN     48 LYS+ HN      2.90
NOEUPP         HA     47 PHE  HB2     2.90
NOEUPP         HA     48 LYS+ HN      3.60
NOEUPP         HA     50 ILE  HN      3.60
NOEUPP         HA     50 ILE  HB      2.90
NOEUPP         HA     50 ILE  QG2     6.00
NOEUPP         HA     50 ILE  QD1     3.60
NOEUPP         HB2    48 LYS+ HN      4.50
NOEUPP         HB3    48 LYS+ HN      3.90
NOEUPP 48 LYS+
NOEUPP         HN     48 LYS+ HA      2.90
NOEUPP         HN     48 LYS+ QB      3.40
NOEUPP         HN     48 LYS+ QG      4.18
NOEUPP         HN     48 LYS+ QD      6.00
NOEUPP         HN     49 GLU- HN      2.70
NOEUPP         HA     48 LYS+ HG2     2.70
NOEUPP         HA     48 LYS+ HG3     2.70
NOEUPP         HA     48 LYS+ QD      6.00
NOEUPP         HA     51 LYS+ HN      3.40
NOEUPP         HA     51 LYS+ HB3     3.10
NOEUPP         QB     48 LYS+ QE      5.90
NOEUPP         QB     49 GLU- HN      4.10
NOEUPP         HG2    48 LYS+ QE      3.90
NOEUPP         HG3    48 LYS+ QE      3.90
NOEUPP         QG     48 LYS+ QE      3.55
NOEUPP 49 GLU-
NOEUPP         HN     49 GLU- HA      2.80
NOEUPP         HN     49 GLU- HB2     3.50
NOEUPP         HN     49 GLU- HB3     3.50
NOEUPP         HN     49 GLU- QB      3.19
NOEUPP         HN     49 GLU- HG2     3.50
NOEUPP         HN     49 GLU- HG3     3.50
NOEUPP         HN     49 GLU- QG      3.29
NOEUPP         HN     50 ILE  HN      3.20
NOEUPP         HA     49 GLU- QG      4.00
NOEUPP         HA     52 GLU- HN      3.50
NOEUPP         HA     52 GLU- HB3     3.40
NOEUPP 50 ILE
NOEUPP         HN     50 ILE  HB      2.60
NOEUPP         HN     50 ILE  QG2     4.40
NOEUPP         HN     50 ILE  HG12    3.80
NOEUPP         HN     50 ILE  HG13    3.80
NOEUPP         HN     50 ILE  QG1     3.50
NOEUPP         HN     51 LYS+ HN      3.30
NOEUPP         HA     50 ILE  HG12    3.60
NOEUPP         HA     50 ILE  HG13    3.60
NOEUPP         HA     50 ILE  QG1     3.39
NOEUPP         HA     53 ALA  HN      3.90
NOEUPP         HA     53 ALA  QB      4.30
NOEUPP         HB     51 LYS+ HN      4.00
NOEUPP         QG2    51 LYS+ HN      6.00
NOEUPP 51 LYS+
NOEUPP         HN     51 LYS+ HB2     2.50
NOEUPP         HN     51 LYS+ HB3     3.00
NOEUPP         HN     51 LYS+ QG      5.60
NOEUPP         HN     52 GLU- HN      3.00
NOEUPP         HA     51 LYS+ HB2     3.00
NOEUPP         HA     51 LYS+ QG      3.80
NOEUPP         HA     54 TYR  HN      4.10
NOEUPP         HA     54 TYR  QB      4.50
NOEUPP         HA     54 TYR  CG      6.10
NOEUPP         HB2    52 GLU- HN      4.30
NOEUPP         HB3    52 GLU- HN      3.60
NOEUPP 52 GLU-
NOEUPP         HN     52 GLU- HB2     2.70
NOEUPP         HN     52 GLU- HB3     2.90
NOEUPP         HN     52 GLU- HG2     5.00
NOEUPP         HN     52 GLU- HG3     5.00
NOEUPP         HN     52 GLU- QG      4.82
NOEUPP         HN     53 ALA  HN      3.30
NOEUPP         HA     52 GLU- HB2     2.70
NOEUPP         HA     52 GLU- HG2     3.70
NOEUPP         HA     52 GLU- HG3     3.70
NOEUPP         HA     52 GLU- QG      3.30
NOEUPP         HA     55 GLU- HN      3.50
NOEUPP         HA     55 GLU- HB2     3.80
NOEUPP         HB3    52 GLU- QG      2.75
NOEUPP 53 ALA
NOEUPP         HN     53 ALA  QB      3.40
NOEUPP         HN     54 TYR  HN      3.00
NOEUPP         QB     54 TYR  HN      4.40
NOEUPP         QB     57 LEU  QD1     7.00
NOEUPP         QB     57 LEU  QD2     7.00
NOEUPP 54 TYR
NOEUPP         HN     54 TYR  QB      3.50
NOEUPP         HN     55 GLU- HN      3.20
NOEUPP         HA     57 LEU  QB      4.98
NOEUPP         HA     58 THR  QG2     6.00
NOEUPP         CG     58 THR  QG2     8.00
NOEUPP         CZ     58 THR  QG2     7.20
NOEUPP 55 GLU-
NOEUPP         HN     55 GLU- HB2     3.20
NOEUPP         HN     55 GLU- HB3     2.90
NOEUPP         HN     55 GLU- HG2     4.20
NOEUPP         HN     55 GLU- HG3     4.20
NOEUPP         HN     55 GLU- QG      3.81
NOEUPP         HN     56 VAL  HN      3.20
NOEUPP         HA     55 GLU- HB2     2.60
NOEUPP         HA     55 GLU- HB3     2.90
NOEUPP         HA     55 GLU- HG2     3.90
NOEUPP         HA     55 GLU- HG3     3.90
NOEUPP         HA     55 GLU- QG      3.37
NOEUPP         HB3    56 VAL  HN      3.70
NOEUPP 56 VAL
NOEUPP         HN     56 VAL  HB      2.70
NOEUPP         HN     56 VAL  QG2     3.80
NOEUPP         HN     57 LEU  HN      2.80
NOEUPP         HA     56 VAL  QG2     3.40
NOEUPP         HA     62 LYS+ HB2     4.90
NOEUPP         HA     62 LYS+ HB3     4.90
NOEUPP         HA     62 LYS+ QD      4.30
NOEUPP         HB     57 LEU  HN      3.40
NOEUPP         QG1    57 LEU  HN      5.50
NOEUPP         QG1    57 LEU  QD2     5.30
NOEUPP         QG1    62 LYS+ HB2     6.00
NOEUPP         QG1    62 LYS+ HB3     6.00
NOEUPP         QG1    62 LYS+ QB      5.15
NOEUPP         QG1    62 LYS+ QD      7.00
NOEUPP         QG1    63 ARG+ HA      4.30
NOEUPP         QG1    66 TYR  QB      6.50
NOEUPP         QG2    57 LEU  HN      6.00
NOEUPP         QG2    62 LYS+ QD      7.00
NOEUPP         QG2    63 ARG+ QB      7.00
NOEUPP 57 LEU
NOEUPP         HN     57 LEU  QB      3.58
NOEUPP         HN     57 LEU  HG      3.20
NOEUPP         HN     57 LEU  QD1     6.00
NOEUPP         HN     57 LEU  QD2     6.00
NOEUPP         HN     58 THR  HN      3.80
NOEUPP         HA     57 LEU  QD2     3.60
NOEUPP         HA     63 ARG+ QB      6.00
NOEUPP         HA     63 ARG+ QG      6.00
NOEUPP         QD1    58 THR  QG2     6.90
NOEUPP         QD2    59 ASP- HN      6.00
NOEUPP         QD2    63 ARG+ HA      4.50
NOEUPP         QD2    63 ARG+ QD      6.88
NOEUPP 58 THR
NOEUPP         HN     59 ASP- HN      3.00
NOEUPP         HA     58 THR  HB      2.40
NOEUPP         HB     59 ASP- HN      4.70
NOEUPP 59 ASP-
NOEUPP         HN     59 ASP- HB2     3.50
NOEUPP         HN     59 ASP- HB3     3.50
NOEUPP         HA     60 SER  HN      2.70
NOEUPP 60 SER
NOEUPP         HN     61 GLN  HN      3.40
NOEUPP 61 GLN
NOEUPP         HN     61 GLN  HB2     3.00
NOEUPP         HN     61 GLN  HB3     3.00
NOEUPP         HN     61 GLN  HG2     4.40
NOEUPP         HN     61 GLN  HG3     4.40
NOEUPP         HN     61 GLN  QG      4.16
NOEUPP         HN     62 LYS+ HN      2.60
NOEUPP         HA     64 ALA  QB      4.90
NOEUPP         QG     63 ARG+ HN      5.18
NOEUPP 62 LYS+
NOEUPP         HN     62 LYS+ HB2     4.10
NOEUPP         HN     62 LYS+ HB3     4.10
NOEUPP         HN     62 LYS+ QB      3.76
NOEUPP         HN     62 LYS+ QG      5.58
NOEUPP         HN     62 LYS+ QD      6.00
NOEUPP         HN     63 ARG+ HN      3.30
NOEUPP         HA     65 ALA  QB      4.50
NOEUPP 63 ARG+
NOEUPP         HN     63 ARG+ QG      6.00
NOEUPP         HN     63 ARG+ QD      5.88
NOEUPP         HN     64 ALA  HN      3.40
NOEUPP         HA     63 ARG+ QD      3.48
NOEUPP         HA     66 TYR  QB      5.50
NOEUPP 64 ALA
NOEUPP         HN     64 ALA  HA      2.80
NOEUPP         HN     64 ALA  QB      3.40
NOEUPP         HN     65 ALA  HN      2.80
NOEUPP         HA     67 ASP- HN      3.20
NOEUPP         HA     67 ASP- HB2     3.60
NOEUPP         HA     67 ASP- HB3     3.60
NOEUPP         HA     67 ASP- QB      3.34
NOEUPP 65 ALA
NOEUPP         HN     65 ALA  HA      2.70
NOEUPP         HN     65 ALA  QB      3.40
NOEUPP         HN     66 TYR  HN      3.00
NOEUPP         HA     68 GLN  HN      3.80
NOEUPP         HA     68 GLN  HB2     4.00
NOEUPP         HA     68 GLN  HB3     4.00
NOEUPP         HA     68 GLN  QB      3.51
NOEUPP         QB     66 TYR  QB      7.00
NOEUPP         QB     73 ALA  QB      6.40
NOEUPP 66 TYR
NOEUPP         HN     67 ASP- HN      3.30
NOEUPP         HA     70 GLY  HN      3.20
NOEUPP         HA     73 ALA  QB      6.00
NOEUPP 67 ASP-
NOEUPP         HN     67 ASP- HB2     3.30
NOEUPP         HN     67 ASP- HB3     3.30
NOEUPP         HN     68 GLN  HN      3.10
NOEUPP         HB2    68 GLN  HN      5.00
NOEUPP         HB3    68 GLN  HN      5.00
NOEUPP 68 GLN
NOEUPP         HN     68 GLN  HB2     3.10
NOEUPP         HN     68 GLN  HB3     3.10
NOEUPP         HN     68 GLN  QB      2.82
NOEUPP         HN     68 GLN  HG2     4.30
NOEUPP         HN     68 GLN  HG3     4.30
NOEUPP         HN     69 TYR  HN      2.70
NOEUPP         HA     68 GLN  HG2     3.50
NOEUPP         HA     68 GLN  HG3     3.50
NOEUPP         HB2    69 TYR  HN      3.80
NOEUPP         HB3    69 TYR  HN      3.80
NOEUPP         QB     69 TYR  HN      3.60
NOEUPP 69 TYR
NOEUPP         HN     69 TYR  HB2     3.70
NOEUPP         HN     69 TYR  HB3     3.70
NOEUPP         HN     69 TYR  QB      3.39
NOEUPP         HN     70 GLY  HN      3.10
NOEUPP         HA     70 GLY  HN      3.40
NOEUPP         HB2    73 ALA  QB      5.20
NOEUPP         HB3    73 ALA  QB      5.20
NOEUPP         QB     72 ALA  QB      5.88
NOEUPP         QB     73 ALA  QB      4.56
NOEUPP         CG     73 ALA  QB      8.00
NOEUPP 70 GLY
NOEUPP         HN     70 GLY  HA1     2.80
NOEUPP         HN     70 GLY  HA2     2.80
NOEUPP         HN     70 GLY  QA      2.51
NOEUPP         HA1    71 HIS  HN      3.30
NOEUPP         HA2    71 HIS  HN      3.30
NOEUPP 71 HIS
NOEUPP         HN     71 HIS  HB2     3.90
NOEUPP         HN     71 HIS  HB3     3.90
NOEUPP         HN     71 HIS  QB      3.65
NOEUPP         HN     72 ALA  HN      3.00
NOEUPP         QB     72 ALA  HN      5.18
NOEUPP 72 ALA
NOEUPP         HN     72 ALA  QB      3.40
NOEUPP         HN     73 ALA  HN      3.10
NOEUPP         HA     73 ALA  HN      3.20
NOEUPP         HA     75 GLU- QB      4.48
NOEUPP         HA     75 GLU- QG      5.78
NOEUPP 73 ALA
NOEUPP         HN     73 ALA  HA      2.90
NOEUPP         HN     73 ALA  QB      3.40
NOEUPP         HN     74 PHE  HN      2.70
NOEUPP         QB     74 PHE  HN      4.30
NOEUPP         QB     74 PHE  CG      8.00
NOEUPP 74 PHE
NOEUPP         HN     74 PHE  HB2     3.50
NOEUPP         HN     74 PHE  HB3     3.50
NOEUPP 75 GLU-
NOEUPP         HN     75 GLU- HB2     3.60
NOEUPP         HN     75 GLU- HB3     3.60
NOEUPP         HN     75 GLU- QB      3.29
NOEUPP         HN     75 GLU- QG      5.88
NOEUPP         HN     76 GLN  HN      3.50
NOEUPP         HA     76 GLN  HN      3.30
NOEUPP 76 GLN
NOEUPP         HN     76 GLN  HA      2.80
NOEUPP         HN     76 GLN  HB2     3.30
NOEUPP         HN     76 GLN  HB3     3.30
NOEUPP         HN     76 GLN  QG      6.00
NOEUPP         HA     76 GLN  HB2     3.00
NOEUPP         HA     76 GLN  HB3     3.00  
ANGLE        3 LYS+  PHI      55.0   325.0
ANGLE        3 LYS+  PSI     115.0   165.0
ANGLE        3 LYS+  CHI1   -185.0    95.0
ANGLE        4 GLN   PHI    -165.0   -45.0
ANGLE        4 GLN   PSI      75.0   165.0
ANGLE        4 GLN   CHI1     -5.0   255.0
ANGLE        5 ASP-  PHI    -165.0    45.0
ANGLE        5 ASP-  PSI      35.0   195.0
ANGLE        5 ASP-  CHI1    105.0   255.0
ANGLE        6 TYR   PHI      35.0   305.0
ANGLE        6 TYR   PSI    -105.0   105.0
ANGLE        7 TYR   PHI      45.0   305.0
ANGLE        7 TYR   PSI     -85.0    75.0
ANGLE        8 GLU-  PHI     -95.0   -55.0
ANGLE        8 GLU-  PSI     -75.0   -25.0
ANGLE        8 GLU-  CHI1   -175.0  -125.0
ANGLE        9 ILE   PHI     -75.0   -45.0
ANGLE        9 ILE   PSI     -75.0   -15.0
ANGLE        9 ILE   CHI1   -155.0   -45.0
ANGLE       10 LEU   PHI     175.0   315.0
ANGLE       10 LEU   PSI     -85.0    75.0
ANGLE       10 LEU   CHI1     -5.0   275.0
ANGLE       12 VAL   PHI      55.0   285.0
ANGLE       12 VAL   PSI     105.0   175.0
ANGLE       12 VAL   CHI1   -115.0    85.0
ANGLE       13 SER   PHI    -155.0   -55.0
ANGLE       13 SER   PSI      55.0   175.0
ANGLE       13 SER   CHI1    125.0   245.0
ANGLE       14 LYS+  PHI      35.0   325.0
ANGLE       14 LYS+  PSI    -105.0   225.0
ANGLE       15 THR   PHI      45.0   285.0
ANGLE       15 THR   PSI       5.0    75.0
ANGLE       15 THR   CHI1     -5.0   245.0
ANGLE       16 ALA   PHI      35.0   315.0
ANGLE       16 ALA   PSI      65.0   165.0
ANGLE       17 GLU-  PHI     -95.0   -55.0
ANGLE       17 GLU-  PSI      25.0   205.0
ANGLE       17 GLU-  CHI1    135.0   235.0
ANGLE       18 GLU-  PHI     175.0   305.0
ANGLE       18 GLU-  PSI    -105.0    15.0
ANGLE       19 ARG+  PHI    -155.0   -45.0
ANGLE       19 ARG+  PSI     -95.0    75.0
ANGLE       19 ARG+  CHI1    105.0   245.0
ANGLE       20 GLU-  PHI     155.0   315.0
ANGLE       20 GLU-  PSI     -75.0   -25.0
ANGLE       20 GLU-  CHI1    -55.0   185.0
ANGLE       21 ILE   PHI    -155.0   -55.0
ANGLE       21 ILE   PSI     -95.0   -25.0
ANGLE       21 ILE   CHI1   -125.0   -35.0
ANGLE       22 ARG+  PHI    -155.0   -55.0
ANGLE       22 ARG+  PSI     -85.0    65.0
ANGLE       22 ARG+  CHI1    105.0   235.0
ANGLE       23 LYS+  PHI      45.0   315.0
ANGLE       23 LYS+  PSI     -85.0    85.0
ANGLE       24 ALA   PHI      35.0   305.0
ANGLE       24 ALA   PSI     -95.0    95.0
ANGLE       25 TYR   PHI      35.0   305.0
ANGLE       25 TYR   PSI     -95.0    95.0
ANGLE       26 LYS+  PHI      35.0   305.0
ANGLE       26 LYS+  PSI     -85.0    85.0
ANGLE       27 ARG+  PHI      35.0   315.0
ANGLE       27 ARG+  PSI     -95.0    85.0
ANGLE       28 LEU   PHI     -95.0   -55.0
ANGLE       28 LEU   PSI     -95.0     5.0
ANGLE       28 LEU   CHI1   -115.0   -85.0
ANGLE       29 ALA   PHI      35.0   305.0
ANGLE       29 ALA   PSI     -95.0    95.0
ANGLE       30 MET   PHI      35.0   315.0
ANGLE       30 MET   PSI     -95.0    95.0
ANGLE       31 LYS+  PHI     -95.0   -55.0
ANGLE       31 LYS+  PSI     -75.0   -15.0
ANGLE       31 LYS+  CHI1    165.0   265.0
ANGLE       32 TYR   PHI    -165.0   -75.0
ANGLE       32 TYR   PSI     -85.0    65.0
ANGLE       32 TYR   CHI1     -5.0   275.0
ANGLE       33 HIS   PHI    -155.0    45.0
ANGLE       33 HIS   PSI    -105.0   225.0
ANGLE       33 HIS   CHI1    125.0   245.0
ANGLE       35 ASP-  PHI      35.0   325.0
ANGLE       35 ASP-  PSI    -105.0   225.0
ANGLE       36 ARG+  PHI    -125.0    75.0
ANGLE       36 ARG+  PSI    -105.0   105.0
ANGLE       36 ARG+  CHI1      5.0    45.0
ANGLE       37 ASN   PHI      35.0   285.0
ANGLE       37 ASN   PSI       5.0   115.0
ANGLE       37 ASN   CHI1   -165.0   165.0
ANGLE       38 GLN   PHI    -185.0    55.0
ANGLE       38 GLN   PSI      25.0   205.0
ANGLE       38 GLN   CHI1     -5.0   275.0
ANGLE       40 ASP-  PHI     -75.0   -55.0
ANGLE       40 ASP-  PSI      85.0   355.0
ANGLE       40 ASP-  CHI1    145.0   225.0
ANGLE       41 LYS+  PHI      35.0   315.0
ANGLE       41 LYS+  PSI     -85.0    85.0
ANGLE       42 GLU-  PHI      35.0   315.0
ANGLE       42 GLU-  PSI     -95.0    95.0
ANGLE       43 ALA   PHI     -55.0   175.0
ANGLE       43 ALA   PSI     -75.0    85.0
ANGLE       44 GLU-  PHI      45.0   305.0
ANGLE       44 GLU-  PSI     -85.0    75.0
ANGLE       45 ALA   PHI      55.0   305.0
ANGLE       45 ALA   PSI     -75.0    75.0
ANGLE       46 LYS+  PHI     -95.0   -45.0
ANGLE       46 LYS+  PSI     -85.0   -15.0
ANGLE       46 LYS+  CHI1    115.0   255.0
ANGLE       47 PHE   PHI     -75.0   -35.0
ANGLE       47 PHE   PSI     -75.0    -5.0
ANGLE       47 PHE   CHI1    125.0   245.0
ANGLE       48 LYS+  PHI      45.0   305.0
ANGLE       48 LYS+  PSI     -85.0    75.0
ANGLE       49 GLU-  PHI    -185.0    65.0
ANGLE       49 GLU-  PSI    -105.0    95.0
ANGLE       50 ILE   PHI    -145.0   -35.0
ANGLE       50 ILE   PSI    -105.0    25.0
ANGLE       50 ILE   CHI1    155.0   325.0
ANGLE       51 LYS+  PHI    -115.0   -35.0
ANGLE       51 LYS+  PSI     -75.0     5.0
ANGLE       51 LYS+  CHI1    175.0   235.0
ANGLE       52 GLU-  PHI     -95.0   -55.0
ANGLE       52 GLU-  PSI    -105.0    55.0
ANGLE       52 GLU-  CHI1    155.0   225.0
ANGLE       53 ALA   PHI      35.0   325.0
ANGLE       53 ALA   PSI     -95.0    95.0
ANGLE       54 TYR   PHI      35.0   305.0
ANGLE       54 TYR   PSI    -105.0   105.0
ANGLE       55 GLU-  PHI     -95.0   -55.0
ANGLE       55 GLU-  PSI    -105.0     5.0
ANGLE       55 GLU-  CHI1    115.0   155.0
ANGLE       56 VAL   PHI    -155.0   -65.0
ANGLE       56 VAL   PSI     -85.0    -5.0
ANGLE       56 VAL   CHI1     65.0   215.0
ANGLE       57 LEU   PHI      35.0   305.0
ANGLE       57 LEU   PSI    -155.0   175.0
ANGLE       57 LEU   CHI1     -5.0   325.0
ANGLE       58 THR   PHI      35.0   285.0
ANGLE       58 THR   PSI     -95.0    85.0
ANGLE       58 THR   CHI1     55.0   185.0
ANGLE       59 ASP-  PHI    -185.0    55.0
ANGLE       59 ASP-  PSI      45.0   185.0
ANGLE       59 ASP-  CHI1     -5.0   275.0
ANGLE       60 SER   PHI      35.0   325.0
ANGLE       60 SER   PSI    -105.0   115.0
ANGLE       61 GLN   PHI    -145.0   -55.0
ANGLE       61 GLN   PSI     -85.0     5.0
ANGLE       61 GLN   CHI1    135.0   235.0
ANGLE       62 LYS+  PHI      35.0   325.0
ANGLE       62 LYS+  PSI    -105.0   105.0
ANGLE       62 LYS+  CHI1   -115.0    45.0
ANGLE       63 ARG+  PHI      35.0   305.0
ANGLE       63 ARG+  PSI    -105.0   115.0
ANGLE       64 ALA   PHI      45.0   305.0
ANGLE       64 ALA   PSI     -85.0    85.0
ANGLE       65 ALA   PHI      35.0   305.0
ANGLE       65 ALA   PSI     -85.0    95.0
ANGLE       66 TYR   PHI      35.0   325.0
ANGLE       66 TYR   PSI    -105.0   105.0
ANGLE       67 ASP-  PHI    -185.0    65.0
ANGLE       67 ASP-  PSI     -95.0    85.0
ANGLE       67 ASP-  CHI1   -255.0    25.0
ANGLE       68 GLN   PHI     -95.0   -55.0
ANGLE       68 GLN   PSI     -75.0    -5.0
ANGLE       68 GLN   CHI1    155.0   245.0
ANGLE       69 TYR   PHI      35.0   285.0
ANGLE       69 TYR   PSI     -25.0    95.0
ANGLE       69 TYR   CHI1   -295.0    25.0
ANGLE       71 HIS   PHI      35.0   305.0
ANGLE       71 HIS   PSI     -95.0    85.0
ANGLE       72 ALA   PHI      35.0   285.0
ANGLE       72 ALA   PSI       5.0    95.0
ANGLE       73 ALA   PHI      45.0   305.0
ANGLE       73 ALA   PSI     -85.0    75.0
ANGLE       74 PHE   PHI      35.0   285.0
ANGLE       74 PHE   PSI    -105.0   225.0
ANGLE       74 PHE   CHI1   -165.0   165.0
ANGLE       75 GLU-  PHI    -145.0   -75.0
ANGLE       75 GLU-  PSI      -5.0    15.0
ANGLE       75 GLU-  CHI1   -235.0     5.0
ANGLE       76 GLN   PHI    -175.0    65.0
ANGLE       76 GLN   PSI      15.0   215.0
ANGLE       76 GLN   CHI1   -255.0    25.0   
END

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   2          3HN       ALA   2  -1.165  15.264   3.181
    2   2H    ALA   2          1HN       ALA   2   0.447  15.594   3.212
    3   3H    ALA   2          2HN       ALA   2  -0.660  16.791   3.534
    4    HA   ALA   2           HA       ALA   2  -1.523  16.792   1.352
    5   1HB   ALA   2          1HB       ALA   2   1.523  16.945   1.353
    6   2HB   ALA   2          2HB       ALA   2   0.441  17.616   0.113
    7   3HB   ALA   2          3HB       ALA   2   0.404  18.263   1.763
    8    H    LYS   3           HN       LYS   3  -2.394  14.630   1.174
    9    HA   LYS   3           HA       LYS   3  -2.575  12.525   0.408
   10   1HB   LYS   3          2HB       LYS   3   0.092  12.561  -0.965
   11   2HB   LYS   3          3HB       LYS   3  -1.317  11.560  -1.269
   12   1HG   LYS   3          2HG       LYS   3  -1.146  14.542  -1.909
   13   2HG   LYS   3          3HG       LYS   3  -0.813  13.230  -3.022
   14   1HD   LYS   3          2HD       LYS   3  -3.153  12.343  -2.654
   15   2HD   LYS   3          3HD       LYS   3  -3.496  13.808  -1.697
   16   1HE   LYS   3          2HE       LYS   3  -2.760  15.184  -3.678
   17   2HE   LYS   3          3HE       LYS   3  -2.541  13.706  -4.622
   18   1HZ   LYS   3          2HZ       LYS   3  -5.110  14.652  -3.504
   19   2HZ   LYS   3          3HZ       LYS   3  -4.580  14.868  -5.029
   20   3HZ   LYS   3          1HZ       LYS   3  -4.923  13.350  -4.530
   21    H    GLN   4           HN       GLN   4  -1.507  10.344   0.831
   22    HA   GLN   4           HA       GLN   4   0.130  10.550   3.285
   23   1HB   GLN   4          2HB       GLN   4  -2.117   8.845   2.295
   24   2HB   GLN   4          3HB       GLN   4  -0.771   7.951   2.952
   25   1HG   GLN   4          2HG       GLN   4  -2.281  10.191   4.371
   26   2HG   GLN   4          3HG       GLN   4  -2.470   8.454   4.680
   27   1HE2  GLN   4          2HE2      GLN   4   0.618  10.528   6.382
   28   2HE2  GLN   4          1HE2      GLN   4  -0.678  11.323   5.515
   29    H    ASP   5           HN       ASP   5   1.900   9.092   3.556
   30    HA   ASP   5           HA       ASP   5   3.370   8.680   1.075
   31   1HB   ASP   5          2HB       ASP   5   4.514   9.349   3.210
   32   2HB   ASP   5          3HB       ASP   5   4.254   7.678   3.787
   33    H    TYR   6           HN       TYR   6   2.074   7.350  -0.038
   34    HA   TYR   6           HA       TYR   6   1.217   4.765   0.867
   35   1HB   TYR   6          2HB       TYR   6   1.528   6.028  -1.868
   36   2HB   TYR   6          3HB       TYR   6   0.781   4.477  -1.629
   37    HD1  TYR   6           HD1      TYR   6  -1.023   4.798   0.709
   38    HD2  TYR   6           HD2      TYR   6  -0.079   7.595  -2.414
   39    HE1  TYR   6           HE1      TYR   6  -3.107   6.015   1.183
   40    HE2  TYR   6           HE2      TYR   6  -2.149   8.856  -1.911
   41    HH   TYR   6           HH       TYR   6  -4.047   8.933  -0.664
   42    H    TYR   7           HN       TYR   7   4.415   5.593   0.619
   43    HA   TYR   7           HA       TYR   7   5.158   2.898  -0.435
   44   1HB   TYR   7          2HB       TYR   7   6.955   5.197   0.351
   45   2HB   TYR   7          3HB       TYR   7   7.358   3.663  -0.393
   46    HD1  TYR   7           HD1      TYR   7   6.624   3.128  -2.719
   47    HD2  TYR   7           HD2      TYR   7   6.187   7.067  -1.039
   48    HE1  TYR   7           HE1      TYR   7   6.793   4.110  -4.986
   49    HE2  TYR   7           HE2      TYR   7   6.416   8.055  -3.305
   50    HH   TYR   7           HH       TYR   7   7.136   7.610  -5.466
   51    H    GLU   8           HN       GLU   8   5.074   5.058   2.455
   52    HA   GLU   8           HA       GLU   8   6.535   3.169   4.051
   53   1HB   GLU   8          2HB       GLU   8   5.846   5.910   4.169
   54   2HB   GLU   8          3HB       GLU   8   4.998   5.183   5.522
   55   1HG   GLU   8          2HG       GLU   8   7.980   4.842   4.912
   56   2HG   GLU   8          3HG       GLU   8   7.285   6.082   5.956
   57    H    ILE   9           HN       ILE   9   3.157   4.017   3.422
   58    HA   ILE   9           HA       ILE   9   1.947   2.783   5.586
   59    HB   ILE   9           HB       ILE   9   1.090   3.424   2.780
   60   1HG1  ILE   9          2HG1      ILE   9   0.029   4.174   5.552
   61   2HG1  ILE   9          3HG1      ILE   9   1.296   5.074   4.706
   62   1HG2  ILE   9          3HG2      ILE   9  -0.644   1.874   4.745
   63   2HG2  ILE   9          1HG2      ILE   9  -1.215   2.630   3.241
   64   3HG2  ILE   9          2HG2      ILE   9  -0.065   1.314   3.163
   65   1HD1  ILE   9          1HD1      ILE   9  -0.235   5.545   2.854
   66   2HD1  ILE   9          2HD1      ILE   9  -1.559   4.707   3.713
   67   3HD1  ILE   9          3HD1      ILE   9  -0.837   6.155   4.413
   68    H    LEU  10           HN       LEU  10   2.991   1.195   2.490
   69    HA   LEU  10           HA       LEU  10   2.428  -1.386   3.742
   70   1HB   LEU  10          2HB       LEU  10   4.234  -1.691   1.558
   71   2HB   LEU  10          3HB       LEU  10   2.635  -2.318   1.876
   72    HG   LEU  10           HG       LEU  10   1.751  -0.045   0.927
   73   1HD1  LEU  10          1HD1      LEU  10   4.573  -0.241  -0.247
   74   2HD1  LEU  10          2HD1      LEU  10   3.262   0.735  -0.933
   75   3HD1  LEU  10          3HD1      LEU  10   3.884   1.109   0.678
   76   1HD2  LEU  10          3HD2      LEU  10   2.940  -2.289  -0.735
   77   2HD2  LEU  10          1HD2      LEU  10   1.302  -2.206  -0.051
   78   3HD2  LEU  10          2HD2      LEU  10   1.775  -1.079  -1.329
   79    H    GLY  11           HN       GLY  11   5.470   0.385   2.723
   80   1HA   GLY  11          1HA       GLY  11   7.160   0.820   4.342
   81   2HA   GLY  11          2HA       GLY  11   6.711  -0.615   5.267
   82    H    VAL  12           HN       VAL  12   8.316   0.610   2.466
   83    HA   VAL  12           HA       VAL  12   9.685  -1.973   1.986
   84    HB   VAL  12           HB       VAL  12   7.631  -1.804   0.592
   85   1HG1  VAL  12          3HG1      VAL  12   8.780   0.788  -0.203
   86   2HG1  VAL  12          1HG1      VAL  12   8.294  -0.254  -1.539
   87   3HG1  VAL  12          2HG1      VAL  12   7.118   0.170  -0.257
   88   1HG2  VAL  12          2HG2      VAL  12   9.552  -3.178  -0.050
   89   2HG2  VAL  12          3HG2      VAL  12   8.529  -2.628  -1.389
   90   3HG2  VAL  12          1HG2      VAL  12  10.101  -1.859  -1.125
   91    H    SER  13           HN       SER  13  11.453  -1.426   0.215
   92    HA   SER  13           HA       SER  13  13.298   0.171   1.623
   93   1HB   SER  13          2HB       SER  13  13.670  -1.836   0.098
   94   2HB   SER  13          3HB       SER  13  13.556  -0.733  -1.271
   95    HG   SER  13           HG       SER  13  15.474  -0.793   0.834
   96    H    LYS  14           HN       LYS  14  11.822   2.214   1.617
   97    HA   LYS  14           HA       LYS  14  11.446   4.340   1.149
   98   1HB   LYS  14          2HB       LYS  14  13.538   4.208  -1.060
   99   2HB   LYS  14          3HB       LYS  14  12.755   5.644  -0.432
  100   1HG   LYS  14          2HG       LYS  14  13.799   5.516   1.634
  101   2HG   LYS  14          3HG       LYS  14  14.289   3.843   1.483
  102   1HD   LYS  14          2HD       LYS  14  15.317   5.890  -0.531
  103   2HD   LYS  14          3HD       LYS  14  16.003   5.820   1.084
  104   1HE   LYS  14          2HE       LYS  14  17.309   4.445  -0.494
  105   2HE   LYS  14          3HE       LYS  14  16.690   3.570   0.899
  106   1HZ   LYS  14          2HZ       LYS  14  14.937   2.659  -0.577
  107   2HZ   LYS  14          3HZ       LYS  14  15.547   3.471  -1.840
  108   3HZ   LYS  14          1HZ       LYS  14  16.458   2.312  -1.101
  109    H    THR  15           HN       THR  15  12.078   4.086  -2.297
  110    HA   THR  15           HA       THR  15   9.146   3.745  -2.716
  111    HB   THR  15           HB       THR  15   9.254   5.610  -4.243
  112    HG1  THR  15          1HG       THR  15  11.053   6.101  -5.067
  113   1HG2  THR  15          3HG2      THR  15   9.033   6.001  -1.707
  114   2HG2  THR  15          1HG2      THR  15  10.742   6.460  -1.717
  115   3HG2  THR  15          2HG2      THR  15   9.577   7.400  -2.659
  116    H    ALA  16           HN       ALA  16  10.830   1.668  -2.766
  117    HA   ALA  16           HA       ALA  16  12.138   0.951  -5.092
  118   1HB   ALA  16          3HB       ALA  16  12.035  -0.408  -3.012
  119   2HB   ALA  16          1HB       ALA  16  10.351  -0.837  -3.393
  120   3HB   ALA  16          2HB       ALA  16  11.675  -1.368  -4.459
  121    H    GLU  17           HN       GLU  17  11.512  -0.366  -6.927
  122    HA   GLU  17           HA       GLU  17   9.348   0.690  -8.356
  123   1HB   GLU  17          2HB       GLU  17  11.504  -0.647  -9.106
  124   2HB   GLU  17          3HB       GLU  17  10.520  -2.085  -8.842
  125   1HG   GLU  17          2HG       GLU  17   8.970  -0.226 -10.410
  126   2HG   GLU  17          3HG       GLU  17  10.608  -0.186 -11.042
  127    H    GLU  18           HN       GLU  18   7.406  -0.490  -9.100
  128    HA   GLU  18           HA       GLU  18   5.859  -1.530  -7.059
  129   1HB   GLU  18          2HB       GLU  18   5.079  -0.673  -9.321
  130   2HB   GLU  18          3HB       GLU  18   5.481  -2.264  -9.985
  131   1HG   GLU  18          2HG       GLU  18   3.949  -3.072  -7.929
  132   2HG   GLU  18          3HG       GLU  18   3.307  -1.430  -8.074
  133    H    ARG  19           HN       ARG  19   8.170  -3.075  -9.182
  134    HA   ARG  19           HA       ARG  19   7.825  -5.752  -8.982
  135   1HB   ARG  19          2HB       ARG  19   9.874  -4.152  -9.750
  136   2HB   ARG  19          3HB       ARG  19  10.570  -4.700  -8.239
  137   1HG   ARG  19          2HG       ARG  19   9.721  -6.272 -10.684
  138   2HG   ARG  19          3HG       ARG  19  11.354  -6.034 -10.055
  139   1HD   ARG  19          2HD       ARG  19  10.639  -7.366  -7.976
  140   2HD   ARG  19          3HD       ARG  19   9.138  -7.713  -8.832
  141    HE   ARG  19           HE       ARG  19  10.241  -9.052 -10.422
  142   1HH1  ARG  19          2HH2      ARG  19  12.653  -7.585  -8.218
  143   2HH1  ARG  19          1HH2      ARG  19  13.868  -8.750  -8.664
  144   1HH2  ARG  19          2HH1      ARG  19  11.863 -10.486 -10.973
  145   2HH2  ARG  19          1HH1      ARG  19  13.481 -10.323 -10.241
  146    H    GLU  20           HN       GLU  20   9.231  -3.658  -6.370
  147    HA   GLU  20           HA       GLU  20   9.319  -5.998  -4.548
  148   1HB   GLU  20          2HB       GLU  20  11.285  -4.547  -4.689
  149   2HB   GLU  20          3HB       GLU  20  10.325  -3.192  -4.070
  150   1HG   GLU  20          2HG       GLU  20   9.870  -4.432  -1.979
  151   2HG   GLU  20          3HG       GLU  20  10.682  -5.849  -2.627
  152    H    ILE  21           HN       ILE  21   7.594  -2.885  -5.067
  153    HA   ILE  21           HA       ILE  21   6.226  -2.791  -2.600
  154    HB   ILE  21           HB       ILE  21   5.003  -2.204  -5.315
  155   1HG1  ILE  21          2HG1      ILE  21   7.103  -0.828  -4.644
  156   2HG1  ILE  21          3HG1      ILE  21   5.658   0.090  -5.074
  157   1HG2  ILE  21          1HG2      ILE  21   4.038  -1.368  -2.569
  158   2HG2  ILE  21          2HG2      ILE  21   3.414  -0.753  -4.118
  159   3HG2  ILE  21          3HG2      ILE  21   3.237  -2.453  -3.687
  160   1HD1  ILE  21          2HD1      ILE  21   6.286  -0.649  -2.203
  161   2HD1  ILE  21          3HD1      ILE  21   6.893   0.845  -2.971
  162   3HD1  ILE  21          1HD1      ILE  21   5.166   0.570  -2.750
  163    H    ARG  22           HN       ARG  22   5.423  -4.735  -5.503
  164    HA   ARG  22           HA       ARG  22   3.041  -5.832  -4.514
  165   1HB   ARG  22          2HB       ARG  22   4.613  -6.216  -6.795
  166   2HB   ARG  22          3HB       ARG  22   4.817  -7.742  -5.944
  167   1HG   ARG  22          2HG       ARG  22   2.930  -7.981  -7.392
  168   2HG   ARG  22          3HG       ARG  22   2.258  -7.848  -5.758
  169   1HD   ARG  22          2HD       ARG  22   1.792  -5.405  -6.215
  170   2HD   ARG  22          3HD       ARG  22   2.596  -5.551  -7.760
  171    HE   ARG  22           HE       ARG  22   0.856  -6.758  -8.696
  172   1HH1  ARG  22          2HH2      ARG  22  -0.032  -5.771  -5.376
  173   2HH1  ARG  22          1HH2      ARG  22  -1.723  -6.124  -5.701
  174   1HH2  ARG  22          2HH1      ARG  22  -1.225  -7.241  -8.956
  175   2HH2  ARG  22          1HH1      ARG  22  -2.417  -6.933  -7.662
  176    H    LYS  23           HN       LYS  23   6.382  -6.627  -3.682
  177    HA   LYS  23           HA       LYS  23   5.798  -9.049  -2.416
  178   1HB   LYS  23          2HB       LYS  23   8.315  -7.414  -2.080
  179   2HB   LYS  23          3HB       LYS  23   8.111  -9.142  -1.843
  180   1HG   LYS  23          2HG       LYS  23   7.824  -7.725  -4.528
  181   2HG   LYS  23          3HG       LYS  23   9.300  -8.461  -3.948
  182   1HD   LYS  23          2HD       LYS  23   8.287 -10.662  -3.875
  183   2HD   LYS  23          3HD       LYS  23   6.707 -10.025  -4.361
  184   1HE   LYS  23          2HE       LYS  23   9.258  -9.832  -6.053
  185   2HE   LYS  23          3HE       LYS  23   8.042 -11.102  -6.233
  186   1HZ   LYS  23          2HZ       LYS  23   6.414  -9.410  -6.810
  187   2HZ   LYS  23          3HZ       LYS  23   7.559  -8.220  -6.657
  188   3HZ   LYS  23          1HZ       LYS  23   7.638  -9.342  -7.835
  189    H    ALA  24           HN       ALA  24   6.517  -5.618  -1.332
  190    HA   ALA  24           HA       ALA  24   6.157  -6.059   1.434
  191   1HB   ALA  24          2HB       ALA  24   7.000  -3.994   0.453
  192   2HB   ALA  24          3HB       ALA  24   5.399  -3.622  -0.223
  193   3HB   ALA  24          1HB       ALA  24   5.632  -3.686   1.538
  194    H    TYR  25           HN       TYR  25   3.761  -5.070  -1.027
  195    HA   TYR  25           HA       TYR  25   1.463  -5.058   0.508
  196   1HB   TYR  25          2HB       TYR  25   1.483  -4.219  -1.761
  197   2HB   TYR  25          3HB       TYR  25   1.931  -5.791  -2.403
  198    HD1  TYR  25           HD1      TYR  25  -0.861  -4.072  -0.558
  199    HD2  TYR  25           HD2      TYR  25   0.282  -7.272  -3.209
  200    HE1  TYR  25           HE1      TYR  25  -3.243  -4.714  -0.832
  201    HE2  TYR  25           HE2      TYR  25  -2.106  -7.767  -3.640
  202    HH   TYR  25           HH       TYR  25  -4.316  -7.151  -3.223
  203    H    LYS  26           HN       LYS  26   2.921  -7.928  -1.206
  204    HA   LYS  26           HA       LYS  26   0.837  -9.599  -0.451
  205   1HB   LYS  26          2HB       LYS  26   2.494 -10.125  -2.201
  206   2HB   LYS  26          3HB       LYS  26   3.705 -10.483  -0.951
  207   1HG   LYS  26          2HG       LYS  26   2.327 -12.294  -0.074
  208   2HG   LYS  26          3HG       LYS  26   0.962 -11.798  -1.097
  209   1HD   LYS  26          2HD       LYS  26   2.304 -12.370  -3.137
  210   2HD   LYS  26          3HD       LYS  26   3.648 -12.859  -2.098
  211   1HE   LYS  26          2HE       LYS  26   2.409 -14.830  -2.864
  212   2HE   LYS  26          3HE       LYS  26   2.272 -14.671  -1.108
  213   1HZ   LYS  26          3HZ       LYS  26   0.211 -13.804  -3.056
  214   2HZ   LYS  26          1HZ       LYS  26   0.162 -15.206  -2.214
  215   3HZ   LYS  26          2HZ       LYS  26   0.057 -13.767  -1.429
  216    H    ARG  27           HN       ARG  27   3.970  -9.040   1.315
  217    HA   ARG  27           HA       ARG  27   3.350 -10.942   3.367
  218   1HB   ARG  27          2HB       ARG  27   4.993  -9.782   4.790
  219   2HB   ARG  27          3HB       ARG  27   5.625 -10.267   3.214
  220   1HG   ARG  27          2HG       ARG  27   5.557  -8.028   2.400
  221   2HG   ARG  27          3HG       ARG  27   4.734  -7.408   3.835
  222   1HD   ARG  27          2HD       ARG  27   7.504  -8.622   3.925
  223   2HD   ARG  27          3HD       ARG  27   7.165  -6.900   3.658
  224    HE   ARG  27           HE       ARG  27   5.762  -7.452   5.991
  225   1HH1  ARG  27          2HH2      ARG  27   9.086  -7.211   4.843
  226   2HH1  ARG  27          1HH2      ARG  27   9.799  -7.258   6.432
  227   1HH2  ARG  27          2HH1      ARG  27   6.603  -7.110   8.019
  228   2HH2  ARG  27          1HH1      ARG  27   8.341  -7.082   8.312
  229    H    LEU  28           HN       LEU  28   2.793  -7.438   3.083
  230    HA   LEU  28           HA       LEU  28   1.828  -7.170   5.772
  231   1HB   LEU  28          2HB       LEU  28   1.903  -5.437   3.276
  232   2HB   LEU  28          3HB       LEU  28   1.023  -4.929   4.716
  233    HG   LEU  28           HG       LEU  28   3.705  -5.965   5.392
  234   1HD1  LEU  28          3HD1      LEU  28   3.513  -3.516   3.642
  235   2HD1  LEU  28          1HD1      LEU  28   4.906  -3.932   4.678
  236   3HD1  LEU  28          2HD1      LEU  28   4.469  -4.981   3.357
  237   1HD2  LEU  28          3HD2      LEU  28   2.237  -3.360   5.966
  238   2HD2  LEU  28          1HD2      LEU  28   2.232  -4.842   6.973
  239   3HD2  LEU  28          2HD2      LEU  28   3.719  -3.909   6.761
  240    H    ALA  29           HN       ALA  29   0.191  -7.548   2.618
  241    HA   ALA  29           HA       ALA  29  -2.456  -7.184   3.474
  242   1HB   ALA  29          2HB       ALA  29  -1.356  -9.076   1.346
  243   2HB   ALA  29          3HB       ALA  29  -3.067  -8.653   1.550
  244   3HB   ALA  29          1HB       ALA  29  -1.900  -7.395   1.106
  245    H    MET  30           HN       MET  30  -0.493 -10.241   3.468
  246    HA   MET  30           HA       MET  30  -2.673 -11.710   4.618
  247   1HB   MET  30          2HB       MET  30  -1.166 -13.533   4.969
  248   2HB   MET  30          3HB       MET  30  -1.019 -12.873   3.335
  249   1HG   MET  30          2HG       MET  30   1.079 -11.795   3.925
  250   2HG   MET  30          3HG       MET  30   0.912 -12.268   5.619
  251   1HE   MET  30          1HE       MET  30   1.561 -13.470   1.980
  252   2HE   MET  30          2HE       MET  30   1.898 -15.207   2.220
  253   3HE   MET  30          3HE       MET  30   0.247 -14.590   2.445
  254    H    LYS  31           HN       LYS  31   0.142  -9.992   6.027
  255    HA   LYS  31           HA       LYS  31  -0.207 -10.902   8.675
  256   1HB   LYS  31          2HB       LYS  31   1.661  -9.470   7.540
  257   2HB   LYS  31          3HB       LYS  31   0.711  -8.070   8.027
  258   1HG   LYS  31          2HG       LYS  31   1.772 -10.295   9.843
  259   2HG   LYS  31          3HG       LYS  31   2.610  -8.780   9.558
  260   1HD   LYS  31          2HD       LYS  31  -0.094  -9.064  10.964
  261   2HD   LYS  31          3HD       LYS  31   1.478  -8.859  11.709
  262   1HE   LYS  31          2HE       LYS  31   1.763  -6.648  10.642
  263   2HE   LYS  31          3HE       LYS  31   0.171  -6.786   9.869
  264   1HZ   LYS  31          1HZ       LYS  31   0.530  -6.886  12.789
  265   2HZ   LYS  31          2HZ       LYS  31   0.323  -5.491  11.984
  266   3HZ   LYS  31          3HZ       LYS  31  -0.868  -6.643  11.973
  267    H    TYR  32           HN       TYR  32  -1.685  -8.156   6.946
  268    HA   TYR  32           HA       TYR  32  -3.188  -7.326   9.375
  269   1HB   TYR  32          2HB       TYR  32  -2.578  -6.107   6.636
  270   2HB   TYR  32          3HB       TYR  32  -3.781  -5.426   7.708
  271    HD1  TYR  32           HD1      TYR  32  -3.066  -5.057  10.270
  272    HD2  TYR  32           HD2      TYR  32  -0.438  -5.124   6.856
  273    HE1  TYR  32           HE1      TYR  32  -1.512  -3.484  11.404
  274    HE2  TYR  32           HE2      TYR  32   0.888  -3.276   7.863
  275    HH   TYR  32           HH       TYR  32   0.812  -1.607   9.466
  276    H    HIS  33           HN       HIS  33  -3.826  -9.827   7.461
  277    HA   HIS  33           HA       HIS  33  -6.370  -9.008   6.346
  278   1HB   HIS  33          2HB       HIS  33  -4.652 -11.309   6.202
  279   2HB   HIS  33          3HB       HIS  33  -6.188 -11.853   6.824
  280    HD1  HIS  33           HD1      HIS  33  -4.942  -9.546   3.974
  281    HD2  HIS  33           HD2      HIS  33  -7.891 -12.415   4.856
  282    HE1  HIS  33           HE1      HIS  33  -6.266  -9.942   1.802
  283    HA   PRO  34           HA       PRO  34  -8.413  -9.095  10.308
  284   1HB   PRO  34          2HB       PRO  34 -11.016  -9.682   9.586
  285   2HB   PRO  34          3HB       PRO  34 -10.251  -8.081   9.456
  286   1HG   PRO  34          2HG       PRO  34 -10.580 -10.164   7.300
  287   2HG   PRO  34          3HG       PRO  34 -10.875  -8.404   7.183
  288   1HD   PRO  34          2HD       PRO  34  -8.592  -9.556   6.259
  289   2HD   PRO  34          3HD       PRO  34  -8.531  -7.959   7.064
  290    H    ASP  35           HN       ASP  35  -9.429 -11.754   8.115
  291    HA   ASP  35           HA       ASP  35 -10.133 -13.850   8.628
  292   1HB   ASP  35          2HB       ASP  35  -7.766 -14.201   8.148
  293   2HB   ASP  35          3HB       ASP  35  -7.356 -13.925   9.855
  294    H    ARG  36           HN       ARG  36 -11.802 -13.260   9.981
  295    HA   ARG  36           HA       ARG  36 -13.128 -13.113  11.736
  296   1HB   ARG  36          2HB       ARG  36 -12.882 -14.834  13.602
  297   2HB   ARG  36          3HB       ARG  36 -13.152 -15.386  11.948
  298   1HG   ARG  36          2HG       ARG  36 -10.817 -15.874  11.656
  299   2HG   ARG  36          3HG       ARG  36 -10.454 -15.297  13.305
  300   1HD   ARG  36          2HD       ARG  36 -11.751 -17.178  14.221
  301   2HD   ARG  36          3HD       ARG  36 -12.098 -17.766  12.590
  302    HE   ARG  36           HE       ARG  36  -9.595 -17.966  14.093
  303   1HH1  ARG  36          2HH2      ARG  36 -10.913 -18.165  10.855
  304   2HH1  ARG  36          1HH2      ARG  36  -9.454 -17.719  10.090
  305   1HH2  ARG  36          2HH1      ARG  36  -7.512 -17.652  13.012
  306   2HH2  ARG  36          1HH1      ARG  36  -7.527 -17.573  11.283
  307    H    ASN  37           HN       ASN  37 -10.103 -11.766  12.159
  308    HA   ASN  37           HA       ASN  37 -10.660 -10.771  14.883
  309   1HB   ASN  37          2HB       ASN  37  -8.625  -9.750  12.858
  310   2HB   ASN  37          3HB       ASN  37  -8.852  -9.207  14.505
  311   1HD2  ASN  37          2HD2      ASN  37  -7.009 -12.842  13.954
  312   2HD2  ASN  37          1HD2      ASN  37  -8.028 -12.218  12.666
  313    H    GLN  38           HN       GLN  38 -12.878 -10.521  13.832
  314    HA   GLN  38           HA       GLN  38 -13.329  -7.920  12.496
  315   1HB   GLN  38          2HB       GLN  38 -14.563  -9.942  11.774
  316   2HB   GLN  38          3HB       GLN  38 -15.226 -10.147  13.400
  317   1HG   GLN  38          2HG       GLN  38 -16.798  -9.156  11.690
  318   2HG   GLN  38          3HG       GLN  38 -16.614  -8.217  13.168
  319   1HE2  GLN  38          2HE2      GLN  38 -14.722  -6.738   9.810
  320   2HE2  GLN  38          1HE2      GLN  38 -15.112  -8.456   9.840
  321    H    GLY  39           HN       GLY  39 -15.169  -6.567  13.678
  322   1HA   GLY  39          1HA       GLY  39 -16.043  -5.623  15.591
  323   2HA   GLY  39          2HA       GLY  39 -15.140  -6.745  16.617
  324    H    ASP  40           HN       ASP  40 -12.537  -6.427  15.754
  325    HA   ASP  40           HA       ASP  40 -11.541  -4.016  16.719
  326   1HB   ASP  40          2HB       ASP  40 -10.000  -5.798  16.515
  327   2HB   ASP  40          3HB       ASP  40 -10.453  -6.138  14.835
  328    H    LYS  41           HN       LYS  41 -11.437  -4.935  13.267
  329    HA   LYS  41           HA       LYS  41 -12.697  -4.228  11.524
  330   1HB   LYS  41          2HB       LYS  41 -14.342  -3.318  13.185
  331   2HB   LYS  41          3HB       LYS  41 -13.542  -1.744  13.069
  332   1HG   LYS  41          2HG       LYS  41 -14.256  -1.401  10.868
  333   2HG   LYS  41          3HG       LYS  41 -14.589  -3.123  10.585
  334   1HD   LYS  41          2HD       LYS  41 -16.463  -3.167  12.025
  335   2HD   LYS  41          3HD       LYS  41 -16.092  -1.599  12.752
  336   1HE   LYS  41          2HE       LYS  41 -16.857  -1.922   9.814
  337   2HE   LYS  41          3HE       LYS  41 -18.046  -1.695  11.103
  338   1HZ   LYS  41          1HZ       LYS  41 -16.924   0.395  11.686
  339   2HZ   LYS  41          2HZ       LYS  41 -15.930   0.233  10.399
  340   3HZ   LYS  41          3HZ       LYS  41 -17.526   0.425  10.150
  341    H    GLU  42           HN       GLU  42 -10.668  -2.054  13.372
  342    HA   GLU  42           HA       GLU  42  -9.986  -0.372  11.149
  343   1HB   GLU  42          2HB       GLU  42  -8.299   0.621  12.569
  344   2HB   GLU  42          3HB       GLU  42  -9.917   0.614  13.283
  345   1HG   GLU  42          2HG       GLU  42  -9.165  -0.425  15.072
  346   2HG   GLU  42          3HG       GLU  42  -8.612  -1.805  14.126
  347    H    ALA  43           HN       ALA  43  -8.394  -3.256  12.677
  348    HA   ALA  43           HA       ALA  43  -6.109  -3.130  11.260
  349   1HB   ALA  43          1HB       ALA  43  -6.504  -4.624  13.138
  350   2HB   ALA  43          2HB       ALA  43  -7.530  -5.658  12.136
  351   3HB   ALA  43          3HB       ALA  43  -5.799  -5.475  11.761
  352    H    GLU  44           HN       GLU  44  -9.264  -4.561  10.192
  353    HA   GLU  44           HA       GLU  44  -8.291  -5.312   7.593
  354   1HB   GLU  44          2HB       GLU  44 -10.580  -5.966   8.458
  355   2HB   GLU  44          3HB       GLU  44 -11.110  -4.301   8.123
  356   1HG   GLU  44          2HG       GLU  44 -10.366  -4.584   5.733
  357   2HG   GLU  44          3HG       GLU  44  -9.879  -6.240   6.092
  358    H    ALA  45           HN       ALA  45  -9.600  -2.200   8.873
  359    HA   ALA  45           HA       ALA  45  -9.560  -0.821   6.465
  360   1HB   ALA  45          1HB       ALA  45 -10.533  -0.116   8.709
  361   2HB   ALA  45          2HB       ALA  45  -8.917   0.503   9.115
  362   3HB   ALA  45          3HB       ALA  45  -9.781   1.151   7.718
  363    H    LYS  46           HN       LYS  46  -7.006  -1.597   8.680
  364    HA   LYS  46           HA       LYS  46  -4.957   0.071   7.604
  365   1HB   LYS  46          2HB       LYS  46  -5.183  -1.255   9.824
  366   2HB   LYS  46          3HB       LYS  46  -4.469  -2.612   8.969
  367   1HG   LYS  46          2HG       LYS  46  -2.419  -1.503   8.667
  368   2HG   LYS  46          3HG       LYS  46  -3.105   0.108   8.945
  369   1HD   LYS  46          2HD       LYS  46  -3.243  -2.015  11.103
  370   2HD   LYS  46          3HD       LYS  46  -1.795  -1.000  10.923
  371   1HE   LYS  46          2HE       LYS  46  -2.822   0.919  11.561
  372   2HE   LYS  46          3HE       LYS  46  -4.450   0.435  11.068
  373   1HZ   LYS  46          1HZ       LYS  46  -3.078  -0.823  13.350
  374   2HZ   LYS  46          2HZ       LYS  46  -4.042   0.507  13.479
  375   3HZ   LYS  46          3HZ       LYS  46  -4.693  -0.870  12.979
  376    H    PHE  47           HN       PHE  47  -5.923  -3.329   6.986
  377    HA   PHE  47           HA       PHE  47  -4.154  -3.749   4.777
  378   1HB   PHE  47          2HB       PHE  47  -5.177  -5.646   5.742
  379   2HB   PHE  47          3HB       PHE  47  -6.793  -5.001   5.549
  380    HD1  PHE  47           HD2      PHE  47  -4.014  -5.300   2.998
  381    HD2  PHE  47           HD1      PHE  47  -7.938  -6.597   4.273
  382    HE1  PHE  47           HE2      PHE  47  -4.350  -6.449   0.831
  383    HE2  PHE  47           HE1      PHE  47  -8.247  -7.764   2.122
  384    HZ   PHE  47           HZ       PHE  47  -6.470  -7.675   0.381
  385    H    LYS  48           HN       LYS  48  -7.329  -2.084   4.994
  386    HA   LYS  48           HA       LYS  48  -7.660  -1.800   2.171
  387   1HB   LYS  48          2HB       LYS  48  -8.753  -0.012   4.340
  388   2HB   LYS  48          3HB       LYS  48  -9.126   0.097   2.623
  389   1HG   LYS  48          2HG       LYS  48 -10.054  -2.169   2.584
  390   2HG   LYS  48          3HG       LYS  48  -9.443  -2.467   4.192
  391   1HD   LYS  48          2HD       LYS  48 -11.628  -2.045   4.663
  392   2HD   LYS  48          3HD       LYS  48 -10.988  -0.423   4.922
  393   1HE   LYS  48          2HE       LYS  48 -12.326  -1.414   2.366
  394   2HE   LYS  48          3HE       LYS  48 -13.116  -0.511   3.671
  395   1HZ   LYS  48          1HZ       LYS  48 -11.486   1.322   3.193
  396   2HZ   LYS  48          2HZ       LYS  48 -11.094   0.554   1.811
  397   3HZ   LYS  48          3HZ       LYS  48 -12.644   0.982   2.059
  398    H    GLU  49           HN       GLU  49  -6.057   0.330   4.607
  399    HA   GLU  49           HA       GLU  49  -5.188   2.337   2.807
  400   1HB   GLU  49          2HB       GLU  49  -3.973   1.238   5.367
  401   2HB   GLU  49          3HB       GLU  49  -3.340   2.644   4.508
  402   1HG   GLU  49          2HG       GLU  49  -6.237   2.528   5.372
  403   2HG   GLU  49          3HG       GLU  49  -4.931   3.077   6.455
  404    H    ILE  50           HN       ILE  50  -3.640  -0.759   3.758
  405    HA   ILE  50           HA       ILE  50  -1.252  -0.237   2.243
  406    HB   ILE  50           HB       ILE  50  -2.418  -2.786   3.375
  407   1HG1  ILE  50          2HG1      ILE  50  -0.094  -1.089   4.397
  408   2HG1  ILE  50          3HG1      ILE  50  -1.734  -0.694   4.866
  409   1HG2  ILE  50          3HG2      ILE  50   0.409  -2.230   2.366
  410   2HG2  ILE  50          1HG2      ILE  50  -0.099  -3.685   3.236
  411   3HG2  ILE  50          2HG2      ILE  50  -0.745  -3.363   1.634
  412   1HD1  ILE  50          1HD1      ILE  50  -2.016  -3.063   5.708
  413   2HD1  ILE  50          2HD1      ILE  50  -0.257  -3.233   5.481
  414   3HD1  ILE  50          3HD1      ILE  50  -0.902  -2.004   6.588
  415    H    LYS  51           HN       LYS  51  -4.285  -1.883   1.426
  416    HA   LYS  51           HA       LYS  51  -3.589  -2.548  -1.286
  417   1HB   LYS  51          2HB       LYS  51  -5.510  -3.471  -0.153
  418   2HB   LYS  51          3HB       LYS  51  -6.179  -1.868   0.141
  419   1HG   LYS  51          2HG       LYS  51  -7.452  -2.528  -1.548
  420   2HG   LYS  51          3HG       LYS  51  -6.257  -1.617  -2.454
  421   1HD   LYS  51          2HD       LYS  51  -5.034  -3.730  -3.005
  422   2HD   LYS  51          3HD       LYS  51  -6.250  -4.657  -2.106
  423   1HE   LYS  51          2HE       LYS  51  -6.680  -2.997  -4.641
  424   2HE   LYS  51          3HE       LYS  51  -6.843  -4.752  -4.443
  425   1HZ   LYS  51          2HZ       LYS  51  -8.640  -4.020  -2.731
  426   2HZ   LYS  51          3HZ       LYS  51  -8.640  -2.608  -3.581
  427   3HZ   LYS  51          1HZ       LYS  51  -8.988  -4.053  -4.323
  428    H    GLU  52           HN       GLU  52  -5.012   0.397   0.207
  429    HA   GLU  52           HA       GLU  52  -5.532   1.829  -2.140
  430   1HB   GLU  52          2HB       GLU  52  -5.902   2.342   0.530
  431   2HB   GLU  52          3HB       GLU  52  -4.473   3.302   0.267
  432   1HG   GLU  52          2HG       GLU  52  -6.108   4.851  -0.149
  433   2HG   GLU  52          3HG       GLU  52  -5.801   4.285  -1.793
  434    H    ALA  53           HN       ALA  53  -2.695   1.704  -0.042
  435    HA   ALA  53           HA       ALA  53  -1.016   3.451  -1.353
  436   1HB   ALA  53          2HB       ALA  53  -0.442   0.929   0.274
  437   2HB   ALA  53          3HB       ALA  53   0.818   2.029  -0.243
  438   3HB   ALA  53          1HB       ALA  53  -0.449   2.597   0.859
  439    H    TYR  54           HN       TYR  54  -1.148  -0.122  -1.717
  440    HA   TYR  54           HA       TYR  54   0.714  -0.293  -3.820
  441   1HB   TYR  54          2HB       TYR  54  -0.081  -2.313  -2.768
  442   2HB   TYR  54          3HB       TYR  54  -1.758  -1.951  -3.169
  443    HD1  TYR  54           HD2      TYR  54   1.521  -2.295  -4.932
  444    HD2  TYR  54           HD1      TYR  54  -2.726  -2.888  -5.125
  445    HE1  TYR  54           HE2      TYR  54   1.750  -3.055  -7.243
  446    HE2  TYR  54           HE1      TYR  54  -2.502  -3.626  -7.477
  447    HH   TYR  54           HH       TYR  54   0.696  -3.829  -9.110
  448    H    GLU  55           HN       GLU  55  -2.838   0.455  -3.958
  449    HA   GLU  55           HA       GLU  55  -3.093   0.146  -6.718
  450   1HB   GLU  55          2HB       GLU  55  -4.879  -0.295  -5.271
  451   2HB   GLU  55          3HB       GLU  55  -4.578   1.147  -4.331
  452   1HG   GLU  55          2HG       GLU  55  -5.248   2.621  -5.937
  453   2HG   GLU  55          3HG       GLU  55  -5.532   1.272  -7.099
  454    H    VAL  56           HN       VAL  56  -2.477   2.951  -4.534
  455    HA   VAL  56           HA       VAL  56  -2.661   5.014  -6.546
  456    HB   VAL  56           HB       VAL  56  -1.162   4.906  -3.898
  457   1HG1  VAL  56          2HG1      VAL  56  -1.282   7.007  -6.086
  458   2HG1  VAL  56          3HG1      VAL  56  -1.075   7.482  -4.397
  459   3HG1  VAL  56          1HG1      VAL  56   0.126   6.443  -5.168
  460   1HG2  VAL  56          3HG2      VAL  56  -3.709   6.149  -4.959
  461   2HG2  VAL  56          1HG2      VAL  56  -3.556   5.012  -3.628
  462   3HG2  VAL  56          2HG2      VAL  56  -2.971   6.669  -3.435
  463    H    LEU  57           HN       LEU  57  -0.047   2.888  -5.269
  464    HA   LEU  57           HA       LEU  57   1.980   4.004  -6.992
  465   1HB   LEU  57          2HB       LEU  57   1.901   1.426  -5.426
  466   2HB   LEU  57          3HB       LEU  57   3.315   2.085  -6.263
  467    HG   LEU  57           HG       LEU  57   1.850   3.413  -3.929
  468   1HD1  LEU  57          1HD1      LEU  57   4.579   2.167  -4.350
  469   2HD1  LEU  57          2HD1      LEU  57   4.012   2.942  -2.848
  470   3HD1  LEU  57          3HD1      LEU  57   3.207   1.476  -3.442
  471   1HD2  LEU  57          2HD2      LEU  57   4.080   4.467  -5.696
  472   2HD2  LEU  57          3HD2      LEU  57   2.526   5.242  -5.295
  473   3HD2  LEU  57          1HD2      LEU  57   3.745   5.058  -4.046
  474    H    THR  58           HN       THR  58  -0.664   2.360  -8.119
  475    HA   THR  58           HA       THR  58   1.035   1.821 -10.525
  476    HB   THR  58           HB       THR  58  -0.434   0.028 -11.120
  477    HG1  THR  58          1HG       THR  58  -1.941  -0.741  -9.594
  478   1HG2  THR  58          2HG2      THR  58   1.574  -0.222  -9.483
  479   2HG2  THR  58          3HG2      THR  58   0.393  -0.379  -8.192
  480   3HG2  THR  58          1HG2      THR  58   0.411  -1.551  -9.516
  481    H    ASP  59           HN       ASP  59  -0.870   4.055  -9.197
  482    HA   ASP  59           HA       ASP  59  -2.769   4.410 -11.420
  483   1HB   ASP  59          2HB       ASP  59  -3.033   4.840  -8.783
  484   2HB   ASP  59          3HB       ASP  59  -2.415   6.435  -9.213
  485    H    SER  60           HN       SER  60  -2.870   7.040 -11.783
  486    HA   SER  60           HA       SER  60  -0.269   7.623 -13.132
  487   1HB   SER  60          2HB       SER  60  -2.270   7.445 -14.502
  488   2HB   SER  60          3HB       SER  60  -3.041   8.780 -13.633
  489    HG   SER  60           HG       SER  60  -0.529   8.943 -14.980
  490    H    GLN  61           HN       GLN  61  -2.831   9.745 -11.699
  491    HA   GLN  61           HA       GLN  61  -0.880  11.841 -11.606
  492   1HB   GLN  61          2HB       GLN  61  -3.144  12.118 -12.408
  493   2HB   GLN  61          3HB       GLN  61  -3.825  11.678 -10.824
  494   1HG   GLN  61          2HG       GLN  61  -2.817  13.585  -9.780
  495   2HG   GLN  61          3HG       GLN  61  -1.920  13.980 -11.266
  496   1HE2  GLN  61          2HE2      GLN  61  -4.787  16.314 -11.316
  497   2HE2  GLN  61          1HE2      GLN  61  -3.425  16.005 -10.255
  498    H    LYS  62           HN       LYS  62  -2.885  10.181  -9.149
  499    HA   LYS  62           HA       LYS  62  -1.982  11.390  -6.749
  500   1HB   LYS  62          2HB       LYS  62  -2.576   8.488  -7.455
  501   2HB   LYS  62          3HB       LYS  62  -2.312   9.053  -5.797
  502   1HG   LYS  62          2HG       LYS  62  -4.237  10.490  -5.877
  503   2HG   LYS  62          3HG       LYS  62  -4.595  10.026  -7.550
  504   1HD   LYS  62          2HD       LYS  62  -4.459   8.116  -5.151
  505   2HD   LYS  62          3HD       LYS  62  -5.953   8.748  -5.854
  506   1HE   LYS  62          2HE       LYS  62  -5.165   7.759  -8.080
  507   2HE   LYS  62          3HE       LYS  62  -4.004   6.810  -7.162
  508   1HZ   LYS  62          1HZ       LYS  62  -6.933   6.755  -6.753
  509   2HZ   LYS  62          2HZ       LYS  62  -6.074   5.704  -7.665
  510   3HZ   LYS  62          3HZ       LYS  62  -5.874   5.745  -6.025
  511    H    ARG  63           HN       ARG  63  -0.437   9.156  -8.923
  512    HA   ARG  63           HA       ARG  63   1.434   8.051  -6.999
  513   1HB   ARG  63          2HB       ARG  63   0.255   6.969  -8.955
  514   2HB   ARG  63          3HB       ARG  63   1.446   7.720 -10.010
  515   1HG   ARG  63          2HG       ARG  63   2.158   6.000  -7.613
  516   2HG   ARG  63          3HG       ARG  63   1.715   5.292  -9.172
  517   1HD   ARG  63          2HD       ARG  63   3.709   6.865 -10.066
  518   2HD   ARG  63          3HD       ARG  63   4.158   6.849  -8.363
  519    HE   ARG  63           HE       ARG  63   5.066   4.785  -8.639
  520   1HH1  ARG  63          2HH2      ARG  63   2.747   5.208 -11.282
  521   2HH1  ARG  63          1HH2      ARG  63   2.731   3.531 -11.742
  522   1HH2  ARG  63          2HH1      ARG  63   5.251   2.736  -9.312
  523   2HH2  ARG  63          1HH1      ARG  63   4.136   2.011 -10.466
  524    H    ALA  64           HN       ALA  64   1.443  10.717  -9.305
  525    HA   ALA  64           HA       ALA  64   4.308  11.041  -9.055
  526   1HB   ALA  64          1HB       ALA  64   3.344  10.821 -11.323
  527   2HB   ALA  64          2HB       ALA  64   2.282  12.212 -11.011
  528   3HB   ALA  64          3HB       ALA  64   4.039  12.443 -11.086
  529    H    ALA  65           HN       ALA  65   1.262  12.910  -8.730
  530    HA   ALA  65           HA       ALA  65   2.452  15.376  -8.308
  531   1HB   ALA  65          2HB       ALA  65  -0.010  15.013  -8.608
  532   2HB   ALA  65          3HB       ALA  65  -0.099  14.317  -6.977
  533   3HB   ALA  65          1HB       ALA  65   0.337  16.025  -7.191
  534    H    TYR  66           HN       TYR  66   1.621  12.922  -5.870
  535    HA   TYR  66           HA       TYR  66   2.606  14.197  -3.579
  536   1HB   TYR  66          2HB       TYR  66   1.373  12.120  -3.479
  537   2HB   TYR  66          3HB       TYR  66   2.635  11.278  -4.378
  538    HD1  TYR  66           HD2      TYR  66   2.213  13.313  -1.240
  539    HD2  TYR  66           HD1      TYR  66   4.314  10.079  -3.166
  540    HE1  TYR  66           HE2      TYR  66   3.265  12.720   0.910
  541    HE2  TYR  66           HE1      TYR  66   5.474   9.575  -1.039
  542    HH   TYR  66           HH       TYR  66   5.690  10.139   1.265
  543    H    ASP  67           HN       ASP  67   4.268  12.177  -5.981
  544    HA   ASP  67           HA       ASP  67   6.655  11.764  -4.545
  545   1HB   ASP  67          2HB       ASP  67   5.540  10.576  -6.621
  546   2HB   ASP  67          3HB       ASP  67   6.468  11.735  -7.578
  547    H    GLN  68           HN       GLN  68   5.664  14.167  -7.012
  548    HA   GLN  68           HA       GLN  68   8.195  15.549  -7.022
  549   1HB   GLN  68          2HB       GLN  68   6.471  15.581  -8.894
  550   2HB   GLN  68          3HB       GLN  68   5.435  16.550  -7.859
  551   1HG   GLN  68          2HG       GLN  68   7.331  18.172  -7.567
  552   2HG   GLN  68          3HG       GLN  68   8.283  17.220  -8.708
  553   1HE2  GLN  68          2HE2      GLN  68   6.211  20.182 -10.275
  554   2HE2  GLN  68          1HE2      GLN  68   7.103  20.118  -8.779
  555    H    TYR  69           HN       TYR  69   4.926  16.578  -5.866
  556    HA   TYR  69           HA       TYR  69   5.886  17.695  -3.360
  557   1HB   TYR  69          2HB       TYR  69   5.089  19.343  -5.800
  558   2HB   TYR  69          3HB       TYR  69   5.042  19.961  -4.168
  559    HD1  TYR  69           HD2      TYR  69   7.450  19.385  -2.837
  560    HD2  TYR  69           HD1      TYR  69   6.737  20.509  -6.921
  561    HE1  TYR  69           HE2      TYR  69   9.721  20.330  -2.973
  562    HE2  TYR  69           HE1      TYR  69   9.071  21.340  -7.110
  563    HH   TYR  69           HH       TYR  69  11.194  21.481  -4.253
  564    H    GLY  70           HN       GLY  70   4.067  15.938  -3.044
  565   1HA   GLY  70          1HA       GLY  70   1.937  15.693  -2.080
  566   2HA   GLY  70          2HA       GLY  70   2.009  17.417  -1.856
  567    H    HIS  71           HN       HIS  71   0.762  18.717  -3.016
  568    HA   HIS  71           HA       HIS  71  -0.265  17.951  -5.621
  569   1HB   HIS  71          2HB       HIS  71  -2.593  18.704  -5.096
  570   2HB   HIS  71          3HB       HIS  71  -2.124  17.161  -4.397
  571    HD1  HIS  71           HD1      HIS  71  -3.415  20.542  -3.358
  572    HD2  HIS  71           HD2      HIS  71  -1.601  17.132  -1.671
  573    HE1  HIS  71           HE1      HIS  71  -3.860  20.630  -0.842
  574    H    ALA  72           HN       ALA  72   1.703  19.486  -5.381
  575    HA   ALA  72           HA       ALA  72   0.642  21.931  -6.556
  576   1HB   ALA  72          2HB       ALA  72   2.812  22.124  -4.407
  577   2HB   ALA  72          3HB       ALA  72   2.279  23.412  -5.494
  578   3HB   ALA  72          1HB       ALA  72   1.160  22.774  -4.271
  579    H    ALA  73           HN       ALA  73   1.153  20.232  -8.072
  580    HA   ALA  73           HA       ALA  73   3.884  20.224  -9.143
  581   1HB   ALA  73          2HB       ALA  73   2.485  17.723  -8.060
  582   2HB   ALA  73          3HB       ALA  73   3.848  17.682  -9.197
  583   3HB   ALA  73          1HB       ALA  73   4.055  18.371  -7.568
  584    H    PHE  74           HN       PHE  74   0.731  18.409  -9.278
  585    HA   PHE  74           HA       PHE  74   0.560  18.875 -12.199
  586   1HB   PHE  74          2HB       PHE  74   0.520  16.313 -10.537
  587   2HB   PHE  74          3HB       PHE  74   0.034  16.431 -12.193
  588    HD1  PHE  74           HD1      PHE  74   2.174  18.099 -13.453
  589    HD2  PHE  74           HD2      PHE  74   2.459  14.932 -10.542
  590    HE1  PHE  74           HE1      PHE  74   4.551  17.815 -13.998
  591    HE2  PHE  74           HE2      PHE  74   4.884  14.714 -11.037
  592    HZ   PHE  74           HZ       PHE  74   5.917  16.101 -12.813
  593    H    GLU  75           HN       GLU  75  -0.864  20.462 -10.963
  594    HA   GLU  75           HA       GLU  75  -3.567  19.301 -10.427
  595   1HB   GLU  75          2HB       GLU  75  -2.115  21.792  -9.425
  596   2HB   GLU  75          3HB       GLU  75  -3.856  21.603  -9.252
  597   1HG   GLU  75          2HG       GLU  75  -2.980  20.798  -7.227
  598   2HG   GLU  75          3HG       GLU  75  -3.403  19.344  -8.116
  599    H    GLN  76           HN       GLN  76  -2.051  19.996 -13.064
  600    HA   GLN  76           HA       GLN  76  -4.243  21.359 -14.358
  601   1HB   GLN  76          2HB       GLN  76  -2.346  21.138 -16.230
  602   2HB   GLN  76          3HB       GLN  76  -2.489  22.563 -15.200
  603   1HG   GLN  76          2HG       GLN  76  -0.610  20.258 -14.518
  604   2HG   GLN  76          3HG       GLN  76  -0.145  21.583 -15.566
  605   1HE2  GLN  76          2HE2      GLN  76   0.119  24.101 -13.119
  606   2HE2  GLN  76          1HE2      GLN  76  -0.311  23.806 -14.776
   
  No H/Q in entry =         606
  Start of MODEL    2
    1   1H    ALA   2          2HN       ALA   2   6.154   5.586   8.383
    2   2H    ALA   2          3HN       ALA   2   5.258   6.608   9.320
    3   3H    ALA   2          1HN       ALA   2   4.735   5.069   9.076
    4    HA   ALA   2           HA       ALA   2   4.372   5.604   6.732
    5   1HB   ALA   2          1HB       ALA   2   2.568   6.239   8.390
    6   2HB   ALA   2          2HB       ALA   2   3.200   7.898   8.312
    7   3HB   ALA   2          3HB       ALA   2   2.579   7.124   6.857
    8    H    LYS   3           HN       LYS   3   4.620   7.323   5.015
    9    HA   LYS   3           HA       LYS   3   6.466   9.525   5.556
   10   1HB   LYS   3          2HB       LYS   3   7.064   7.334   3.529
   11   2HB   LYS   3          3HB       LYS   3   7.914   8.878   3.671
   12   1HG   LYS   3          2HG       LYS   3   9.004   8.269   5.703
   13   2HG   LYS   3          3HG       LYS   3   7.929   6.919   5.973
   14   1HD   LYS   3          2HD       LYS   3   9.728   5.780   5.170
   15   2HD   LYS   3          3HD       LYS   3   8.853   5.981   3.660
   16   1HE   LYS   3          2HE       LYS   3  11.272   7.529   4.691
   17   2HE   LYS   3          3HE       LYS   3  11.215   6.383   3.352
   18   1HZ   LYS   3          2HZ       LYS   3   9.706   8.068   2.220
   19   2HZ   LYS   3          3HZ       LYS   3  10.145   9.088   3.445
   20   3HZ   LYS   3          1HZ       LYS   3  11.294   8.493   2.473
   21    H    GLN   4           HN       GLN   4   6.531  10.897   3.633
   22    HA   GLN   4           HA       GLN   4   4.247  11.517   2.307
   23   1HB   GLN   4          2HB       GLN   4   6.719  12.503   2.358
   24   2HB   GLN   4          3HB       GLN   4   6.904  11.666   0.828
   25   1HG   GLN   4          2HG       GLN   4   4.593  13.605   1.362
   26   2HG   GLN   4          3HG       GLN   4   6.205  14.185   0.968
   27   1HE2  GLN   4          2HE2      GLN   4   3.968  12.852  -2.076
   28   2HE2  GLN   4          1HE2      GLN   4   3.278  12.992  -0.441
   29    H    ASP   5           HN       ASP   5   3.404  11.086   0.237
   30    HA   ASP   5           HA       ASP   5   2.192   9.562  -0.883
   31   1HB   ASP   5          2HB       ASP   5   3.870  10.664  -2.354
   32   2HB   ASP   5          3HB       ASP   5   4.928   9.301  -2.060
   33    H    TYR   6           HN       TYR   6   2.724   8.293   1.442
   34    HA   TYR   6           HA       TYR   6   2.142   6.175   2.283
   35   1HB   TYR   6          2HB       TYR   6   1.399   5.668  -0.581
   36   2HB   TYR   6          3HB       TYR   6   0.738   4.963   0.891
   37    HD1  TYR   6           HD2      TYR   6   0.683   7.944   2.292
   38    HD2  TYR   6           HD1      TYR   6  -0.941   6.094  -1.258
   39    HE1  TYR   6           HE2      TYR   6  -1.413   9.163   2.611
   40    HE2  TYR   6           HE1      TYR   6  -3.024   7.395  -0.947
   41    HH   TYR   6           HH       TYR   6  -4.290   8.458   0.685
   42    H    TYR   7           HN       TYR   7   5.026   6.305   0.762
   43    HA   TYR   7           HA       TYR   7   5.576   3.597  -0.128
   44   1HB   TYR   7          2HB       TYR   7   7.221   5.812   1.203
   45   2HB   TYR   7          3HB       TYR   7   7.909   4.267   0.760
   46    HD1  TYR   7           HD2      TYR   7   5.619   5.023  -1.864
   47    HD2  TYR   7           HD1      TYR   7   9.369   6.342  -0.235
   48    HE1  TYR   7           HE2      TYR   7   6.389   5.625  -4.119
   49    HE2  TYR   7           HE1      TYR   7  10.091   7.053  -2.496
   50    HH   TYR   7           HH       TYR   7   9.344   7.442  -4.712
   51    H    GLU   8           HN       GLU   8   5.875   5.066   3.109
   52    HA   GLU   8           HA       GLU   8   6.858   2.534   4.034
   53   1HB   GLU   8          2HB       GLU   8   6.915   5.249   4.897
   54   2HB   GLU   8          3HB       GLU   8   5.971   4.384   6.108
   55   1HG   GLU   8          2HG       GLU   8   7.716   2.613   6.100
   56   2HG   GLU   8          3HG       GLU   8   8.731   3.667   5.103
   57    H    ILE   9           HN       ILE   9   3.765   3.988   3.800
   58    HA   ILE   9           HA       ILE   9   2.434   3.089   6.052
   59    HB   ILE   9           HB       ILE   9   1.558   3.741   3.220
   60   1HG1  ILE   9          2HG1      ILE   9   1.488   5.141   5.939
   61   2HG1  ILE   9          3HG1      ILE   9   2.415   5.616   4.508
   62   1HG2  ILE   9          2HG2      ILE   9  -0.100   2.158   4.147
   63   2HG2  ILE   9          3HG2      ILE   9  -0.301   3.280   5.530
   64   3HG2  ILE   9          1HG2      ILE   9  -0.736   3.759   3.867
   65   1HD1  ILE   9          2HD1      ILE   9   0.093   5.797   3.352
   66   2HD1  ILE   9          3HD1      ILE   9  -0.570   5.748   5.002
   67   3HD1  ILE   9          1HD1      ILE   9   0.542   7.048   4.535
   68    H    LEU  10           HN       LEU  10   2.710   1.413   2.833
   69    HA   LEU  10           HA       LEU  10   1.220  -0.772   3.769
   70   1HB   LEU  10          2HB       LEU  10   1.974  -1.960   1.869
   71   2HB   LEU  10          3HB       LEU  10   1.262  -0.422   1.450
   72    HG   LEU  10           HG       LEU  10   4.228  -0.459   1.761
   73   1HD1  LEU  10          1HD1      LEU  10   3.730  -2.631   0.668
   74   2HD1  LEU  10          2HD1      LEU  10   2.819  -1.789  -0.600
   75   3HD1  LEU  10          3HD1      LEU  10   4.566  -1.522  -0.430
   76   1HD2  LEU  10          2HD2      LEU  10   2.943   1.527   0.990
   77   2HD2  LEU  10          3HD2      LEU  10   4.162   1.020  -0.154
   78   3HD2  LEU  10          1HD2      LEU  10   2.456   0.631  -0.464
   79    H    GLY  11           HN       GLY  11   4.644   0.002   4.196
   80   1HA   GLY  11          1HA       GLY  11   5.681  -0.878   6.158
   81   2HA   GLY  11          2HA       GLY  11   4.805  -2.398   5.997
   82    H    VAL  12           HN       VAL  12   7.140  -0.290   4.288
   83    HA   VAL  12           HA       VAL  12   8.669  -2.575   3.308
   84    HB   VAL  12           HB       VAL  12   6.781  -2.289   1.778
   85   1HG1  VAL  12          3HG1      VAL  12   6.395   0.088   2.130
   86   2HG1  VAL  12          1HG1      VAL  12   7.768   0.482   1.066
   87   3HG1  VAL  12          2HG1      VAL  12   6.354  -0.388   0.445
   88   1HG2  VAL  12          1HG2      VAL  12   8.905  -3.083   0.862
   89   2HG2  VAL  12          2HG2      VAL  12   7.911  -2.238  -0.325
   90   3HG2  VAL  12          3HG2      VAL  12   9.314  -1.416   0.368
   91    H    SER  13           HN       SER  13  10.570  -1.665   2.016
   92    HA   SER  13           HA       SER  13  12.053  -0.093   3.793
   93   1HB   SER  13          2HB       SER  13  12.806  -1.758   1.952
   94   2HB   SER  13          3HB       SER  13  12.763  -0.367   0.858
   95    HG   SER  13           HG       SER  13  14.382  -0.886   3.140
   96    H    LYS  14           HN       LYS  14  13.352   1.901   2.905
   97    HA   LYS  14           HA       LYS  14  11.634   4.010   3.384
   98   1HB   LYS  14          2HB       LYS  14  14.312   4.057   1.949
   99   2HB   LYS  14          3HB       LYS  14  13.498   5.470   2.643
  100   1HG   LYS  14          2HG       LYS  14  13.568   4.261   4.898
  101   2HG   LYS  14          3HG       LYS  14  14.692   3.112   4.165
  102   1HD   LYS  14          2HD       LYS  14  14.987   6.138   4.453
  103   2HD   LYS  14          3HD       LYS  14  15.936   4.928   5.309
  104   1HE   LYS  14          2HE       LYS  14  15.982   5.412   2.274
  105   2HE   LYS  14          3HE       LYS  14  17.138   6.071   3.418
  106   1HZ   LYS  14          3HZ       LYS  14  16.785   3.163   2.958
  107   2HZ   LYS  14          1HZ       LYS  14  17.985   4.105   2.349
  108   3HZ   LYS  14          2HZ       LYS  14  17.893   3.934   3.946
  109    H    THR  15           HN       THR  15  13.042   3.100   0.211
  110    HA   THR  15           HA       THR  15  11.050   4.629  -1.329
  111    HB   THR  15           HB       THR  15  13.015   5.829  -2.407
  112    HG1  THR  15          1HG       THR  15  14.945   5.820  -1.341
  113   1HG2  THR  15          1HG2      THR  15  11.560   6.931  -0.623
  114   2HG2  THR  15          2HG2      THR  15  12.799   6.496   0.566
  115   3HG2  THR  15          3HG2      THR  15  13.193   7.588  -0.761
  116    H    ALA  16           HN       ALA  16  10.895   2.155  -1.279
  117    HA   ALA  16           HA       ALA  16  12.856   0.515  -2.556
  118   1HB   ALA  16          3HB       ALA  16  11.058  -0.129  -0.844
  119   2HB   ALA  16          1HB       ALA  16   9.909  -0.110  -2.202
  120   3HB   ALA  16          2HB       ALA  16  11.318  -1.203  -2.216
  121    H    GLU  17           HN       GLU  17  12.368  -0.843  -4.554
  122    HA   GLU  17           HA       GLU  17  11.356   0.705  -6.777
  123   1HB   GLU  17          2HB       GLU  17  13.128  -1.336  -6.642
  124   2HB   GLU  17          3HB       GLU  17  11.663  -2.311  -6.774
  125   1HG   GLU  17          2HG       GLU  17  11.211  -0.488  -8.734
  126   2HG   GLU  17          3HG       GLU  17  12.975  -0.425  -8.688
  127    H    GLU  18           HN       GLU  18   9.325   0.171  -7.901
  128    HA   GLU  18           HA       GLU  18   7.061  -0.349  -6.358
  129   1HB   GLU  18          2HB       GLU  18   7.208   0.505  -8.817
  130   2HB   GLU  18          3HB       GLU  18   7.255  -1.214  -9.260
  131   1HG   GLU  18          2HG       GLU  18   5.102  -1.148  -7.515
  132   2HG   GLU  18          3HG       GLU  18   5.001   0.456  -8.251
  133    H    ARG  19           HN       ARG  19   9.136  -2.542  -8.218
  134    HA   ARG  19           HA       ARG  19   7.904  -4.981  -8.046
  135   1HB   ARG  19          2HB       ARG  19   9.942  -4.700  -9.175
  136   2HB   ARG  19          3HB       ARG  19  10.785  -4.115  -7.751
  137   1HG   ARG  19          2HG       ARG  19   9.733  -6.911  -7.516
  138   2HG   ARG  19          3HG       ARG  19  10.905  -6.602  -8.780
  139   1HD   ARG  19          2HD       ARG  19  12.394  -5.458  -7.033
  140   2HD   ARG  19          3HD       ARG  19  11.279  -6.067  -5.796
  141    HE   ARG  19           HE       ARG  19  12.303  -8.097  -7.654
  142   1HH1  ARG  19          2HH2      ARG  19  13.589  -6.136  -4.939
  143   2HH1  ARG  19          1HH2      ARG  19  14.157  -7.557  -4.096
  144   1HH2  ARG  19          2HH1      ARG  19  13.529  -9.849  -6.628
  145   2HH2  ARG  19          1HH1      ARG  19  14.200  -9.545  -5.034
  146    H    GLU  20           HN       GLU  20   9.547  -3.266  -5.378
  147    HA   GLU  20           HA       GLU  20   9.242  -5.551  -3.549
  148   1HB   GLU  20          2HB       GLU  20  11.302  -4.200  -3.628
  149   2HB   GLU  20          3HB       GLU  20  10.350  -2.776  -3.166
  150   1HG   GLU  20          2HG       GLU  20   9.732  -3.995  -1.027
  151   2HG   GLU  20          3HG       GLU  20  10.813  -5.306  -1.542
  152    H    ILE  21           HN       ILE  21   7.836  -2.309  -4.167
  153    HA   ILE  21           HA       ILE  21   6.165  -2.066  -1.890
  154    HB   ILE  21           HB       ILE  21   5.708  -1.314  -4.827
  155   1HG1  ILE  21          2HG1      ILE  21   7.555  -0.066  -3.874
  156   2HG1  ILE  21          3HG1      ILE  21   6.160   0.980  -4.148
  157   1HG2  ILE  21          1HG2      ILE  21   3.893  -0.601  -2.528
  158   2HG2  ILE  21          2HG2      ILE  21   3.946   0.232  -4.093
  159   3HG2  ILE  21          3HG2      ILE  21   3.505  -1.463  -4.020
  160   1HD1  ILE  21          1HD1      ILE  21   5.555   0.505  -1.676
  161   2HD1  ILE  21          2HD1      ILE  21   7.207  -0.139  -1.547
  162   3HD1  ILE  21          3HD1      ILE  21   6.937   1.561  -1.986
  163    H    ARG  22           HN       ARG  22   5.563  -3.489  -5.009
  164    HA   ARG  22           HA       ARG  22   2.999  -4.481  -4.720
  165   1HB   ARG  22          2HB       ARG  22   4.462  -4.160  -6.713
  166   2HB   ARG  22          3HB       ARG  22   5.370  -5.613  -6.301
  167   1HG   ARG  22          2HG       ARG  22   3.566  -7.015  -6.909
  168   2HG   ARG  22          3HG       ARG  22   2.376  -5.702  -6.770
  169   1HD   ARG  22          2HD       ARG  22   3.449  -4.513  -8.724
  170   2HD   ARG  22          3HD       ARG  22   4.684  -5.735  -8.782
  171    HE   ARG  22           HE       ARG  22   3.289  -7.169  -9.932
  172   1HH1  ARG  22          2HH2      ARG  22   1.386  -4.578  -8.493
  173   2HH1  ARG  22          1HH2      ARG  22  -0.136  -5.093  -9.128
  174   1HH2  ARG  22          2HH1      ARG  22   1.282  -7.677 -11.061
  175   2HH2  ARG  22          1HH1      ARG  22  -0.216  -7.198 -10.244
  176    H    LYS  23           HN       LYS  23   6.158  -6.124  -3.999
  177    HA   LYS  23           HA       LYS  23   4.915  -8.432  -3.050
  178   1HB   LYS  23          2HB       LYS  23   7.695  -7.440  -3.167
  179   2HB   LYS  23          3HB       LYS  23   7.347  -8.494  -1.796
  180   1HG   LYS  23          2HG       LYS  23   8.056  -9.893  -3.559
  181   2HG   LYS  23          3HG       LYS  23   6.352 -10.198  -3.282
  182   1HD   LYS  23          2HD       LYS  23   5.711  -8.757  -5.195
  183   2HD   LYS  23          3HD       LYS  23   7.406  -8.341  -5.454
  184   1HE   LYS  23          2HE       LYS  23   6.311 -11.182  -5.548
  185   2HE   LYS  23          3HE       LYS  23   6.386 -10.160  -6.967
  186   1HZ   LYS  23          3HZ       LYS  23   8.932 -10.266  -5.635
  187   2HZ   LYS  23          1HZ       LYS  23   8.379 -11.750  -6.052
  188   3HZ   LYS  23          2HZ       LYS  23   8.537 -10.576  -7.202
  189    H    ALA  24           HN       ALA  24   5.880  -5.405  -1.287
  190    HA   ALA  24           HA       ALA  24   5.538  -6.605   1.305
  191   1HB   ALA  24          2HB       ALA  24   5.569  -3.752   0.291
  192   2HB   ALA  24          3HB       ALA  24   5.337  -4.181   2.008
  193   3HB   ALA  24          1HB       ALA  24   6.837  -4.629   1.163
  194    H    TYR  25           HN       TYR  25   3.394  -4.444  -0.657
  195    HA   TYR  25           HA       TYR  25   1.153  -4.626   1.037
  196   1HB   TYR  25          2HB       TYR  25   0.788  -3.188  -0.681
  197   2HB   TYR  25          3HB       TYR  25   1.529  -4.217  -1.904
  198    HD1  TYR  25           HD1      TYR  25  -1.647  -3.720   0.048
  199    HD2  TYR  25           HD2      TYR  25   0.258  -5.697  -3.280
  200    HE1  TYR  25           HE1      TYR  25  -3.798  -4.741  -0.587
  201    HE2  TYR  25           HE2      TYR  25  -1.899  -6.732  -3.890
  202    HH   TYR  25           HH       TYR  25  -4.020  -7.194  -3.167
  203    H    LYS  26           HN       LYS  26   1.897  -6.842  -1.715
  204    HA   LYS  26           HA       LYS  26  -0.290  -8.491  -1.318
  205   1HB   LYS  26          2HB       LYS  26   1.343  -8.440  -3.279
  206   2HB   LYS  26          3HB       LYS  26   2.434  -9.427  -2.301
  207   1HG   LYS  26          2HG       LYS  26   1.245 -10.855  -3.779
  208   2HG   LYS  26          3HG       LYS  26   0.603 -11.181  -2.175
  209   1HD   LYS  26          2HD       LYS  26  -1.442 -10.132  -2.596
  210   2HD   LYS  26          3HD       LYS  26  -0.827  -9.119  -3.906
  211   1HE   LYS  26          2HE       LYS  26  -0.977 -12.160  -4.115
  212   2HE   LYS  26          3HE       LYS  26  -2.345 -11.130  -4.546
  213   1HZ   LYS  26          2HZ       LYS  26   0.277 -10.703  -5.815
  214   2HZ   LYS  26          3HZ       LYS  26  -0.723 -11.851  -6.332
  215   3HZ   LYS  26          1HZ       LYS  26  -1.226 -10.274  -6.349
  216    H    ARG  27           HN       ARG  27   2.958  -8.645   0.212
  217    HA   ARG  27           HA       ARG  27   2.492 -11.132   1.502
  218   1HB   ARG  27          2HB       ARG  27   4.710 -10.011   1.173
  219   2HB   ARG  27          3HB       ARG  27   4.359  -8.948   2.534
  220   1HG   ARG  27          2HG       ARG  27   4.192 -11.998   2.700
  221   2HG   ARG  27          3HG       ARG  27   5.719 -11.154   2.865
  222   1HD   ARG  27          2HD       ARG  27   5.208 -10.101   4.808
  223   2HD   ARG  27          3HD       ARG  27   3.478 -10.215   4.698
  224    HE   ARG  27           HE       ARG  27   5.156 -11.928   6.071
  225   1HH1  ARG  27          2HH2      ARG  27   2.210 -12.082   4.042
  226   2HH1  ARG  27          1HH2      ARG  27   1.902 -13.762   4.475
  227   1HH2  ARG  27          2HH1      ARG  27   4.435 -14.138   6.790
  228   2HH2  ARG  27          1HH1      ARG  27   3.097 -14.848   5.893
  229    H    LEU  28           HN       LEU  28   2.097  -7.721   2.735
  230    HA   LEU  28           HA       LEU  28   1.378  -8.517   5.346
  231   1HB   LEU  28          2HB       LEU  28   0.841  -6.006   3.726
  232   2HB   LEU  28          3HB       LEU  28   0.008  -6.302   5.248
  233    HG   LEU  28           HG       LEU  28   2.378  -6.785   6.260
  234   1HD1  LEU  28          1HD1      LEU  28   3.061  -5.054   3.847
  235   2HD1  LEU  28          2HD1      LEU  28   4.132  -5.383   5.227
  236   3HD1  LEU  28          3HD1      LEU  28   3.640  -6.711   4.169
  237   1HD2  LEU  28          1HD2      LEU  28   1.227  -4.084   5.551
  238   2HD2  LEU  28          2HD2      LEU  28   0.963  -5.019   7.033
  239   3HD2  LEU  28          3HD2      LEU  28   2.558  -4.311   6.718
  240    H    ALA  29           HN       ALA  29  -0.611  -8.039   2.434
  241    HA   ALA  29           HA       ALA  29  -3.111  -8.279   3.563
  242   1HB   ALA  29          1HB       ALA  29  -2.671  -7.797   1.158
  243   2HB   ALA  29          2HB       ALA  29  -2.134  -9.471   0.912
  244   3HB   ALA  29          3HB       ALA  29  -3.819  -9.144   1.310
  245    H    MET  30           HN       MET  30  -0.786 -10.858   2.815
  246    HA   MET  30           HA       MET  30  -2.570 -12.962   3.658
  247   1HB   MET  30          2HB       MET  30   0.304 -13.012   2.712
  248   2HB   MET  30          3HB       MET  30  -0.721 -14.432   3.008
  249   1HG   MET  30          2HG       MET  30  -2.360 -13.583   1.332
  250   2HG   MET  30          3HG       MET  30  -1.304 -12.224   0.974
  251   1HE   MET  30          3HE       MET  30   1.122 -12.483  -0.049
  252   2HE   MET  30          1HE       MET  30   1.633 -13.845   0.980
  253   3HE   MET  30          2HE       MET  30   1.714 -13.975  -0.794
  254    H    LYS  31           HN       LYS  31  -0.119 -10.925   5.130
  255    HA   LYS  31           HA       LYS  31   0.896 -12.794   7.042
  256   1HB   LYS  31          2HB       LYS  31   2.071 -10.722   6.531
  257   2HB   LYS  31          3HB       LYS  31   0.757  -9.746   7.147
  258   1HG   LYS  31          2HG       LYS  31   1.754 -11.762   9.108
  259   2HG   LYS  31          3HG       LYS  31   2.964 -10.577   8.627
  260   1HD   LYS  31          2HD       LYS  31   1.790  -8.749   9.392
  261   2HD   LYS  31          3HD       LYS  31   0.225  -9.516   9.340
  262   1HE   LYS  31          2HE       LYS  31   2.383 -10.203  11.371
  263   2HE   LYS  31          3HE       LYS  31   1.072  -9.050  11.632
  264   1HZ   LYS  31          3HZ       LYS  31  -0.534 -10.824  11.448
  265   2HZ   LYS  31          1HZ       LYS  31   0.681 -11.961  11.231
  266   3HZ   LYS  31          2HZ       LYS  31   0.533 -11.081  12.601
  267    H    TYR  32           HN       TYR  32  -1.441 -10.086   7.415
  268    HA   TYR  32           HA       TYR  32  -2.269 -11.302   9.998
  269   1HB   TYR  32          2HB       TYR  32  -3.403  -9.282  10.424
  270   2HB   TYR  32          3HB       TYR  32  -1.726  -8.960  10.086
  271    HD1  TYR  32           HD2      TYR  32  -5.211  -8.595   8.969
  272    HD2  TYR  32           HD1      TYR  32  -1.091  -7.657   8.089
  273    HE1  TYR  32           HE2      TYR  32  -5.928  -6.570   7.750
  274    HE2  TYR  32           HE1      TYR  32  -1.819  -5.614   6.911
  275    HH   TYR  32           HH       TYR  32  -5.204  -4.496   7.202
  276    H    HIS  33           HN       HIS  33  -3.375 -11.192   6.757
  277    HA   HIS  33           HA       HIS  33  -5.562 -11.038   5.957
  278   1HB   HIS  33          2HB       HIS  33  -4.098 -12.979   5.420
  279   2HB   HIS  33          3HB       HIS  33  -4.983 -13.927   6.590
  280    HD1  HIS  33           HD1      HIS  33  -4.811 -13.850   3.127
  281    HD2  HIS  33           HD2      HIS  33  -8.026 -13.097   5.742
  282    HE1  HIS  33           HE1      HIS  33  -6.946 -13.899   1.735
  283    HA   PRO  34           HA       PRO  34  -8.457 -11.465   9.496
  284   1HB   PRO  34          2HB       PRO  34 -10.520  -9.955   8.568
  285   2HB   PRO  34          3HB       PRO  34  -9.017  -9.232   9.208
  286   1HG   PRO  34          2HG       PRO  34  -9.720  -9.763   6.315
  287   2HG   PRO  34          3HG       PRO  34  -9.094  -8.241   7.017
  288   1HD   PRO  34          2HD       PRO  34  -7.523 -10.096   5.777
  289   2HD   PRO  34          3HD       PRO  34  -6.909  -9.145   7.169
  290    H    ASP  35           HN       ASP  35  -8.304 -13.686   8.750
  291    HA   ASP  35           HA       ASP  35  -9.439 -15.019   6.695
  292   1HB   ASP  35          2HB       ASP  35  -8.077 -15.951   8.579
  293   2HB   ASP  35          3HB       ASP  35  -9.503 -15.924   9.625
  294    H    ARG  36           HN       ARG  36 -11.050 -14.437   9.778
  295    HA   ARG  36           HA       ARG  36 -13.428 -13.483   8.363
  296   1HB   ARG  36          2HB       ARG  36 -14.924 -14.429  10.127
  297   2HB   ARG  36          3HB       ARG  36 -14.155 -15.510   8.968
  298   1HG   ARG  36          2HG       ARG  36 -12.410 -15.994  10.929
  299   2HG   ARG  36          3HG       ARG  36 -13.737 -15.382  11.934
  300   1HD   ARG  36          2HD       ARG  36 -14.024 -17.771  11.745
  301   2HD   ARG  36          3HD       ARG  36 -15.261 -17.030  10.752
  302    HE   ARG  36           HE       ARG  36 -13.999 -17.524   8.733
  303   1HH1  ARG  36          2HH2      ARG  36 -12.600 -19.188  11.598
  304   2HH1  ARG  36          1HH2      ARG  36 -11.789 -20.356  10.605
  305   1HH2  ARG  36          2HH1      ARG  36 -12.746 -18.753   7.561
  306   2HH2  ARG  36          1HH1      ARG  36 -11.699 -19.991   8.229
  307    H    ASN  37           HN       ASN  37 -12.031 -13.923  11.579
  308    HA   ASN  37           HA       ASN  37 -11.178 -12.566  13.102
  309   1HB   ASN  37          2HB       ASN  37  -9.881 -11.644  11.187
  310   2HB   ASN  37          3HB       ASN  37 -11.014 -10.287  11.137
  311   1HD2  ASN  37          2HD2      ASN  37  -8.197  -9.354  13.323
  312   2HD2  ASN  37          1HD2      ASN  37  -8.036 -10.458  11.959
  313    H    GLN  38           HN       GLN  38 -13.059 -12.838  14.177
  314    HA   GLN  38           HA       GLN  38 -15.474 -11.777  13.915
  315   1HB   GLN  38          2HB       GLN  38 -14.675 -13.443  15.591
  316   2HB   GLN  38          3HB       GLN  38 -14.135 -12.116  16.626
  317   1HG   GLN  38          2HG       GLN  38 -17.004 -12.582  15.659
  318   2HG   GLN  38          3HG       GLN  38 -16.363 -13.077  17.230
  319   1HE2  GLN  38          2HE2      GLN  38 -17.710  -9.298  16.814
  320   2HE2  GLN  38          1HE2      GLN  38 -18.045 -10.568  15.652
  321    H    GLY  39           HN       GLY  39 -16.051  -9.755  13.452
  322   1HA   GLY  39          1HA       GLY  39 -16.569  -7.563  13.745
  323   2HA   GLY  39          2HA       GLY  39 -16.198  -7.806  15.456
  324    H    ASP  40           HN       ASP  40 -13.633  -8.230  13.015
  325    HA   ASP  40           HA       ASP  40 -12.141  -6.141  14.110
  326   1HB   ASP  40          2HB       ASP  40 -11.384  -8.245  12.738
  327   2HB   ASP  40          3HB       ASP  40 -11.459  -7.148  11.365
  328    H    LYS  41           HN       LYS  41 -11.167  -4.548  12.335
  329    HA   LYS  41           HA       LYS  41 -13.027  -2.906  10.815
  330   1HB   LYS  41          2HB       LYS  41 -14.018  -2.876  13.086
  331   2HB   LYS  41          3HB       LYS  41 -12.447  -2.406  13.766
  332   1HG   LYS  41          2HG       LYS  41 -12.662  -0.301  12.257
  333   2HG   LYS  41          3HG       LYS  41 -14.372  -0.728  12.160
  334   1HD   LYS  41          2HD       LYS  41 -12.762  -0.361  14.761
  335   2HD   LYS  41          3HD       LYS  41 -13.642   0.933  13.978
  336   1HE   LYS  41          2HE       LYS  41 -14.880   0.000  15.884
  337   2HE   LYS  41          3HE       LYS  41 -15.782  -0.101  14.378
  338   1HZ   LYS  41          3HZ       LYS  41 -14.280  -2.427  15.438
  339   2HZ   LYS  41          1HZ       LYS  41 -15.840  -2.137  15.835
  340   3HZ   LYS  41          2HZ       LYS  41 -15.467  -2.372  14.286
  341    H    GLU  42           HN       GLU  42 -10.320  -3.071  13.216
  342    HA   GLU  42           HA       GLU  42  -8.868  -0.868  12.321
  343   1HB   GLU  42          2HB       GLU  42  -9.122  -1.744  14.610
  344   2HB   GLU  42          3HB       GLU  42  -8.377  -3.296  14.166
  345   1HG   GLU  42          2HG       GLU  42  -6.335  -2.277  13.642
  346   2HG   GLU  42          3HG       GLU  42  -7.056  -0.655  13.696
  347    H    ALA  43           HN       ALA  43  -8.437  -4.499  12.144
  348    HA   ALA  43           HA       ALA  43  -6.201  -4.502  10.641
  349   1HB   ALA  43          1HB       ALA  43  -7.190  -6.526  11.632
  350   2HB   ALA  43          2HB       ALA  43  -8.535  -6.458  10.471
  351   3HB   ALA  43          3HB       ALA  43  -6.888  -6.785   9.912
  352    H    GLU  44           HN       GLU  44  -9.575  -4.202   9.706
  353    HA   GLU  44           HA       GLU  44  -9.250  -4.259   6.886
  354   1HB   GLU  44          2HB       GLU  44 -11.408  -4.402   8.488
  355   2HB   GLU  44          3HB       GLU  44 -11.460  -2.672   8.193
  356   1HG   GLU  44          2HG       GLU  44 -12.759  -3.452   6.422
  357   2HG   GLU  44          3HG       GLU  44 -11.181  -3.473   5.631
  358    H    ALA  45           HN       ALA  45  -9.377  -1.503   9.246
  359    HA   ALA  45           HA       ALA  45  -9.170   0.468   7.289
  360   1HB   ALA  45          1HB       ALA  45  -9.932   0.926   9.601
  361   2HB   ALA  45          2HB       ALA  45  -8.303   0.559  10.217
  362   3HB   ALA  45          3HB       ALA  45  -8.558   1.956   9.149
  363    H    LYS  46           HN       LYS  46  -6.725  -1.322   9.118
  364    HA   LYS  46           HA       LYS  46  -4.427   0.067   8.109
  365   1HB   LYS  46          2HB       LYS  46  -4.406  -1.399  10.062
  366   2HB   LYS  46          3HB       LYS  46  -4.824  -2.803   9.079
  367   1HG   LYS  46          2HG       LYS  46  -2.752  -2.759   7.922
  368   2HG   LYS  46          3HG       LYS  46  -2.299  -1.169   8.591
  369   1HD   LYS  46          2HD       LYS  46  -2.076  -2.072  10.817
  370   2HD   LYS  46          3HD       LYS  46  -2.906  -3.564  10.382
  371   1HE   LYS  46          2HE       LYS  46  -0.481  -3.853  10.692
  372   2HE   LYS  46          3HE       LYS  46  -1.042  -4.395   9.100
  373   1HZ   LYS  46          2HZ       LYS  46   0.185  -1.745   9.582
  374   2HZ   LYS  46          3HZ       LYS  46   1.063  -3.090   9.264
  375   3HZ   LYS  46          1HZ       LYS  46   0.074  -2.479   8.141
  376    H    PHE  47           HN       PHE  47  -6.411  -2.703   7.021
  377    HA   PHE  47           HA       PHE  47  -4.890  -3.283   4.698
  378   1HB   PHE  47          2HB       PHE  47  -6.833  -4.675   5.668
  379   2HB   PHE  47          3HB       PHE  47  -7.902  -3.603   4.771
  380    HD1  PHE  47          2HD       PHE  47  -5.132  -6.062   4.462
  381    HD2  PHE  47          1HD       PHE  47  -8.066  -3.704   2.371
  382    HE1  PHE  47          2HE       PHE  47  -4.813  -7.432   2.426
  383    HE2  PHE  47          1HE       PHE  47  -7.540  -4.895   0.273
  384    HZ   PHE  47           HZ       PHE  47  -5.896  -6.789   0.296
  385    H    LYS  48           HN       LYS  48  -7.284  -0.732   5.353
  386    HA   LYS  48           HA       LYS  48  -7.541   0.073   2.643
  387   1HB   LYS  48          2HB       LYS  48  -7.960   1.749   5.141
  388   2HB   LYS  48          3HB       LYS  48  -8.291   2.274   3.495
  389   1HG   LYS  48          2HG       LYS  48  -9.898   0.557   3.136
  390   2HG   LYS  48          3HG       LYS  48  -9.456  -0.255   4.635
  391   1HD   LYS  48          2HD       LYS  48 -10.310   1.778   5.918
  392   2HD   LYS  48          3HD       LYS  48 -10.630   2.570   4.385
  393   1HE   LYS  48          2HE       LYS  48 -12.696   1.683   5.343
  394   2HE   LYS  48          3HE       LYS  48 -12.331   0.912   3.796
  395   1HZ   LYS  48          1HZ       LYS  48 -11.796  -0.369   6.398
  396   2HZ   LYS  48          2HZ       LYS  48 -13.108  -0.592   5.442
  397   3HZ   LYS  48          3HZ       LYS  48 -11.646  -1.028   4.844
  398    H    GLU  49           HN       GLU  49  -5.264   1.164   5.306
  399    HA   GLU  49           HA       GLU  49  -4.200   3.188   3.606
  400   1HB   GLU  49          2HB       GLU  49  -2.734   3.693   5.324
  401   2HB   GLU  49          3HB       GLU  49  -4.226   3.212   6.110
  402   1HG   GLU  49          2HG       GLU  49  -3.235   1.030   6.609
  403   2HG   GLU  49          3HG       GLU  49  -1.740   1.493   5.824
  404    H    ILE  50           HN       ILE  50  -3.191  -0.163   4.357
  405    HA   ILE  50           HA       ILE  50  -0.821  -0.140   2.779
  406    HB   ILE  50           HB       ILE  50  -2.680  -2.451   3.361
  407   1HG1  ILE  50          2HG1      ILE  50  -0.201  -1.775   4.967
  408   2HG1  ILE  50          3HG1      ILE  50  -1.777  -1.245   5.469
  409   1HG2  ILE  50          1HG2      ILE  50  -0.555  -2.589   1.632
  410   2HG2  ILE  50          2HG2      ILE  50   0.293  -2.887   3.139
  411   3HG2  ILE  50          3HG2      ILE  50  -1.040  -3.937   2.669
  412   1HD1  ILE  50          1HD1      ILE  50  -1.021  -4.157   4.937
  413   2HD1  ILE  50          2HD1      ILE  50  -1.136  -3.387   6.523
  414   3HD1  ILE  50          3HD1      ILE  50  -2.586  -3.566   5.501
  415    H    LYS  51           HN       LYS  51  -4.297  -0.923   1.908
  416    HA   LYS  51           HA       LYS  51  -3.568  -1.740  -0.719
  417   1HB   LYS  51          2HB       LYS  51  -5.751  -2.323   0.316
  418   2HB   LYS  51          3HB       LYS  51  -6.260  -0.631   0.170
  419   1HG   LYS  51          2HG       LYS  51  -5.875  -0.731  -2.312
  420   2HG   LYS  51          3HG       LYS  51  -5.340  -2.414  -2.137
  421   1HD   LYS  51          2HD       LYS  51  -7.631  -2.965  -1.262
  422   2HD   LYS  51          3HD       LYS  51  -8.138  -1.304  -1.600
  423   1HE   LYS  51          2HE       LYS  51  -6.988  -3.202  -3.712
  424   2HE   LYS  51          3HE       LYS  51  -8.711  -3.019  -3.363
  425   1HZ   LYS  51          2HZ       LYS  51  -7.222  -0.606  -4.102
  426   2HZ   LYS  51          3HZ       LYS  51  -7.722  -1.664  -5.254
  427   3HZ   LYS  51          1HZ       LYS  51  -8.799  -0.966  -4.263
  428    H    GLU  52           HN       GLU  52  -4.773   1.368   0.630
  429    HA   GLU  52           HA       GLU  52  -4.999   2.717  -1.825
  430   1HB   GLU  52          2HB       GLU  52  -5.907   3.500   0.407
  431   2HB   GLU  52          3HB       GLU  52  -4.271   4.034   0.834
  432   1HG   GLU  52          2HG       GLU  52  -4.248   5.490  -1.174
  433   2HG   GLU  52          3HG       GLU  52  -5.854   4.919  -1.634
  434    H    ALA  53           HN       ALA  53  -2.249   2.516   0.508
  435    HA   ALA  53           HA       ALA  53  -0.346   3.905  -0.994
  436   1HB   ALA  53          2HB       ALA  53  -0.002   2.943   1.324
  437   2HB   ALA  53          3HB       ALA  53   0.220   1.359   0.571
  438   3HB   ALA  53          1HB       ALA  53   1.316   2.694   0.164
  439    H    TYR  54           HN       TYR  54  -1.029   0.357  -1.216
  440    HA   TYR  54           HA       TYR  54   0.782  -0.161  -3.325
  441   1HB   TYR  54          2HB       TYR  54  -0.162  -1.972  -2.196
  442   2HB   TYR  54          3HB       TYR  54  -1.814  -1.432  -2.412
  443    HD1  TYR  54           HD1      TYR  54   1.092  -2.913  -4.190
  444    HD2  TYR  54           HD2      TYR  54  -3.094  -1.916  -4.381
  445    HE1  TYR  54           HE1      TYR  54   0.961  -3.874  -6.458
  446    HE2  TYR  54           HE2      TYR  54  -3.178  -2.711  -6.718
  447    HH   TYR  54           HH       TYR  54  -1.699  -3.088  -8.582
  448    H    GLU  55           HN       GLU  55  -2.667   0.856  -3.533
  449    HA   GLU  55           HA       GLU  55  -3.089   0.382  -6.237
  450   1HB   GLU  55          2HB       GLU  55  -4.824   0.212  -4.733
  451   2HB   GLU  55          3HB       GLU  55  -4.352   1.677  -3.865
  452   1HG   GLU  55          2HG       GLU  55  -5.061   3.124  -5.423
  453   2HG   GLU  55          3HG       GLU  55  -5.404   1.798  -6.588
  454    H    VAL  56           HN       VAL  56  -2.298   3.236  -4.280
  455    HA   VAL  56           HA       VAL  56  -2.272   5.252  -6.301
  456    HB   VAL  56           HB       VAL  56  -0.973   4.839  -3.579
  457   1HG1  VAL  56          3HG1      VAL  56   0.475   6.454  -4.977
  458   2HG1  VAL  56          1HG1      VAL  56  -0.924   7.529  -4.929
  459   3HG1  VAL  56          2HG1      VAL  56  -0.168   7.010  -3.433
  460   1HG2  VAL  56          2HG2      VAL  56  -3.480   5.210  -3.777
  461   2HG2  VAL  56          3HG2      VAL  56  -2.642   6.531  -2.939
  462   3HG2  VAL  56          1HG2      VAL  56  -3.119   6.697  -4.636
  463    H    LEU  57           HN       LEU  57   0.376   3.336  -4.708
  464    HA   LEU  57           HA       LEU  57   2.370   4.467  -6.347
  465   1HB   LEU  57          2HB       LEU  57   2.355   1.871  -4.762
  466   2HB   LEU  57          3HB       LEU  57   3.810   2.590  -5.478
  467    HG   LEU  57           HG       LEU  57   2.057   3.917  -3.338
  468   1HD1  LEU  57          2HD1      LEU  57   3.502   2.029  -2.584
  469   2HD1  LEU  57          3HD1      LEU  57   4.915   2.934  -3.185
  470   3HD1  LEU  57          1HD1      LEU  57   3.894   3.595  -1.877
  471   1HD2  LEU  57          3HD2      LEU  57   4.294   4.981  -4.995
  472   2HD2  LEU  57          1HD2      LEU  57   2.703   5.688  -4.606
  473   3HD2  LEU  57          2HD2      LEU  57   3.934   5.611  -3.370
  474    H    THR  58           HN       THR  58   0.419   1.629  -6.987
  475    HA   THR  58           HA       THR  58   1.965   1.110  -9.464
  476    HB   THR  58           HB       THR  58   0.448  -0.786  -9.720
  477    HG1  THR  58          1HG       THR  58  -0.551  -0.047  -7.160
  478   1HG2  THR  58          2HG2      THR  58   2.574  -0.840  -8.326
  479   2HG2  THR  58          3HG2      THR  58   1.572  -0.697  -6.882
  480   3HG2  THR  58          1HG2      THR  58   1.392  -2.097  -7.966
  481    H    ASP  59           HN       ASP  59  -0.064   3.537  -8.765
  482    HA   ASP  59           HA       ASP  59  -1.694   3.439 -11.236
  483   1HB   ASP  59          2HB       ASP  59  -2.429   4.565  -8.967
  484   2HB   ASP  59          3HB       ASP  59  -1.348   5.856  -9.458
  485    H    SER  60           HN       SER  60  -1.412   5.960 -12.178
  486    HA   SER  60           HA       SER  60   1.486   6.464 -12.692
  487   1HB   SER  60          2HB       SER  60  -0.840   6.854 -14.622
  488   2HB   SER  60          3HB       SER  60   0.857   7.270 -14.913
  489    HG   SER  60           HG       SER  60   0.126   5.235 -15.772
  490    H    GLN  61           HN       GLN  61  -1.897   7.886 -12.662
  491    HA   GLN  61           HA       GLN  61  -0.839  10.561 -12.465
  492   1HB   GLN  61          2HB       GLN  61  -2.745  10.032 -13.852
  493   2HB   GLN  61          3HB       GLN  61  -3.603   9.248 -12.528
  494   1HG   GLN  61          2HG       GLN  61  -2.588  12.029 -12.087
  495   2HG   GLN  61          3HG       GLN  61  -3.890  11.813 -13.284
  496   1HE2  GLN  61          2HE2      GLN  61  -5.501  12.591  -9.973
  497   2HE2  GLN  61          1HE2      GLN  61  -4.251  13.392 -10.920
  498    H    LYS  62           HN       LYS  62  -2.709   8.208 -10.524
  499    HA   LYS  62           HA       LYS  62  -2.517   9.878  -8.088
  500   1HB   LYS  62          2HB       LYS  62  -4.111   7.600  -9.021
  501   2HB   LYS  62          3HB       LYS  62  -3.419   7.192  -7.479
  502   1HG   LYS  62          2HG       LYS  62  -4.779   9.883  -7.776
  503   2HG   LYS  62          3HG       LYS  62  -5.722   8.392  -7.690
  504   1HD   LYS  62          2HD       LYS  62  -5.496   9.288  -5.446
  505   2HD   LYS  62          3HD       LYS  62  -4.715   7.720  -5.620
  506   1HE   LYS  62          2HE       LYS  62  -2.503   8.809  -5.747
  507   2HE   LYS  62          3HE       LYS  62  -3.236  10.417  -5.676
  508   1HZ   LYS  62          3HZ       LYS  62  -3.723   8.514  -3.500
  509   2HZ   LYS  62          1HZ       LYS  62  -2.281   9.360  -3.579
  510   3HZ   LYS  62          2HZ       LYS  62  -3.724  10.139  -3.482
  511    H    ARG  63           HN       ARG  63  -0.141   9.670  -9.077
  512    HA   ARG  63           HA       ARG  63   1.323   8.359  -6.965
  513   1HB   ARG  63          2HB       ARG  63   1.396   6.438  -8.357
  514   2HB   ARG  63          3HB       ARG  63   1.624   7.356  -9.835
  515   1HG   ARG  63          2HG       ARG  63   3.676   6.231  -9.047
  516   2HG   ARG  63          3HG       ARG  63   3.903   7.969  -9.171
  517   1HD   ARG  63          2HD       ARG  63   3.520   8.205  -6.686
  518   2HD   ARG  63          3HD       ARG  63   3.267   6.491  -6.566
  519    HE   ARG  63           HE       ARG  63   5.725   7.985  -6.667
  520   1HH1  ARG  63          2HH2      ARG  63   4.379   4.850  -7.550
  521   2HH1  ARG  63          1HH2      ARG  63   5.951   4.117  -7.766
  522   1HH2  ARG  63          2HH1      ARG  63   7.645   7.036  -6.644
  523   2HH2  ARG  63          1HH1      ARG  63   7.927   5.339  -6.943
  524    H    ALA  64           HN       ALA  64   1.897   9.458 -10.346
  525    HA   ALA  64           HA       ALA  64   4.277  10.677  -9.769
  526   1HB   ALA  64          2HB       ALA  64   2.335  11.336 -12.016
  527   2HB   ALA  64          3HB       ALA  64   4.056  11.787 -11.991
  528   3HB   ALA  64          1HB       ALA  64   3.590  10.077 -12.023
  529    H    ALA  65           HN       ALA  65   1.080  12.096  -9.573
  530    HA   ALA  65           HA       ALA  65   1.744  14.767  -9.177
  531   1HB   ALA  65          2HB       ALA  65  -0.447  13.067  -7.873
  532   2HB   ALA  65          3HB       ALA  65  -0.407  14.843  -7.870
  533   3HB   ALA  65          1HB       ALA  65  -0.579  13.956  -9.399
  534    H    TYR  66           HN       TYR  66   1.301  12.253  -6.613
  535    HA   TYR  66           HA       TYR  66   2.357  14.132  -4.646
  536   1HB   TYR  66          2HB       TYR  66   1.202  11.362  -4.547
  537   2HB   TYR  66          3HB       TYR  66   2.237  11.903  -3.238
  538    HD1  TYR  66           HD2      TYR  66  -0.096  14.269  -4.983
  539    HD2  TYR  66           HD1      TYR  66   0.627  11.824  -1.496
  540    HE1  TYR  66           HE2      TYR  66  -1.833  15.495  -3.763
  541    HE2  TYR  66           HE1      TYR  66  -1.190  13.016  -0.304
  542    HH   TYR  66           HH       TYR  66  -3.056  15.675  -1.816
  543    H    ASP  67           HN       ASP  67   3.650  11.613  -6.694
  544    HA   ASP  67           HA       ASP  67   6.056  11.094  -5.295
  545   1HB   ASP  67          2HB       ASP  67   4.988   9.891  -7.340
  546   2HB   ASP  67          3HB       ASP  67   5.704  11.202  -8.294
  547    H    GLN  68           HN       GLN  68   5.024  13.724  -7.504
  548    HA   GLN  68           HA       GLN  68   7.567  14.866  -7.978
  549   1HB   GLN  68          2HB       GLN  68   5.369  15.373  -9.199
  550   2HB   GLN  68          3HB       GLN  68   4.838  16.229  -7.760
  551   1HG   GLN  68          2HG       GLN  68   7.079  17.548  -8.004
  552   2HG   GLN  68          3HG       GLN  68   7.077  16.921  -9.654
  553   1HE2  GLN  68          2HE2      GLN  68   5.278  20.294  -9.362
  554   2HE2  GLN  68          1HE2      GLN  68   6.932  19.709  -9.175
  555    H    TYR  69           HN       TYR  69   4.955  15.838  -5.714
  556    HA   TYR  69           HA       TYR  69   6.843  16.705  -3.650
  557   1HB   TYR  69          2HB       TYR  69   6.699  18.403  -5.791
  558   2HB   TYR  69          3HB       TYR  69   5.318  18.975  -4.908
  559    HD1  TYR  69           HD2      TYR  69   8.881  17.909  -4.161
  560    HD2  TYR  69           HD1      TYR  69   5.871  20.955  -3.724
  561    HE1  TYR  69           HE2      TYR  69  10.507  19.353  -3.003
  562    HE2  TYR  69           HE1      TYR  69   7.484  22.391  -2.568
  563    HH   TYR  69           HH       TYR  69   9.690  22.676  -2.016
  564    H    GLY  70           HN       GLY  70   4.585  14.981  -3.684
  565   1HA   GLY  70          1HA       GLY  70   2.619  14.592  -2.503
  566   2HA   GLY  70          2HA       GLY  70   3.243  15.850  -1.432
  567    H    HIS  71           HN       HIS  71   1.227  16.754  -1.043
  568    HA   HIS  71           HA       HIS  71  -0.700  17.583  -2.871
  569   1HB   HIS  71          2HB       HIS  71  -1.468  19.091  -1.187
  570   2HB   HIS  71          3HB       HIS  71  -0.885  17.634  -0.385
  571    HD1  HIS  71           HD1      HIS  71  -0.846  21.152   0.220
  572    HD2  HIS  71           HD2      HIS  71   2.167  18.212   0.088
  573    HE1  HIS  71           HE1      HIS  71   1.137  22.080   1.471
  574    H    ALA  72           HN       ALA  72   2.434  19.144  -2.230
  575    HA   ALA  72           HA       ALA  72   1.637  21.658  -3.574
  576   1HB   ALA  72          2HB       ALA  72   4.204  20.802  -2.200
  577   2HB   ALA  72          3HB       ALA  72   3.863  22.420  -2.851
  578   3HB   ALA  72          1HB       ALA  72   2.900  21.782  -1.506
  579    H    ALA  73           HN       ALA  73   1.853  19.017  -5.045
  580    HA   ALA  73           HA       ALA  73   4.018  19.007  -6.856
  581   1HB   ALA  73          1HB       ALA  73   1.078  18.230  -7.006
  582   2HB   ALA  73          2HB       ALA  73   2.215  17.869  -8.309
  583   3HB   ALA  73          3HB       ALA  73   2.482  17.203  -6.683
  584    H    PHE  74           HN       PHE  74   0.838  20.614  -7.042
  585    HA   PHE  74           HA       PHE  74   1.682  22.209  -9.415
  586   1HB   PHE  74          2HB       PHE  74  -0.870  22.722  -9.322
  587   2HB   PHE  74          3HB       PHE  74  -0.273  21.220  -9.971
  588    HD1  PHE  74          2HD       PHE  74  -0.563  19.067  -8.800
  589    HD2  PHE  74          1HD       PHE  74  -2.213  22.734  -7.231
  590    HE1  PHE  74          2HE       PHE  74  -1.777  17.783  -7.058
  591    HE2  PHE  74          1HE       PHE  74  -3.518  21.438  -5.582
  592    HZ   PHE  74           HZ       PHE  74  -3.233  18.970  -5.424
  593    H    GLU  75           HN       GLU  75   3.164  23.459  -8.066
  594    HA   GLU  75           HA       GLU  75   1.748  25.560  -6.483
  595   1HB   GLU  75          2HB       GLU  75   3.931  23.823  -5.690
  596   2HB   GLU  75          3HB       GLU  75   4.575  25.439  -5.873
  597   1HG   GLU  75          2HG       GLU  75   2.255  25.956  -4.458
  598   2HG   GLU  75          3HG       GLU  75   2.688  24.361  -3.844
  599    H    GLN  76           HN       GLN  76   2.984  25.293  -9.544
  600    HA   GLN  76           HA       GLN  76   4.386  27.818  -9.542
  601   1HB   GLN  76          2HB       GLN  76   3.725  25.622 -11.510
  602   2HB   GLN  76          3HB       GLN  76   4.077  27.242 -12.082
  603   1HG   GLN  76          2HG       GLN  76   6.099  26.007 -12.156
  604   2HG   GLN  76          3HG       GLN  76   6.243  27.262 -10.932
  605   1HE2  GLN  76          2HE2      GLN  76   6.008  23.317  -9.673
  606   2HE2  GLN  76          1HE2      GLN  76   5.111  23.800 -11.120
   
  No H/Q in entry =         606
  Start of MODEL    3
    1   1H    ALA   2          1HN       ALA   2   7.559   9.694   8.942
    2   2H    ALA   2          2HN       ALA   2   8.801   8.717   9.469
    3   3H    ALA   2          3HN       ALA   2   8.159   8.494   7.971
    4    HA   ALA   2           HA       ALA   2   7.396   6.798   9.360
    5   1HB   ALA   2          2HB       ALA   2   7.559   7.980  11.519
    6   2HB   ALA   2          3HB       ALA   2   6.223   9.041  11.037
    7   3HB   ALA   2          1HB       ALA   2   5.920   7.317  11.282
    8    H    LYS   3           HN       LYS   3   6.486   6.495   7.357
    9    HA   LYS   3           HA       LYS   3   4.946   6.338   5.756
   10   1HB   LYS   3          2HB       LYS   3   2.918   7.743   7.519
   11   2HB   LYS   3          3HB       LYS   3   2.661   7.133   5.897
   12   1HG   LYS   3          2HG       LYS   3   1.842   5.375   7.053
   13   2HG   LYS   3          3HG       LYS   3   3.512   4.824   6.845
   14   1HD   LYS   3          2HD       LYS   3   3.962   5.820   9.182
   15   2HD   LYS   3          3HD       LYS   3   2.226   6.083   9.318
   16   1HE   LYS   3          2HE       LYS   3   3.664   3.407   8.912
   17   2HE   LYS   3          3HE       LYS   3   2.961   3.968  10.405
   18   1HZ   LYS   3          3HZ       LYS   3   0.770   3.987   9.042
   19   2HZ   LYS   3          1HZ       LYS   3   1.600   2.993   8.005
   20   3HZ   LYS   3          2HZ       LYS   3   1.402   2.576   9.548
   21    H    GLN   4           HN       GLN   4   4.847   7.381   3.958
   22    HA   GLN   4           HA       GLN   4   4.923  10.229   3.571
   23   1HB   GLN   4          2HB       GLN   4   7.304   9.507   4.355
   24   2HB   GLN   4          3HB       GLN   4   7.346   8.472   2.942
   25   1HG   GLN   4          2HG       GLN   4   6.794  10.688   1.610
   26   2HG   GLN   4          3HG       GLN   4   7.351  11.499   3.082
   27   1HE2  GLN   4          2HE2      GLN   4  10.185  10.942   0.596
   28   2HE2  GLN   4          1HE2      GLN   4   8.621  11.688   0.445
   29    H    ASP   5           HN       ASP   5   4.401  10.466   1.355
   30    HA   ASP   5           HA       ASP   5   3.266   9.591  -0.589
   31   1HB   ASP   5          2HB       ASP   5   5.107  10.980  -1.095
   32   2HB   ASP   5          3HB       ASP   5   6.277   9.697  -0.796
   33    H    TYR   6           HN       TYR   6   2.487   7.644   0.515
   34    HA   TYR   6           HA       TYR   6   2.111   5.360   0.677
   35   1HB   TYR   6          2HB       TYR   6   2.637   5.609  -2.293
   36   2HB   TYR   6          3HB       TYR   6   1.427   4.603  -1.509
   37    HD1  TYR   6           HD2      TYR   6  -0.322   6.019   0.000
   38    HD2  TYR   6           HD1      TYR   6   1.975   7.643  -3.268
   39    HE1  TYR   6           HE2      TYR   6  -1.954   7.867  -0.232
   40    HE2  TYR   6           HE1      TYR   6   0.304   9.436  -3.551
   41    HH   TYR   6           HH       TYR   6  -1.930   9.964  -3.068
   42    H    TYR   7           HN       TYR   7   5.051   5.768   1.094
   43    HA   TYR   7           HA       TYR   7   6.157   3.366  -0.294
   44   1HB   TYR   7          2HB       TYR   7   7.517   5.314   1.636
   45   2HB   TYR   7          3HB       TYR   7   8.291   4.064   0.673
   46    HD1  TYR   7           HD1      TYR   7   7.637   4.291  -1.994
   47    HD2  TYR   7           HD2      TYR   7   7.955   7.457   0.916
   48    HE1  TYR   7           HE1      TYR   7   8.225   5.912  -3.785
   49    HE2  TYR   7           HE2      TYR   7   8.482   9.060  -0.896
   50    HH   TYR   7           HH       TYR   7   7.877   9.125  -3.561
   51    H    GLU   8           HN       GLU   8   6.112   4.683   3.060
   52    HA   GLU   8           HA       GLU   8   7.026   2.268   4.246
   53   1HB   GLU   8          2HB       GLU   8   6.964   4.898   4.933
   54   2HB   GLU   8          3HB       GLU   8   5.547   4.326   5.829
   55   1HG   GLU   8          2HG       GLU   8   8.288   3.023   6.044
   56   2HG   GLU   8          3HG       GLU   8   7.761   4.418   6.994
   57    H    ILE   9           HN       ILE   9   3.949   3.676   3.491
   58    HA   ILE   9           HA       ILE   9   2.154   2.485   5.157
   59    HB   ILE   9           HB       ILE   9   1.848   3.116   2.201
   60   1HG1  ILE   9          2HG1      ILE   9   1.581   4.630   4.832
   61   2HG1  ILE   9          3HG1      ILE   9   2.500   5.079   3.392
   62   1HG2  ILE   9          1HG2      ILE   9  -0.265   2.654   4.339
   63   2HG2  ILE   9          2HG2      ILE   9  -0.576   3.185   2.672
   64   3HG2  ILE   9          3HG2      ILE   9   0.067   1.579   2.958
   65   1HD1  ILE   9          2HD1      ILE   9   0.253   5.391   2.227
   66   2HD1  ILE   9          3HD1      ILE   9  -0.495   5.160   3.831
   67   3HD1  ILE   9          1HD1      ILE   9   0.607   6.518   3.561
   68    H    LEU  10           HN       LEU  10   3.584   1.040   2.190
   69    HA   LEU  10           HA       LEU  10   2.701  -1.568   3.022
   70   1HB   LEU  10          2HB       LEU  10   4.496  -1.608   0.800
   71   2HB   LEU  10          3HB       LEU  10   2.895  -2.291   1.043
   72    HG   LEU  10           HG       LEU  10   2.923  -1.036  -0.907
   73   1HD1  LEU  10          2HD1      LEU  10   0.915  -0.922   0.544
   74   2HD1  LEU  10          3HD1      LEU  10   1.393   0.738   0.955
   75   3HD1  LEU  10          1HD1      LEU  10   1.084   0.286  -0.733
   76   1HD2  LEU  10          2HD2      LEU  10   4.882   0.453  -0.383
   77   2HD2  LEU  10          3HD2      LEU  10   3.535   1.162  -1.288
   78   3HD2  LEU  10          1HD2      LEU  10   3.727   1.544   0.420
   79    H    GLY  11           HN       GLY  11   5.842   0.177   2.526
   80   1HA   GLY  11          1HA       GLY  11   7.526   0.071   4.246
   81   2HA   GLY  11          2HA       GLY  11   6.941  -1.506   4.765
   82    H    VAL  12           HN       VAL  12   8.281   0.242   2.006
   83    HA   VAL  12           HA       VAL  12   9.900  -2.100   1.224
   84    HB   VAL  12           HB       VAL  12   7.717  -1.662  -0.138
   85   1HG1  VAL  12          1HG1      VAL  12   9.407   0.594  -1.243
   86   2HG1  VAL  12          2HG1      VAL  12   8.187  -0.245  -2.162
   87   3HG1  VAL  12          3HG1      VAL  12   7.717   0.599  -0.673
   88   1HG2  VAL  12          3HG2      VAL  12  10.335  -2.201  -1.496
   89   2HG2  VAL  12          1HG2      VAL  12   9.215  -3.342  -0.721
   90   3HG2  VAL  12          2HG2      VAL  12   8.717  -2.476  -2.173
   91    H    SER  13           HN       SER  13  11.575  -1.280  -0.362
   92    HA   SER  13           HA       SER  13  13.173   0.445   1.287
   93   1HB   SER  13          2HB       SER  13  13.479  -1.654  -0.775
   94   2HB   SER  13          3HB       SER  13  14.509  -0.309  -1.117
   95    HG   SER  13           HG       SER  13  15.585  -1.650   0.219
   96    H    LYS  14           HN       LYS  14  12.270   2.613   1.085
   97    HA   LYS  14           HA       LYS  14  11.746   4.556   0.243
   98   1HB   LYS  14          2HB       LYS  14  14.180   4.024  -1.510
   99   2HB   LYS  14          3HB       LYS  14  13.265   5.537  -1.503
  100   1HG   LYS  14          2HG       LYS  14  13.706   5.955   0.800
  101   2HG   LYS  14          3HG       LYS  14  14.559   4.404   0.979
  102   1HD   LYS  14          2HD       LYS  14  16.326   5.068  -0.471
  103   2HD   LYS  14          3HD       LYS  14  15.397   6.410  -1.157
  104   1HE   LYS  14          2HE       LYS  14  15.531   7.700   0.877
  105   2HE   LYS  14          3HE       LYS  14  16.283   6.361   1.756
  106   1HZ   LYS  14          2HZ       LYS  14  17.507   7.722  -0.571
  107   2HZ   LYS  14          3HZ       LYS  14  17.914   7.989   1.000
  108   3HZ   LYS  14          1HZ       LYS  14  18.177   6.526   0.348
  109    H    THR  15           HN       THR  15  12.761   3.766  -3.026
  110    HA   THR  15           HA       THR  15   9.873   3.955  -3.784
  111    HB   THR  15           HB       THR  15  10.459   5.535  -5.436
  112    HG1  THR  15          1HG       THR  15  13.088   4.740  -4.830
  113   1HG2  THR  15          1HG2      THR  15  10.624   6.185  -2.812
  114   2HG2  THR  15          2HG2      THR  15  12.311   6.450  -3.205
  115   3HG2  THR  15          3HG2      THR  15  11.067   7.358  -4.068
  116    H    ALA  16           HN       ALA  16  11.069   1.595  -3.213
  117    HA   ALA  16           HA       ALA  16  12.244   0.192  -5.368
  118   1HB   ALA  16          1HB       ALA  16  11.945  -0.684  -3.023
  119   2HB   ALA  16          2HB       ALA  16  10.203  -0.844  -3.374
  120   3HB   ALA  16          3HB       ALA  16  11.390  -1.808  -4.277
  121    H    GLU  17           HN       GLU  17  11.395  -0.729  -7.204
  122    HA   GLU  17           HA       GLU  17   9.142   0.562  -8.277
  123   1HB   GLU  17          2HB       GLU  17  11.258  -0.920  -9.260
  124   2HB   GLU  17          3HB       GLU  17   9.929  -2.023  -9.556
  125   1HG   GLU  17          2HG       GLU  17   8.748  -0.325 -10.861
  126   2HG   GLU  17          3HG       GLU  17   9.927   0.920 -10.403
  127    H    GLU  18           HN       GLU  18   7.282  -0.486  -9.220
  128    HA   GLU  18           HA       GLU  18   5.471  -1.395  -7.488
  129   1HB   GLU  18          2HB       GLU  18   4.979  -0.550  -9.648
  130   2HB   GLU  18          3HB       GLU  18   5.625  -1.995 -10.452
  131   1HG   GLU  18          2HG       GLU  18   3.393  -2.301  -8.430
  132   2HG   GLU  18          3HG       GLU  18   3.062  -1.563  -9.991
  133    H    ARG  19           HN       ARG  19   7.594  -3.469  -9.480
  134    HA   ARG  19           HA       ARG  19   6.555  -5.947  -8.998
  135   1HB   ARG  19          2HB       ARG  19   8.976  -4.920 -10.059
  136   2HB   ARG  19          3HB       ARG  19   9.502  -6.016  -8.792
  137   1HG   ARG  19          2HG       ARG  19   7.689  -6.642 -11.151
  138   2HG   ARG  19          3HG       ARG  19   9.372  -7.132 -10.930
  139   1HD   ARG  19          2HD       ARG  19   8.520  -8.376  -8.791
  140   2HD   ARG  19          3HD       ARG  19   6.905  -8.117  -9.463
  141    HE   ARG  19           HE       ARG  19   7.226  -9.771 -10.994
  142   1HH1  ARG  19          2HH2      ARG  19  10.389  -9.001  -9.498
  143   2HH1  ARG  19          1HH2      ARG  19  11.256 -10.098 -10.550
  144   1HH2  ARG  19          2HH1      ARG  19   8.459 -11.312 -12.283
  145   2HH2  ARG  19          1HH1      ARG  19  10.182 -11.423 -11.990
  146    H    GLU  20           HN       GLU  20   8.559  -4.030  -6.783
  147    HA   GLU  20           HA       GLU  20   8.655  -6.242  -4.808
  148   1HB   GLU  20          2HB       GLU  20  10.754  -5.188  -5.500
  149   2HB   GLU  20          3HB       GLU  20  10.190  -3.631  -4.887
  150   1HG   GLU  20          2HG       GLU  20  10.076  -4.484  -2.617
  151   2HG   GLU  20          3HG       GLU  20  10.317  -6.146  -3.171
  152    H    ILE  21           HN       ILE  21   7.315  -3.012  -5.411
  153    HA   ILE  21           HA       ILE  21   6.182  -2.532  -2.814
  154    HB   ILE  21           HB       ILE  21   4.976  -2.186  -5.593
  155   1HG1  ILE  21          2HG1      ILE  21   7.034  -0.804  -4.958
  156   2HG1  ILE  21          3HG1      ILE  21   5.625   0.102  -5.530
  157   1HG2  ILE  21          3HG2      ILE  21   3.832  -1.213  -2.979
  158   2HG2  ILE  21          1HG2      ILE  21   3.344  -0.616  -4.584
  159   3HG2  ILE  21          2HG2      ILE  21   3.096  -2.309  -4.155
  160   1HD1  ILE  21          2HD1      ILE  21   6.134  -0.389  -2.577
  161   2HD1  ILE  21          3HD1      ILE  21   6.761   1.031  -3.469
  162   3HD1  ILE  21          1HD1      ILE  21   5.023   0.743  -3.300
  163    H    ARG  22           HN       ARG  22   5.243  -4.628  -5.505
  164    HA   ARG  22           HA       ARG  22   2.873  -5.592  -4.344
  165   1HB   ARG  22          2HB       ARG  22   4.475  -6.044  -6.717
  166   2HB   ARG  22          3HB       ARG  22   4.154  -7.612  -6.032
  167   1HG   ARG  22          2HG       ARG  22   1.776  -7.388  -6.251
  168   2HG   ARG  22          3HG       ARG  22   1.896  -5.635  -6.238
  169   1HD   ARG  22          2HD       ARG  22   1.448  -6.087  -8.501
  170   2HD   ARG  22          3HD       ARG  22   3.130  -5.633  -8.360
  171    HE   ARG  22           HE       ARG  22   2.534  -8.548  -8.261
  172   1HH1  ARG  22          2HH2      ARG  22   3.110  -5.779 -10.383
  173   2HH1  ARG  22          1HH2      ARG  22   3.967  -6.659 -11.584
  174   1HH2  ARG  22          2HH1      ARG  22   3.607  -9.795  -9.878
  175   2HH2  ARG  22          1HH1      ARG  22   3.811  -9.077 -11.465
  176    H    LYS  23           HN       LYS  23   6.284  -6.619  -3.888
  177    HA   LYS  23           HA       LYS  23   5.734  -8.870  -2.340
  178   1HB   LYS  23          2HB       LYS  23   8.145  -7.230  -2.814
  179   2HB   LYS  23          3HB       LYS  23   8.024  -7.845  -1.178
  180   1HG   LYS  23          2HG       LYS  23   9.254  -9.389  -2.450
  181   2HG   LYS  23          3HG       LYS  23   7.704 -10.142  -2.033
  182   1HD   LYS  23          2HD       LYS  23   6.845  -9.644  -4.330
  183   2HD   LYS  23          3HD       LYS  23   8.300  -8.707  -4.664
  184   1HE   LYS  23          2HE       LYS  23   8.692 -10.772  -5.711
  185   2HE   LYS  23          3HE       LYS  23   9.674 -10.830  -4.253
  186   1HZ   LYS  23          3HZ       LYS  23   7.730 -12.157  -3.272
  187   2HZ   LYS  23          1HZ       LYS  23   7.133 -12.242  -4.798
  188   3HZ   LYS  23          2HZ       LYS  23   8.603 -12.862  -4.455
  189    H    ALA  24           HN       ALA  24   6.411  -5.415  -1.378
  190    HA   ALA  24           HA       ALA  24   6.107  -5.771   1.388
  191   1HB   ALA  24          3HB       ALA  24   7.014  -3.772   0.398
  192   2HB   ALA  24          1HB       ALA  24   5.420  -3.343  -0.262
  193   3HB   ALA  24          2HB       ALA  24   5.680  -3.403   1.505
  194    H    TYR  25           HN       TYR  25   3.670  -4.730  -0.955
  195    HA   TYR  25           HA       TYR  25   1.396  -4.733   0.664
  196   1HB   TYR  25          2HB       TYR  25   1.274  -3.856  -1.562
  197   2HB   TYR  25          3HB       TYR  25   1.952  -5.319  -2.257
  198    HD1  TYR  25           HD2      TYR  25  -1.109  -4.318  -0.294
  199    HD2  TYR  25           HD1      TYR  25   0.551  -6.611  -3.541
  200    HE1  TYR  25           HE2      TYR  25  -3.359  -5.162  -0.844
  201    HE2  TYR  25           HE1      TYR  25  -1.733  -7.364  -4.158
  202    HH   TYR  25           HH       TYR  25  -4.594  -6.490  -2.237
  203    H    LYS  26           HN       LYS  26   2.740  -7.605  -1.173
  204    HA   LYS  26           HA       LYS  26   0.720  -9.301  -0.292
  205   1HB   LYS  26          2HB       LYS  26   2.182  -9.841  -2.149
  206   2HB   LYS  26          3HB       LYS  26   3.558 -10.048  -1.049
  207   1HG   LYS  26          2HG       LYS  26   2.349 -11.887   0.096
  208   2HG   LYS  26          3HG       LYS  26   0.968 -11.693  -0.971
  209   1HD   LYS  26          2HD       LYS  26   3.814 -12.341  -1.910
  210   2HD   LYS  26          3HD       LYS  26   2.645 -13.584  -1.474
  211   1HE   LYS  26          2HE       LYS  26   2.361 -11.595  -3.766
  212   2HE   LYS  26          3HE       LYS  26   2.737 -13.302  -3.893
  213   1HZ   LYS  26          2HZ       LYS  26   0.547 -13.712  -2.825
  214   2HZ   LYS  26          3HZ       LYS  26   0.148 -12.162  -3.039
  215   3HZ   LYS  26          1HZ       LYS  26   0.512 -13.081  -4.359
  216    H    ARG  27           HN       ARG  27   3.978  -8.729   1.169
  217    HA   ARG  27           HA       ARG  27   3.645 -10.710   3.181
  218   1HB   ARG  27          2HB       ARG  27   5.524  -9.745   4.365
  219   2HB   ARG  27          3HB       ARG  27   5.822 -10.058   2.651
  220   1HG   ARG  27          2HG       ARG  27   5.509  -7.656   2.193
  221   2HG   ARG  27          3HG       ARG  27   5.378  -7.320   3.926
  222   1HD   ARG  27          2HD       ARG  27   7.659  -8.174   4.277
  223   2HD   ARG  27          3HD       ARG  27   7.755  -8.732   2.615
  224    HE   ARG  27           HE       ARG  27   7.748  -5.879   3.575
  225   1HH1  ARG  27          2HH2      ARG  27   8.976  -8.248   1.180
  226   2HH1  ARG  27          1HH2      ARG  27  10.234  -7.140   0.742
  227   1HH2  ARG  27          2HH1      ARG  27   8.980  -4.344   2.428
  228   2HH2  ARG  27          1HH1      ARG  27  10.028  -4.872   1.130
  229    H    LEU  28           HN       LEU  28   2.722  -7.237   3.152
  230    HA   LEU  28           HA       LEU  28   1.733  -7.371   5.894
  231   1HB   LEU  28          2HB       LEU  28   1.461  -5.504   3.557
  232   2HB   LEU  28          3HB       LEU  28   0.278  -5.421   4.860
  233    HG   LEU  28           HG       LEU  28   3.259  -5.274   5.434
  234   1HD1  LEU  28          1HD1      LEU  28   1.223  -3.071   4.925
  235   2HD1  LEU  28          2HD1      LEU  28   2.867  -2.809   5.496
  236   3HD1  LEU  28          3HD1      LEU  28   2.586  -3.526   3.883
  237   1HD2  LEU  28          2HD2      LEU  28   0.757  -4.403   6.978
  238   2HD2  LEU  28          3HD2      LEU  28   1.805  -5.770   7.419
  239   3HD2  LEU  28          1HD2      LEU  28   2.424  -4.113   7.490
  240    H    ALA  29           HN       ALA  29   0.262  -7.857   2.653
  241    HA   ALA  29           HA       ALA  29  -2.396  -7.897   3.475
  242   1HB   ALA  29          3HB       ALA  29  -1.766  -7.867   1.103
  243   2HB   ALA  29          1HB       ALA  29  -1.139  -9.529   1.227
  244   3HB   ALA  29          2HB       ALA  29  -2.867  -9.213   1.439
  245    H    MET  30           HN       MET  30  -0.068 -10.658   3.346
  246    HA   MET  30           HA       MET  30  -1.950 -12.537   4.371
  247   1HB   MET  30          2HB       MET  30  -0.063 -13.947   4.986
  248   2HB   MET  30          3HB       MET  30   0.026 -13.322   3.335
  249   1HG   MET  30          2HG       MET  30   1.704 -11.705   3.968
  250   2HG   MET  30          3HG       MET  30   1.599 -12.172   5.667
  251   1HE   MET  30          2HE       MET  30   2.758 -13.134   2.089
  252   2HE   MET  30          3HE       MET  30   3.487 -14.738   2.331
  253   3HE   MET  30          1HE       MET  30   1.725 -14.546   2.437
  254    H    LYS  31           HN       LYS  31   0.140 -10.206   6.098
  255    HA   LYS  31           HA       LYS  31  -0.315 -11.209   8.733
  256   1HB   LYS  31          2HB       LYS  31   1.418  -9.460   7.969
  257   2HB   LYS  31          3HB       LYS  31   0.104  -8.310   7.913
  258   1HG   LYS  31          2HG       LYS  31   0.543  -7.801  10.009
  259   2HG   LYS  31          3HG       LYS  31  -0.281  -9.287  10.444
  260   1HD   LYS  31          2HD       LYS  31   2.710  -8.898  10.013
  261   2HD   LYS  31          3HD       LYS  31   1.883  -9.049  11.571
  262   1HE   LYS  31          2HE       LYS  31   1.161 -11.372  10.968
  263   2HE   LYS  31          3HE       LYS  31   2.039 -11.236   9.428
  264   1HZ   LYS  31          1HZ       LYS  31   4.064 -10.920  10.689
  265   2HZ   LYS  31          2HZ       LYS  31   3.245 -11.152  12.113
  266   3HZ   LYS  31          3HZ       LYS  31   3.323 -12.376  11.036
  267    H    TYR  32           HN       TYR  32  -1.975  -8.846   6.715
  268    HA   TYR  32           HA       TYR  32  -4.089  -8.347   8.775
  269   1HB   TYR  32          2HB       TYR  32  -2.867  -6.771   6.478
  270   2HB   TYR  32          3HB       TYR  32  -4.427  -6.327   7.143
  271    HD1  TYR  32           HD2      TYR  32  -4.759  -5.764   9.533
  272    HD2  TYR  32           HD1      TYR  32  -0.869  -6.113   7.723
  273    HE1  TYR  32           HE2      TYR  32  -3.784  -4.484  11.401
  274    HE2  TYR  32           HE1      TYR  32   0.122  -4.836   9.606
  275    HH   TYR  32           HH       TYR  32  -1.886  -3.586  12.300
  276    H    HIS  33           HN       HIS  33  -3.999 -10.719   6.906
  277    HA   HIS  33           HA       HIS  33  -5.467 -10.257   4.655
  278   1HB   HIS  33          2HB       HIS  33  -4.199 -12.356   5.369
  279   2HB   HIS  33          3HB       HIS  33  -5.667 -12.872   6.197
  280    HD1  HIS  33           HD1      HIS  33  -7.801 -13.460   4.452
  281    HD2  HIS  33           HD2      HIS  33  -4.056 -12.505   2.759
  282    HE1  HIS  33           HE1      HIS  33  -7.817 -14.359   2.069
  283    HA   PRO  34           HA       PRO  34  -9.636  -9.654   6.413
  284   1HB   PRO  34          2HB       PRO  34 -11.119  -9.666   4.117
  285   2HB   PRO  34          3HB       PRO  34 -10.111  -8.265   4.588
  286   1HG   PRO  34          2HG       PRO  34  -9.339 -10.527   2.713
  287   2HG   PRO  34          3HG       PRO  34  -9.240  -8.780   2.389
  288   1HD   PRO  34          2HD       PRO  34  -7.099 -10.185   3.239
  289   2HD   PRO  34          3HD       PRO  34  -7.387  -8.560   3.943
  290    H    ASP  35           HN       ASP  35 -10.970 -11.326   7.095
  291    HA   ASP  35           HA       ASP  35 -11.421 -13.820   5.861
  292   1HB   ASP  35          2HB       ASP  35  -9.022 -14.284   6.023
  293   2HB   ASP  35          3HB       ASP  35  -8.991 -13.762   7.705
  294    H    ARG  36           HN       ARG  36 -10.430 -14.201   9.162
  295    HA   ARG  36           HA       ARG  36 -13.221 -14.000  10.085
  296   1HB   ARG  36          2HB       ARG  36 -12.192 -14.547  12.317
  297   2HB   ARG  36          3HB       ARG  36 -11.980 -15.771  11.066
  298   1HG   ARG  36          2HG       ARG  36  -9.674 -15.147  10.684
  299   2HG   ARG  36          3HG       ARG  36  -9.888 -13.675  11.640
  300   1HD   ARG  36          2HD       ARG  36  -8.745 -15.026  13.082
  301   2HD   ARG  36          3HD       ARG  36 -10.384 -15.298  13.636
  302    HE   ARG  36           HE       ARG  36  -8.527 -17.074  12.168
  303   1HH1  ARG  36          2HH2      ARG  36 -11.833 -16.816  13.549
  304   2HH1  ARG  36          1HH2      ARG  36 -12.129 -18.519  13.372
  305   1HH2  ARG  36          2HH1      ARG  36  -8.955 -19.267  11.973
  306   2HH2  ARG  36          1HH1      ARG  36 -10.606 -19.838  12.104
  307    H    ASN  37           HN       ASN  37 -12.204 -11.496   9.031
  308    HA   ASN  37           HA       ASN  37 -11.370  -9.864  11.355
  309   1HB   ASN  37          2HB       ASN  37 -11.062  -8.084   9.812
  310   2HB   ASN  37          3HB       ASN  37 -10.362  -9.540   9.100
  311   1HD2  ASN  37          2HD2      ASN  37 -13.618  -7.725   7.338
  312   2HD2  ASN  37          1HD2      ASN  37 -13.154  -7.309   8.990
  313    H    GLN  38           HN       GLN  38 -14.234 -11.198  10.796
  314    HA   GLN  38           HA       GLN  38 -15.902  -8.823  10.731
  315   1HB   GLN  38          2HB       GLN  38 -16.363 -11.264   9.750
  316   2HB   GLN  38          3HB       GLN  38 -16.849 -11.651  11.392
  317   1HG   GLN  38          2HG       GLN  38 -18.836 -11.017  10.224
  318   2HG   GLN  38          3HG       GLN  38 -18.443  -9.642  11.260
  319   1HE2  GLN  38          2HE2      GLN  38 -19.190  -7.973   8.108
  320   2HE2  GLN  38          1HE2      GLN  38 -20.024  -8.723   9.463
  321    H    GLY  39           HN       GLY  39 -14.665  -7.951  12.490
  322   1HA   GLY  39          1HA       GLY  39 -15.948  -7.875  15.013
  323   2HA   GLY  39          2HA       GLY  39 -14.606  -9.036  15.094
  324    H    ASP  40           HN       ASP  40 -12.633  -8.266  13.743
  325    HA   ASP  40           HA       ASP  40 -11.679  -6.015  15.093
  326   1HB   ASP  40          2HB       ASP  40 -10.319  -8.041  14.488
  327   2HB   ASP  40          3HB       ASP  40 -10.245  -7.416  12.827
  328    H    LYS  41           HN       LYS  41 -11.705  -3.882  14.380
  329    HA   LYS  41           HA       LYS  41 -13.010  -3.307  11.757
  330   1HB   LYS  41          2HB       LYS  41 -13.839  -2.598  14.117
  331   2HB   LYS  41          3HB       LYS  41 -12.699  -1.266  13.904
  332   1HG   LYS  41          2HG       LYS  41 -14.831  -2.125  11.847
  333   2HG   LYS  41          3HG       LYS  41 -15.053  -0.977  13.135
  334   1HD   LYS  41          2HD       LYS  41 -13.085   0.371  12.157
  335   2HD   LYS  41          3HD       LYS  41 -13.208  -0.698  10.735
  336   1HE   LYS  41          2HE       LYS  41 -15.640  -0.048  10.516
  337   2HE   LYS  41          3HE       LYS  41 -15.446   1.038  11.907
  338   1HZ   LYS  41          1HZ       LYS  41 -13.806   2.268  10.590
  339   2HZ   LYS  41          2HZ       LYS  41 -14.213   1.349   9.251
  340   3HZ   LYS  41          3HZ       LYS  41 -15.331   2.271   9.958
  341    H    GLU  42           HN       GLU  42 -10.414  -2.197  13.988
  342    HA   GLU  42           HA       GLU  42  -9.288  -0.384  12.106
  343   1HB   GLU  42          2HB       GLU  42  -8.024  -1.602  14.589
  344   2HB   GLU  42          3HB       GLU  42  -7.347  -0.289  13.618
  345   1HG   GLU  42          2HG       GLU  42  -9.566   0.964  13.967
  346   2HG   GLU  42          3HG       GLU  42  -9.972  -0.265  15.173
  347    H    ALA  43           HN       ALA  43  -8.412  -3.874  12.771
  348    HA   ALA  43           HA       ALA  43  -6.252  -3.916  11.161
  349   1HB   ALA  43          2HB       ALA  43  -6.919  -5.726  12.617
  350   2HB   ALA  43          3HB       ALA  43  -8.280  -6.138  11.537
  351   3HB   ALA  43          1HB       ALA  43  -6.604  -6.340  10.987
  352    H    GLU  44           HN       GLU  44  -9.672  -3.978  10.355
  353    HA   GLU  44           HA       GLU  44  -9.412  -4.773   7.599
  354   1HB   GLU  44          2HB       GLU  44 -11.427  -4.856   9.305
  355   2HB   GLU  44          3HB       GLU  44 -11.759  -3.214   8.754
  356   1HG   GLU  44          2HG       GLU  44 -11.452  -5.539   6.796
  357   2HG   GLU  44          3HG       GLU  44 -12.957  -5.260   7.670
  358    H    ALA  45           HN       ALA  45  -9.829  -1.620   9.316
  359    HA   ALA  45           HA       ALA  45  -9.599  -0.016   7.045
  360   1HB   ALA  45          1HB       ALA  45 -10.445   0.770   9.254
  361   2HB   ALA  45          2HB       ALA  45  -8.794   0.647   9.906
  362   3HB   ALA  45          3HB       ALA  45  -9.156   1.811   8.620
  363    H    LYS  46           HN       LYS  46  -7.170  -1.466   9.094
  364    HA   LYS  46           HA       LYS  46  -5.025   0.041   8.061
  365   1HB   LYS  46          2HB       LYS  46  -5.118  -1.496  10.203
  366   2HB   LYS  46          3HB       LYS  46  -4.664  -2.787   9.098
  367   1HG   LYS  46          2HG       LYS  46  -2.689  -1.972  10.128
  368   2HG   LYS  46          3HG       LYS  46  -2.623  -1.392   8.459
  369   1HD   LYS  46          2HD       LYS  46  -3.914   0.410  10.513
  370   2HD   LYS  46          3HD       LYS  46  -2.200   0.137  10.740
  371   1HE   LYS  46          2HE       LYS  46  -3.304   1.116   8.052
  372   2HE   LYS  46          3HE       LYS  46  -2.891   2.186   9.375
  373   1HZ   LYS  46          1HZ       LYS  46  -0.960   0.285   8.168
  374   2HZ   LYS  46          2HZ       LYS  46  -1.227   1.864   7.707
  375   3HZ   LYS  46          3HZ       LYS  46  -0.663   1.514   9.204
  376    H    PHE  47           HN       PHE  47  -6.386  -3.132   7.249
  377    HA   PHE  47           HA       PHE  47  -4.771  -3.778   5.011
  378   1HB   PHE  47          2HB       PHE  47  -6.263  -5.373   6.022
  379   2HB   PHE  47          3HB       PHE  47  -7.663  -4.390   5.656
  380    HD1  PHE  47          1HD       PHE  47  -4.795  -6.075   3.885
  381    HD2  PHE  47          2HD       PHE  47  -8.982  -5.050   3.890
  382    HE1  PHE  47          1HE       PHE  47  -5.146  -7.488   1.884
  383    HE2  PHE  47          2HE       PHE  47  -9.319  -6.411   1.854
  384    HZ   PHE  47           HZ       PHE  47  -7.439  -7.697   0.899
  385    H    LYS  48           HN       LYS  48  -7.428  -1.347   5.331
  386    HA   LYS  48           HA       LYS  48  -7.782  -1.132   2.508
  387   1HB   LYS  48          2HB       LYS  48  -8.361   0.951   4.615
  388   2HB   LYS  48          3HB       LYS  48  -8.786   1.080   2.914
  389   1HG   LYS  48          2HG       LYS  48 -10.277  -0.794   2.992
  390   2HG   LYS  48          3HG       LYS  48  -9.654  -1.271   4.565
  391   1HD   LYS  48          2HD       LYS  48 -10.474   1.246   5.217
  392   2HD   LYS  48          3HD       LYS  48 -11.504   1.034   3.810
  393   1HE   LYS  48          2HE       LYS  48 -11.428  -0.821   6.271
  394   2HE   LYS  48          3HE       LYS  48 -12.592   0.468   5.981
  395   1HZ   LYS  48          3HZ       LYS  48 -13.280  -0.825   3.981
  396   2HZ   LYS  48          1HZ       LYS  48 -12.241  -2.039   4.481
  397   3HZ   LYS  48          2HZ       LYS  48 -13.451  -1.624   5.420
  398    H    GLU  49           HN       GLU  49  -5.799   0.854   4.871
  399    HA   GLU  49           HA       GLU  49  -4.714   2.661   3.039
  400   1HB   GLU  49          2HB       GLU  49  -3.361   1.241   5.405
  401   2HB   GLU  49          3HB       GLU  49  -2.652   2.509   4.437
  402   1HG   GLU  49          2HG       GLU  49  -4.367   4.103   5.120
  403   2HG   GLU  49          3HG       GLU  49  -5.058   2.883   6.210
  404    H    ILE  50           HN       ILE  50  -3.520  -0.553   3.935
  405    HA   ILE  50           HA       ILE  50  -1.161  -0.394   2.354
  406    HB   ILE  50           HB       ILE  50  -2.594  -2.900   3.285
  407   1HG1  ILE  50          2HG1      ILE  50  -0.345  -1.532   4.808
  408   2HG1  ILE  50          3HG1      ILE  50  -1.978  -1.024   5.109
  409   1HG2  ILE  50          3HG2      ILE  50  -0.705  -3.242   1.644
  410   2HG2  ILE  50          1HG2      ILE  50   0.371  -2.346   2.719
  411   3HG2  ILE  50          2HG2      ILE  50  -0.321  -3.895   3.229
  412   1HD1  ILE  50          1HD1      ILE  50  -1.105  -3.906   5.390
  413   2HD1  ILE  50          2HD1      ILE  50  -1.311  -2.749   6.710
  414   3HD1  ILE  50          3HD1      ILE  50  -2.699  -3.253   5.736
  415    H    LYS  51           HN       LYS  51  -4.463  -1.703   1.647
  416    HA   LYS  51           HA       LYS  51  -3.742  -2.685  -0.965
  417   1HB   LYS  51          2HB       LYS  51  -5.794  -3.336   0.342
  418   2HB   LYS  51          3HB       LYS  51  -6.437  -1.711   0.051
  419   1HG   LYS  51          2HG       LYS  51  -6.210  -2.157  -2.447
  420   2HG   LYS  51          3HG       LYS  51  -5.661  -3.779  -2.056
  421   1HD   LYS  51          2HD       LYS  51  -7.986  -3.897  -2.644
  422   2HD   LYS  51          3HD       LYS  51  -7.834  -4.255  -0.919
  423   1HE   LYS  51          2HE       LYS  51  -9.766  -2.845  -1.449
  424   2HE   LYS  51          3HE       LYS  51  -8.690  -2.017  -0.328
  425   1HZ   LYS  51          2HZ       LYS  51  -8.287  -1.453  -3.159
  426   2HZ   LYS  51          3HZ       LYS  51  -9.647  -0.841  -2.471
  427   3HZ   LYS  51          1HZ       LYS  51  -8.242  -0.434  -1.828
  428    H    GLU  52           HN       GLU  52  -4.954   0.413   0.291
  429    HA   GLU  52           HA       GLU  52  -5.744   1.487  -2.197
  430   1HB   GLU  52          2HB       GLU  52  -6.488   2.006   0.211
  431   2HB   GLU  52          3HB       GLU  52  -5.085   3.037   0.357
  432   1HG   GLU  52          2HG       GLU  52  -7.105   3.346  -1.924
  433   2HG   GLU  52          3HG       GLU  52  -7.460   3.955  -0.297
  434    H    ALA  53           HN       ALA  53  -2.886   2.028  -0.135
  435    HA   ALA  53           HA       ALA  53  -1.408   3.851  -1.763
  436   1HB   ALA  53          1HB       ALA  53  -0.614   1.600   0.120
  437   2HB   ALA  53          2HB       ALA  53   0.603   2.570  -0.742
  438   3HB   ALA  53          3HB       ALA  53  -0.498   3.347   0.398
  439    H    TYR  54           HN       TYR  54  -1.351   0.254  -1.703
  440    HA   TYR  54           HA       TYR  54   0.412  -0.041  -3.876
  441   1HB   TYR  54          2HB       TYR  54   0.009  -1.889  -2.465
  442   2HB   TYR  54          3HB       TYR  54  -1.734  -1.780  -2.653
  443    HD1  TYR  54           HD1      TYR  54   1.100  -1.950  -5.142
  444    HD2  TYR  54           HD2      TYR  54  -2.625  -3.611  -3.747
  445    HE1  TYR  54           HE1      TYR  54   1.102  -3.532  -7.033
  446    HE2  TYR  54           HE2      TYR  54  -2.565  -5.251  -5.603
  447    HH   TYR  54           HH       TYR  54  -1.666  -5.278  -7.989
  448    H    GLU  55           HN       GLU  55  -3.200   0.216  -3.905
  449    HA   GLU  55           HA       GLU  55  -3.594  -0.240  -6.641
  450   1HB   GLU  55          2HB       GLU  55  -5.565  -0.353  -5.590
  451   2HB   GLU  55          3HB       GLU  55  -5.073   0.667  -4.250
  452   1HG   GLU  55          2HG       GLU  55  -5.469   2.676  -5.426
  453   2HG   GLU  55          3HG       GLU  55  -5.841   1.751  -6.902
  454    H    VAL  56           HN       VAL  56  -2.951   2.753  -4.785
  455    HA   VAL  56           HA       VAL  56  -3.187   4.550  -6.916
  456    HB   VAL  56           HB       VAL  56  -2.583   4.579  -4.115
  457   1HG1  VAL  56          3HG1      VAL  56  -0.161   4.955  -4.519
  458   2HG1  VAL  56          1HG1      VAL  56  -0.591   6.380  -5.485
  459   3HG1  VAL  56          2HG1      VAL  56  -0.994   6.312  -3.781
  460   1HG2  VAL  56          2HG2      VAL  56  -4.252   5.920  -5.344
  461   2HG2  VAL  56          3HG2      VAL  56  -3.265   6.832  -4.177
  462   3HG2  VAL  56          1HG2      VAL  56  -2.920   6.968  -5.906
  463    H    LEU  57           HN       LEU  57  -0.319   2.865  -5.610
  464    HA   LEU  57           HA       LEU  57   1.491   4.047  -7.494
  465   1HB   LEU  57          2HB       LEU  57   1.721   1.434  -5.929
  466   2HB   LEU  57          3HB       LEU  57   3.047   2.256  -6.762
  467    HG   LEU  57           HG       LEU  57   1.492   3.309  -4.358
  468   1HD1  LEU  57          1HD1      LEU  57   4.355   2.399  -4.764
  469   2HD1  LEU  57          2HD1      LEU  57   3.754   3.231  -3.315
  470   3HD1  LEU  57          3HD1      LEU  57   3.086   1.659  -3.756
  471   1HD2  LEU  57          1HD2      LEU  57   3.530   4.705  -6.102
  472   2HD2  LEU  57          2HD2      LEU  57   1.867   5.224  -5.754
  473   3HD2  LEU  57          3HD2      LEU  57   3.044   5.240  -4.469
  474    H    THR  58           HN       THR  58  -0.855   1.594  -8.087
  475    HA   THR  58           HA       THR  58   0.750   0.623 -10.411
  476    HB   THR  58           HB       THR  58  -0.887  -1.100 -10.633
  477    HG1  THR  58          1HG       THR  58  -2.216   0.322  -8.600
  478   1HG2  THR  58          2HG2      THR  58   0.298  -0.809  -7.838
  479   2HG2  THR  58          3HG2      THR  58  -0.402  -2.292  -8.512
  480   3HG2  THR  58          1HG2      THR  58   1.019  -1.559  -9.254
  481    H    ASP  59           HN       ASP  59  -0.580   3.400 -10.194
  482    HA   ASP  59           HA       ASP  59  -2.022   3.227 -12.821
  483   1HB   ASP  59          2HB       ASP  59  -3.538   3.927 -11.044
  484   2HB   ASP  59          3HB       ASP  59  -2.353   5.121 -10.499
  485    H    SER  60           HN       SER  60  -1.751   5.339 -14.035
  486    HA   SER  60           HA       SER  60   0.749   5.508 -15.040
  487   1HB   SER  60          2HB       SER  60  -1.190   7.864 -14.938
  488   2HB   SER  60          3HB       SER  60   0.039   7.531 -16.168
  489    HG   SER  60           HG       SER  60  -2.234   6.850 -16.584
  490    H    GLN  61           HN       GLN  61  -0.426   8.325 -12.972
  491    HA   GLN  61           HA       GLN  61   2.397   8.635 -12.071
  492   1HB   GLN  61          2HB       GLN  61   1.663  10.538 -13.238
  493   2HB   GLN  61          3HB       GLN  61   0.121  10.619 -12.391
  494   1HG   GLN  61          2HG       GLN  61   1.070  11.354 -10.409
  495   2HG   GLN  61          3HG       GLN  61   2.634  10.586 -10.745
  496   1HE2  GLN  61          2HE2      GLN  61   3.945  13.267 -12.711
  497   2HE2  GLN  61          1HE2      GLN  61   3.844  11.516 -12.721
  498    H    LYS  62           HN       LYS  62  -0.733   9.598 -10.632
  499    HA   LYS  62           HA       LYS  62  -1.146   9.546  -8.315
  500   1HB   LYS  62          2HB       LYS  62  -1.487   6.791  -9.459
  501   2HB   LYS  62          3HB       LYS  62  -1.796   7.066  -7.751
  502   1HG   LYS  62          2HG       LYS  62  -3.386   8.914  -8.325
  503   2HG   LYS  62          3HG       LYS  62  -3.182   8.461 -10.030
  504   1HD   LYS  62          2HD       LYS  62  -3.961   6.108  -9.365
  505   2HD   LYS  62          3HD       LYS  62  -4.245   6.700  -7.742
  506   1HE   LYS  62          2HE       LYS  62  -6.299   6.536  -9.075
  507   2HE   LYS  62          3HE       LYS  62  -6.025   8.190  -8.505
  508   1HZ   LYS  62          2HZ       LYS  62  -5.206   7.271 -11.176
  509   2HZ   LYS  62          3HZ       LYS  62  -6.698   7.916 -10.916
  510   3HZ   LYS  62          1HZ       LYS  62  -5.350   8.816 -10.660
  511    H    ARG  63           HN       ARG  63   1.146  10.182  -7.912
  512    HA   ARG  63           HA       ARG  63   2.400   8.849  -5.771
  513   1HB   ARG  63          2HB       ARG  63   3.122   7.000  -6.899
  514   2HB   ARG  63          3HB       ARG  63   3.039   7.766  -8.461
  515   1HG   ARG  63          2HG       ARG  63   5.229   7.100  -8.198
  516   2HG   ARG  63          3HG       ARG  63   5.296   8.824  -8.143
  517   1HD   ARG  63          2HD       ARG  63   6.658   8.324  -6.367
  518   2HD   ARG  63          3HD       ARG  63   5.129   8.471  -5.515
  519    HE   ARG  63           HE       ARG  63   6.143   5.839  -6.645
  520   1HH1  ARG  63          2HH2      ARG  63   4.858   7.593  -3.825
  521   2HH1  ARG  63          1HH2      ARG  63   5.154   6.321  -2.739
  522   1HH2  ARG  63          2HH1      ARG  63   6.174   4.113  -5.431
  523   2HH2  ARG  63          1HH1      ARG  63   5.733   4.112  -3.724
  524    H    ALA  64           HN       ALA  64   3.799  10.016  -8.825
  525    HA   ALA  64           HA       ALA  64   5.493  11.801  -7.471
  526   1HB   ALA  64          1HB       ALA  64   4.715  11.774 -10.409
  527   2HB   ALA  64          2HB       ALA  64   6.093  12.635  -9.698
  528   3HB   ALA  64          3HB       ALA  64   6.032  10.858  -9.659
  529    H    ALA  65           HN       ALA  65   2.236  12.364  -8.818
  530    HA   ALA  65           HA       ALA  65   2.091  15.129  -8.738
  531   1HB   ALA  65          1HB       ALA  65   0.012  13.154  -7.682
  532   2HB   ALA  65          2HB       ALA  65  -0.254  14.853  -8.101
  533   3HB   ALA  65          3HB       ALA  65   0.159  13.693  -9.379
  534    H    TYR  66           HN       TYR  66   1.986  12.739  -6.089
  535    HA   TYR  66           HA       TYR  66   1.133  14.618  -4.118
  536   1HB   TYR  66          2HB       TYR  66   0.999  11.947  -4.245
  537   2HB   TYR  66          3HB       TYR  66   2.625  11.967  -3.608
  538    HD1  TYR  66           HD2      TYR  66  -0.946  12.464  -2.919
  539    HD2  TYR  66           HD1      TYR  66   3.000  12.336  -1.238
  540    HE1  TYR  66           HE2      TYR  66  -1.916  12.383  -0.642
  541    HE2  TYR  66           HE1      TYR  66   2.040  12.333   1.045
  542    HH   TYR  66           HH       TYR  66  -1.489  12.239   1.605
  543    H    ASP  67           HN       ASP  67   4.268  13.162  -5.110
  544    HA   ASP  67           HA       ASP  67   5.786  14.857  -3.300
  545   1HB   ASP  67          2HB       ASP  67   6.448  12.588  -4.022
  546   2HB   ASP  67          3HB       ASP  67   6.686  13.219  -5.659
  547    H    GLN  68           HN       GLN  68   4.291  15.578  -6.273
  548    HA   GLN  68           HA       GLN  68   5.995  17.954  -6.744
  549   1HB   GLN  68          2HB       GLN  68   4.145  16.287  -8.277
  550   2HB   GLN  68          3HB       GLN  68   3.582  17.917  -8.289
  551   1HG   GLN  68          2HG       GLN  68   6.538  17.580  -8.843
  552   2HG   GLN  68          3HG       GLN  68   5.435  16.855 -10.008
  553   1HE2  GLN  68          2HE2      GLN  68   5.228  20.943  -9.536
  554   2HE2  GLN  68          1HE2      GLN  68   6.114  19.996  -8.359
  555    H    TYR  69           HN       TYR  69   3.645  17.044  -4.611
  556    HA   TYR  69           HA       TYR  69   1.976  17.791  -3.534
  557   1HB   TYR  69          2HB       TYR  69   3.221  20.450  -3.549
  558   2HB   TYR  69          3HB       TYR  69   2.574  19.494  -2.186
  559    HD1  TYR  69           HD2      TYR  69   3.947  17.327  -1.627
  560    HD2  TYR  69           HD1      TYR  69   5.531  20.569  -3.957
  561    HE1  TYR  69           HE2      TYR  69   6.228  16.371  -1.406
  562    HE2  TYR  69           HE1      TYR  69   7.774  19.522  -3.866
  563    HH   TYR  69           HH       TYR  69   8.307  16.375  -2.708
  564    H    GLY  70           HN       GLY  70   1.000  17.448  -5.783
  565   1HA   GLY  70          1HA       GLY  70   0.364  19.460  -7.528
  566   2HA   GLY  70          2HA       GLY  70  -0.692  18.067  -7.279
  567    H    HIS  71           HN       HIS  71  -1.441  18.578  -4.797
  568    HA   HIS  71           HA       HIS  71  -2.692  21.275  -4.517
  569   1HB   HIS  71          2HB       HIS  71  -4.316  19.817  -5.707
  570   2HB   HIS  71          3HB       HIS  71  -4.190  18.637  -4.389
  571    HD1  HIS  71           HD1      HIS  71  -4.772  22.461  -3.892
  572    HD2  HIS  71           HD2      HIS  71  -6.619  18.687  -3.489
  573    HE1  HIS  71           HE1      HIS  71  -6.952  22.829  -2.649
  574    H    ALA  72           HN       ALA  72  -0.670  21.006  -3.097
  575    HA   ALA  72           HA       ALA  72   0.171  20.981  -0.957
  576   1HB   ALA  72          2HB       ALA  72  -2.819  21.166  -0.376
  577   2HB   ALA  72          3HB       ALA  72  -1.579  21.362   0.850
  578   3HB   ALA  72          1HB       ALA  72  -1.640  22.496  -0.506
  579    H    ALA  73           HN       ALA  73   0.637  18.655  -1.789
  580    HA   ALA  73           HA       ALA  73  -0.998  16.542  -0.636
  581   1HB   ALA  73          3HB       ALA  73   0.108  16.492  -2.919
  582   2HB   ALA  73          1HB       ALA  73   1.644  16.345  -2.043
  583   3HB   ALA  73          2HB       ALA  73   0.429  15.081  -1.897
  584    H    PHE  74           HN       PHE  74   2.539  17.291  -0.324
  585    HA   PHE  74           HA       PHE  74   2.669  16.024   2.343
  586   1HB   PHE  74          2HB       PHE  74   4.730  17.496   0.642
  587   2HB   PHE  74          3HB       PHE  74   4.967  17.005   2.284
  588    HD1  PHE  74          2HD       PHE  74   3.648  15.114  -0.734
  589    HD2  PHE  74          1HD       PHE  74   6.515  15.352   2.495
  590    HE1  PHE  74          2HE       PHE  74   4.983  13.308  -1.758
  591    HE2  PHE  74          1HE       PHE  74   7.749  13.452   1.530
  592    HZ   PHE  74           HZ       PHE  74   7.010  12.466  -0.660
  593    H    GLU  75           HN       GLU  75   0.720  17.754   2.625
  594    HA   GLU  75           HA       GLU  75   1.932  19.931   4.195
  595   1HB   GLU  75          2HB       GLU  75  -0.572  19.950   2.487
  596   2HB   GLU  75          3HB       GLU  75  -0.176  21.171   3.680
  597   1HG   GLU  75          2HG       GLU  75   1.771  20.517   1.399
  598   2HG   GLU  75          3HG       GLU  75   0.501  21.705   1.234
  599    H    GLN  76           HN       GLN  76   1.116  17.043   4.544
  600    HA   GLN  76           HA       GLN  76  -0.913  16.785   6.483
  601   1HB   GLN  76          2HB       GLN  76   0.420  14.959   5.292
  602   2HB   GLN  76          3HB       GLN  76   1.801  15.405   6.300
  603   1HG   GLN  76          2HG       GLN  76   0.751  13.476   7.276
  604   2HG   GLN  76          3HG       GLN  76   0.426  14.843   8.341
  605   1HE2  GLN  76          2HE2      GLN  76  -2.654  13.156   6.105
  606   2HE2  GLN  76          1HE2      GLN  76  -0.980  13.018   5.571
   
  No H/Q in entry =         606
  Start of MODEL    4
    1   1H    ALA   2          1HN       ALA   2   6.629  14.898   3.149
    2   2H    ALA   2          2HN       ALA   2   6.732  14.562   4.727
    3   3H    ALA   2          3HN       ALA   2   6.576  16.137   4.286
    4    HA   ALA   2           HA       ALA   2   8.733  16.102   3.283
    5   1HB   ALA   2          1HB       ALA   2   8.678  14.991   6.118
    6   2HB   ALA   2          2HB       ALA   2  10.118  15.655   5.308
    7   3HB   ALA   2          3HB       ALA   2   8.712  16.697   5.615
    8    H    LYS   3           HN       LYS   3   9.055  13.110   5.298
    9    HA   LYS   3           HA       LYS   3  10.541  11.863   3.213
   10   1HB   LYS   3          2HB       LYS   3  10.797  11.242   5.537
   11   2HB   LYS   3          3HB       LYS   3   9.136  10.619   5.613
   12   1HG   LYS   3          2HG       LYS   3   9.715   8.724   4.255
   13   2HG   LYS   3          3HG       LYS   3  11.162   9.539   3.634
   14   1HD   LYS   3          2HD       LYS   3  11.931   7.872   5.174
   15   2HD   LYS   3          3HD       LYS   3  12.224   9.464   5.853
   16   1HE   LYS   3          2HE       LYS   3  11.424   8.135   7.637
   17   2HE   LYS   3          3HE       LYS   3  10.063   9.180   7.222
   18   1HZ   LYS   3          3HZ       LYS   3  10.374   6.391   6.292
   19   2HZ   LYS   3          1HZ       LYS   3   9.500   6.881   7.607
   20   3HZ   LYS   3          2HZ       LYS   3   9.005   7.338   6.138
   21    H    GLN   4           HN       GLN   4  10.020  10.179   1.837
   22    HA   GLN   4           HA       GLN   4   7.667  10.044   0.385
   23   1HB   GLN   4          2HB       GLN   4  10.122   8.486   0.870
   24   2HB   GLN   4          3HB       GLN   4   8.803   7.517   0.337
   25   1HG   GLN   4          2HG       GLN   4  10.055   8.238  -1.614
   26   2HG   GLN   4          3HG       GLN   4   8.430   8.935  -1.637
   27   1HE2  GLN   4          2HE2      GLN   4  10.141  11.967  -2.434
   28   2HE2  GLN   4          1HE2      GLN   4   9.169  10.656  -3.055
   29    H    ASP   5           HN       ASP   5   5.891   9.884   1.428
   30    HA   ASP   5           HA       ASP   5   5.451   7.960   3.647
   31   1HB   ASP   5          2HB       ASP   5   4.458  10.470   3.390
   32   2HB   ASP   5          3HB       ASP   5   3.160   9.585   2.593
   33    H    TYR   6           HN       TYR   6   3.248   6.757   3.430
   34    HA   TYR   6           HA       TYR   6   2.209   4.968   2.448
   35   1HB   TYR   6          2HB       TYR   6   2.622   6.202  -0.265
   36   2HB   TYR   6          3HB       TYR   6   1.272   5.264   0.343
   37    HD1  TYR   6           HD1      TYR   6   0.004   6.367   2.451
   38    HD2  TYR   6           HD2      TYR   6   2.470   8.579  -0.303
   39    HE1  TYR   6           HE1      TYR   6  -1.275   8.416   2.959
   40    HE2  TYR   6           HE2      TYR   6   1.225  10.651   0.264
   41    HH   TYR   6           HH       TYR   6  -1.493  10.642   2.592
   42    H    TYR   7           HN       TYR   7   5.346   5.183   2.432
   43    HA   TYR   7           HA       TYR   7   5.779   2.657   0.871
   44   1HB   TYR   7          2HB       TYR   7   7.705   4.881   1.600
   45   2HB   TYR   7          3HB       TYR   7   8.216   3.282   1.087
   46    HD1  TYR   7           HD2      TYR   7   7.952   2.504  -1.232
   47    HD2  TYR   7           HD1      TYR   7   6.732   6.442  -0.014
   48    HE1  TYR   7           HE2      TYR   7   7.898   3.221  -3.600
   49    HE2  TYR   7           HE1      TYR   7   6.566   7.135  -2.383
   50    HH   TYR   7           HH       TYR   7   6.930   6.541  -4.537
   51    H    GLU   8           HN       GLU   8   6.642   4.440   3.955
   52    HA   GLU   8           HA       GLU   8   7.776   2.100   5.099
   53   1HB   GLU   8          2HB       GLU   8   7.496   4.881   5.681
   54   2HB   GLU   8          3HB       GLU   8   6.727   4.045   7.007
   55   1HG   GLU   8          2HG       GLU   8   9.535   3.616   5.939
   56   2HG   GLU   8          3HG       GLU   8   9.122   4.489   7.420
   57    H    ILE   9           HN       ILE   9   4.493   3.243   4.698
   58    HA   ILE   9           HA       ILE   9   3.220   2.002   6.835
   59    HB   ILE   9           HB       ILE   9   2.390   3.038   4.134
   60   1HG1  ILE   9          2HG1      ILE   9   1.440   3.614   6.980
   61   2HG1  ILE   9          3HG1      ILE   9   2.846   4.391   6.245
   62   1HG2  ILE   9          2HG2      ILE   9   0.619   1.351   5.939
   63   2HG2  ILE   9          3HG2      ILE   9  -0.023   2.496   4.749
   64   3HG2  ILE   9          1HG2      ILE   9   0.931   1.130   4.209
   65   1HD1  ILE   9          3HD1      ILE   9   1.429   5.343   4.465
   66   2HD1  ILE   9          1HD1      ILE   9  -0.012   4.644   5.236
   67   3HD1  ILE   9          2HD1      ILE   9   0.960   5.855   6.088
   68    H    LEU  10           HN       LEU  10   3.412   0.791   3.392
   69    HA   LEU  10           HA       LEU  10   2.668  -1.797   4.374
   70   1HB   LEU  10          2HB       LEU  10   2.730  -2.533   2.215
   71   2HB   LEU  10          3HB       LEU  10   1.781  -1.067   2.334
   72    HG   LEU  10           HG       LEU  10   4.531  -1.302   1.042
   73   1HD1  LEU  10          3HD1      LEU  10   1.708  -1.164  -0.077
   74   2HD1  LEU  10          1HD1      LEU  10   3.182  -0.988  -1.037
   75   3HD1  LEU  10          2HD1      LEU  10   2.847  -2.517  -0.208
   76   1HD2  LEU  10          3HD2      LEU  10   2.615   1.031   1.321
   77   2HD2  LEU  10          1HD2      LEU  10   4.329   0.960   1.746
   78   3HD2  LEU  10          2HD2      LEU  10   3.865   0.941   0.055
   79    H    GLY  11           HN       GLY  11   5.708  -0.116   3.758
   80   1HA   GLY  11          1HA       GLY  11   7.441  -0.570   5.290
   81   2HA   GLY  11          2HA       GLY  11   6.948  -2.268   5.407
   82    H    VAL  12           HN       VAL  12   8.411   0.210   3.316
   83    HA   VAL  12           HA       VAL  12   9.980  -1.753   1.898
   84    HB   VAL  12           HB       VAL  12   7.880  -2.059   0.748
   85   1HG1  VAL  12          1HG1      VAL  12   7.787   0.969   0.589
   86   2HG1  VAL  12          2HG1      VAL  12   6.888  -0.057  -0.526
   87   3HG1  VAL  12          3HG1      VAL  12   6.557  -0.167   1.201
   88   1HG2  VAL  12          2HG2      VAL  12   9.978  -1.893  -0.601
   89   2HG2  VAL  12          3HG2      VAL  12   8.459  -1.585  -1.493
   90   3HG2  VAL  12          1HG2      VAL  12   9.464  -0.224  -0.952
   91    H    SER  13           HN       SER  13  11.487  -0.717   0.434
   92    HA   SER  13           HA       SER  13  12.802   1.420   1.516
   93   1HB   SER  13          2HB       SER  13  13.052  -0.394  -0.731
   94   2HB   SER  13          3HB       SER  13  13.290   1.209  -1.348
   95    HG   SER  13           HG       SER  13  15.137  -0.093  -0.395
   96    H    LYS  14           HN       LYS  14  13.037   3.613   0.950
   97    HA   LYS  14           HA       LYS  14  10.664   5.012   0.912
   98   1HB   LYS  14          2HB       LYS  14  13.400   5.979  -0.008
   99   2HB   LYS  14          3HB       LYS  14  12.033   7.016   0.426
  100   1HG   LYS  14          2HG       LYS  14  12.096   5.780   2.731
  101   2HG   LYS  14          3HG       LYS  14  13.727   5.278   2.259
  102   1HD   LYS  14          2HD       LYS  14  12.664   8.132   2.435
  103   2HD   LYS  14          3HD       LYS  14  13.767   7.346   3.573
  104   1HE   LYS  14          2HE       LYS  14  15.534   7.248   1.879
  105   2HE   LYS  14          3HE       LYS  14  14.433   7.836   0.626
  106   1HZ   LYS  14          3HZ       LYS  14  14.192   9.881   1.914
  107   2HZ   LYS  14          1HZ       LYS  14  15.437   9.420   2.880
  108   3HZ   LYS  14          2HZ       LYS  14  15.654   9.657   1.258
  109    H    THR  15           HN       THR  15  12.844   4.530  -1.898
  110    HA   THR  15           HA       THR  15  10.641   5.483  -3.699
  111    HB   THR  15           HB       THR  15  12.447   6.225  -5.198
  112    HG1  THR  15          1HG       THR  15  14.502   6.415  -4.464
  113   1HG2  THR  15          2HG2      THR  15  12.491   7.464  -2.391
  114   2HG2  THR  15          3HG2      THR  15  13.067   8.245  -3.863
  115   3HG2  THR  15          1HG2      THR  15  11.348   7.841  -3.699
  116    H    ALA  16           HN       ALA  16  10.773   2.864  -2.645
  117    HA   ALA  16           HA       ALA  16  12.238   1.075  -4.296
  118   1HB   ALA  16          2HB       ALA  16   9.586   0.733  -2.877
  119   2HB   ALA  16          3HB       ALA  16  10.605  -0.592  -3.472
  120   3HB   ALA  16          1HB       ALA  16  11.209   0.428  -2.172
  121    H    GLU  17           HN       GLU  17  11.371  -0.399  -5.930
  122    HA   GLU  17           HA       GLU  17   9.824   0.923  -7.949
  123   1HB   GLU  17          2HB       GLU  17  11.791  -0.841  -8.092
  124   2HB   GLU  17          3HB       GLU  17  10.521  -2.039  -7.790
  125   1HG   GLU  17          2HG       GLU  17   9.297  -0.898  -9.776
  126   2HG   GLU  17          3HG       GLU  17  10.812  -0.003 -10.018
  127    H    GLU  18           HN       GLU  18   7.825   0.166  -8.726
  128    HA   GLU  18           HA       GLU  18   5.702  -0.641  -7.066
  129   1HB   GLU  18          2HB       GLU  18   5.621   0.358  -9.314
  130   2HB   GLU  18          3HB       GLU  18   6.172  -1.149 -10.055
  131   1HG   GLU  18          2HG       GLU  18   3.738  -1.063  -8.236
  132   2HG   GLU  18          3HG       GLU  18   3.668  -0.477  -9.891
  133    H    ARG  19           HN       ARG  19   8.150  -2.491  -8.942
  134    HA   ARG  19           HA       ARG  19   6.952  -5.032  -8.573
  135   1HB   ARG  19          2HB       ARG  19   8.664  -4.337 -10.315
  136   2HB   ARG  19          3HB       ARG  19   9.881  -4.391  -9.046
  137   1HG   ARG  19          2HG       ARG  19   9.864  -6.405 -10.372
  138   2HG   ARG  19          3HG       ARG  19   9.484  -6.766  -8.698
  139   1HD   ARG  19          2HD       ARG  19   7.322  -7.471  -9.153
  140   2HD   ARG  19          3HD       ARG  19   7.063  -6.282 -10.418
  141    HE   ARG  19           HE       ARG  19   7.850  -8.982 -10.803
  142   1HH1  ARG  19          2HH2      ARG  19   7.833  -5.773 -12.312
  143   2HH1  ARG  19          1HH2      ARG  19   8.959  -6.253 -13.584
  144   1HH2  ARG  19          2HH1      ARG  19   9.585  -9.469 -12.427
  145   2HH2  ARG  19          1HH1      ARG  19   9.866  -8.248 -13.673
  146    H    GLU  20           HN       GLU  20   8.893  -3.092  -6.418
  147    HA   GLU  20           HA       GLU  20   9.452  -5.355  -4.597
  148   1HB   GLU  20          2HB       GLU  20  11.256  -3.818  -5.024
  149   2HB   GLU  20          3HB       GLU  20  10.274  -2.453  -4.473
  150   1HG   GLU  20          2HG       GLU  20  10.151  -3.370  -2.244
  151   2HG   GLU  20          3HG       GLU  20  10.826  -4.930  -2.776
  152    H    ILE  21           HN       ILE  21   7.443  -2.441  -4.969
  153    HA   ILE  21           HA       ILE  21   6.005  -2.504  -2.529
  154    HB   ILE  21           HB       ILE  21   5.305  -1.825  -5.384
  155   1HG1  ILE  21          2HG1      ILE  21   6.862  -0.367  -3.990
  156   2HG1  ILE  21          3HG1      ILE  21   5.524   0.416  -4.844
  157   1HG2  ILE  21          3HG2      ILE  21   3.336  -1.705  -3.136
  158   2HG2  ILE  21          1HG2      ILE  21   3.210  -0.732  -4.622
  159   3HG2  ILE  21          2HG2      ILE  21   3.203  -2.492  -4.720
  160   1HD1  ILE  21          3HD1      ILE  21   5.312  -0.471  -1.960
  161   2HD1  ILE  21          1HD1      ILE  21   5.845   1.152  -2.463
  162   3HD1  ILE  21          2HD1      ILE  21   4.211   0.569  -2.866
  163    H    ARG  22           HN       ARG  22   5.568  -4.360  -5.547
  164    HA   ARG  22           HA       ARG  22   3.380  -5.891  -4.858
  165   1HB   ARG  22          2HB       ARG  22   5.489  -6.017  -6.833
  166   2HB   ARG  22          3HB       ARG  22   5.376  -7.614  -6.110
  167   1HG   ARG  22          2HG       ARG  22   3.860  -7.742  -7.848
  168   2HG   ARG  22          3HG       ARG  22   2.789  -7.369  -6.492
  169   1HD   ARG  22          2HD       ARG  22   3.053  -4.875  -7.234
  170   2HD   ARG  22          3HD       ARG  22   3.912  -5.496  -8.620
  171    HE   ARG  22           HE       ARG  22   1.067  -6.230  -7.903
  172   1HH1  ARG  22          2HH2      ARG  22   3.068  -4.672 -10.311
  173   2HH1  ARG  22          1HH2      ARG  22   2.446  -5.591 -11.683
  174   1HH2  ARG  22          2HH1      ARG  22  -0.135  -7.051  -9.745
  175   2HH2  ARG  22          1HH1      ARG  22   0.187  -6.231 -11.280
  176    H    LYS  23           HN       LYS  23   6.719  -6.317  -3.684
  177    HA   LYS  23           HA       LYS  23   6.314  -8.864  -2.612
  178   1HB   LYS  23          2HB       LYS  23   8.436  -6.857  -1.810
  179   2HB   LYS  23          3HB       LYS  23   8.511  -8.592  -1.601
  180   1HG   LYS  23          2HG       LYS  23   8.389  -7.240  -4.337
  181   2HG   LYS  23          3HG       LYS  23   9.879  -7.545  -3.449
  182   1HD   LYS  23          2HD       LYS  23   9.348  -9.975  -3.426
  183   2HD   LYS  23          3HD       LYS  23   7.938  -9.687  -4.461
  184   1HE   LYS  23          2HE       LYS  23  10.794  -8.793  -5.156
  185   2HE   LYS  23          3HE       LYS  23  10.158 -10.365  -5.634
  186   1HZ   LYS  23          1HZ       LYS  23   8.953  -7.800  -6.516
  187   2HZ   LYS  23          2HZ       LYS  23   9.980  -8.764  -7.381
  188   3HZ   LYS  23          3HZ       LYS  23   8.557  -9.361  -6.979
  189    H    ALA  24           HN       ALA  24   6.513  -5.547  -1.244
  190    HA   ALA  24           HA       ALA  24   5.985  -6.155   1.474
  191   1HB   ALA  24          3HB       ALA  24   5.253  -3.672  -0.149
  192   2HB   ALA  24          1HB       ALA  24   5.144  -3.811   1.616
  193   3HB   ALA  24          2HB       ALA  24   6.720  -3.941   0.828
  194    H    TYR  25           HN       TYR  25   3.748  -5.295  -1.179
  195    HA   TYR  25           HA       TYR  25   1.334  -5.478   0.229
  196   1HB   TYR  25          2HB       TYR  25   1.451  -4.588  -2.014
  197   2HB   TYR  25          3HB       TYR  25   1.994  -6.131  -2.668
  198    HD1  TYR  25           HD2      TYR  25  -0.896  -4.529  -0.871
  199    HD2  TYR  25           HD1      TYR  25   0.416  -7.740  -3.430
  200    HE1  TYR  25           HE2      TYR  25  -3.253  -5.152  -1.305
  201    HE2  TYR  25           HE1      TYR  25  -1.942  -8.388  -3.821
  202    HH   TYR  25           HH       TYR  25  -4.174  -7.867  -3.454
  203    H    LYS  26           HN       LYS  26   3.063  -8.125  -1.593
  204    HA   LYS  26           HA       LYS  26   1.200 -10.060  -0.909
  205   1HB   LYS  26          2HB       LYS  26   2.497 -11.547  -1.945
  206   2HB   LYS  26          3HB       LYS  26   3.306 -10.108  -2.488
  207   1HG   LYS  26          2HG       LYS  26   5.178 -11.060  -1.882
  208   2HG   LYS  26          3HG       LYS  26   4.820 -10.731  -0.220
  209   1HD   LYS  26          2HD       LYS  26   4.255 -13.302  -1.776
  210   2HD   LYS  26          3HD       LYS  26   5.508 -13.014  -0.579
  211   1HE   LYS  26          2HE       LYS  26   3.925 -14.347   0.489
  212   2HE   LYS  26          3HE       LYS  26   3.760 -12.752   1.209
  213   1HZ   LYS  26          2HZ       LYS  26   1.969 -13.688  -0.980
  214   2HZ   LYS  26          3HZ       LYS  26   1.652 -14.003   0.598
  215   3HZ   LYS  26          1HZ       LYS  26   1.680 -12.491   0.106
  216    H    ARG  27           HN       ARG  27   3.960  -8.866   0.972
  217    HA   ARG  27           HA       ARG  27   3.926 -10.908   2.972
  218   1HB   ARG  27          2HB       ARG  27   5.803  -9.276   2.424
  219   2HB   ARG  27          3HB       ARG  27   4.876  -8.019   3.256
  220   1HG   ARG  27          2HG       ARG  27   4.850  -9.614   5.290
  221   2HG   ARG  27          3HG       ARG  27   6.083 -10.547   4.434
  222   1HD   ARG  27          2HD       ARG  27   6.237  -7.601   5.256
  223   2HD   ARG  27          3HD       ARG  27   7.048  -8.959   6.032
  224    HE   ARG  27           HE       ARG  27   7.726  -8.673   3.207
  225   1HH1  ARG  27          2HH2      ARG  27   8.436  -7.342   6.424
  226   2HH1  ARG  27          1HH2      ARG  27  10.152  -7.231   6.152
  227   1HH2  ARG  27          2HH1      ARG  27   9.945  -8.145   2.725
  228   2HH2  ARG  27          1HH1      ARG  27  11.015  -7.684   4.002
  229    H    LEU  28           HN       LEU  28   2.700  -7.518   3.017
  230    HA   LEU  28           HA       LEU  28   1.459  -7.873   5.531
  231   1HB   LEU  28          2HB       LEU  28   1.854  -5.713   3.696
  232   2HB   LEU  28          3HB       LEU  28   0.141  -5.738   4.114
  233    HG   LEU  28           HG       LEU  28   2.358  -5.948   6.193
  234   1HD1  LEU  28          3HD1      LEU  28   0.944  -3.492   5.163
  235   2HD1  LEU  28          1HD1      LEU  28   1.988  -3.519   6.597
  236   3HD1  LEU  28          2HD1      LEU  28   2.659  -3.899   5.000
  237   1HD2  LEU  28          3HD2      LEU  28  -0.591  -5.237   6.374
  238   2HD2  LEU  28          1HD2      LEU  28   0.134  -6.679   6.984
  239   3HD2  LEU  28          2HD2      LEU  28   0.537  -5.105   7.717
  240    H    ALA  29           HN       ALA  29   0.237  -8.359   2.263
  241    HA   ALA  29           HA       ALA  29  -2.471  -8.448   2.811
  242   1HB   ALA  29          2HB       ALA  29  -0.813 -10.097   0.839
  243   2HB   ALA  29          3HB       ALA  29  -2.577 -10.017   0.811
  244   3HB   ALA  29          1HB       ALA  29  -1.629  -8.546   0.523
  245    H    MET  30           HN       MET  30  -0.021 -10.949   3.522
  246    HA   MET  30           HA       MET  30  -2.062 -12.758   4.483
  247   1HB   MET  30          2HB       MET  30  -0.234 -14.305   5.002
  248   2HB   MET  30          3HB       MET  30  -0.394 -13.893   3.292
  249   1HG   MET  30          2HG       MET  30   1.469 -12.327   3.464
  250   2HG   MET  30          3HG       MET  30   1.693 -12.723   5.178
  251   1HE   MET  30          3HE       MET  30   2.522 -15.091   5.982
  252   2HE   MET  30          1HE       MET  30   1.335 -15.989   4.998
  253   3HE   MET  30          2HE       MET  30   3.064 -16.381   4.880
  254    H    LYS  31           HN       LYS  31   0.517 -10.637   5.679
  255    HA   LYS  31           HA       LYS  31   0.591 -11.430   8.366
  256   1HB   LYS  31          2HB       LYS  31   2.007  -9.740   6.928
  257   2HB   LYS  31          3HB       LYS  31   0.870  -8.550   7.566
  258   1HG   LYS  31          2HG       LYS  31   1.637  -9.084   9.870
  259   2HG   LYS  31          3HG       LYS  31   2.636 -10.383   9.217
  260   1HD   LYS  31          2HD       LYS  31   4.148  -8.613   9.578
  261   2HD   LYS  31          3HD       LYS  31   3.875  -8.618   7.833
  262   1HE   LYS  31          2HE       LYS  31   2.095  -6.775   8.306
  263   2HE   LYS  31          3HE       LYS  31   2.732  -6.722   9.944
  264   1HZ   LYS  31          3HZ       LYS  31   4.871  -6.051   9.021
  265   2HZ   LYS  31          1HZ       LYS  31   4.286  -6.024   7.484
  266   3HZ   LYS  31          2HZ       LYS  31   3.690  -5.022   8.606
  267    H    TYR  32           HN       TYR  32  -1.602  -9.183   6.689
  268    HA   TYR  32           HA       TYR  32  -3.535  -9.216   8.931
  269   1HB   TYR  32          2HB       TYR  32  -2.234  -6.826   7.588
  270   2HB   TYR  32          3HB       TYR  32  -3.864  -6.725   8.212
  271    HD1  TYR  32           HD2      TYR  32  -4.385  -7.321  10.591
  272    HD2  TYR  32           HD1      TYR  32  -0.340  -6.834   9.221
  273    HE1  TYR  32           HE2      TYR  32  -3.673  -6.720  12.888
  274    HE2  TYR  32           HE1      TYR  32   0.368  -6.229  11.512
  275    HH   TYR  32           HH       TYR  32  -2.068  -5.576  14.044
  276    H    HIS  33           HN       HIS  33  -3.726 -10.944   6.963
  277    HA   HIS  33           HA       HIS  33  -5.264 -10.103   4.741
  278   1HB   HIS  33          2HB       HIS  33  -4.280 -12.432   5.259
  279   2HB   HIS  33          3HB       HIS  33  -5.683 -12.691   6.288
  280    HD1  HIS  33           HD1      HIS  33  -4.640 -12.463   2.639
  281    HD2  HIS  33           HD2      HIS  33  -8.148 -12.624   4.942
  282    HE1  HIS  33           HE1      HIS  33  -6.573 -12.796   1.012
  283    HA   PRO  34           HA       PRO  34  -9.035  -8.965   6.997
  284   1HB   PRO  34          2HB       PRO  34 -10.740  -8.464   4.968
  285   2HB   PRO  34          3HB       PRO  34  -9.301  -7.445   5.229
  286   1HG   PRO  34          2HG       PRO  34  -9.527  -9.808   3.330
  287   2HG   PRO  34          3HG       PRO  34  -9.024  -8.149   2.927
  288   1HD   PRO  34          2HD       PRO  34  -7.206 -10.064   3.488
  289   2HD   PRO  34          3HD       PRO  34  -6.957  -8.406   4.099
  290    H    ASP  35           HN       ASP  35  -8.691 -11.426   7.574
  291    HA   ASP  35           HA       ASP  35 -10.758 -13.210   6.454
  292   1HB   ASP  35          2HB       ASP  35  -8.713 -13.495   8.678
  293   2HB   ASP  35          3HB       ASP  35 -10.015 -14.679   8.457
  294    H    ARG  36           HN       ARG  36 -11.176 -13.787   9.588
  295    HA   ARG  36           HA       ARG  36 -13.779 -12.462   9.668
  296   1HB   ARG  36          2HB       ARG  36 -13.922 -13.538  11.927
  297   2HB   ARG  36          3HB       ARG  36 -13.730 -14.645  10.578
  298   1HG   ARG  36          2HG       ARG  36 -11.867 -15.562  11.408
  299   2HG   ARG  36          3HG       ARG  36 -11.073 -13.994  11.603
  300   1HD   ARG  36          2HD       ARG  36 -11.259 -15.147  13.757
  301   2HD   ARG  36          3HD       ARG  36 -12.118 -13.589  13.725
  302    HE   ARG  36           HE       ARG  36 -13.982 -15.613  13.057
  303   1HH1  ARG  36          2HH2      ARG  36 -12.274 -14.152  15.875
  304   2HH1  ARG  36          1HH2      ARG  36 -13.462 -14.836  16.969
  305   1HH2  ARG  36          2HH1      ARG  36 -15.581 -16.003  14.543
  306   2HH2  ARG  36          1HH1      ARG  36 -15.259 -15.880  16.290
  307    H    ASN  37           HN       ASN  37 -12.387 -10.432   9.376
  308    HA   ASN  37           HA       ASN  37 -11.173  -9.332  11.817
  309   1HB   ASN  37          2HB       ASN  37 -10.038  -7.901  10.433
  310   2HB   ASN  37          3HB       ASN  37 -10.083  -9.380   9.496
  311   1HD2  ASN  37          2HD2      ASN  37 -12.337  -7.982   7.012
  312   2HD2  ASN  37          1HD2      ASN  37 -11.942  -9.527   7.746
  313    H    GLN  38           HN       GLN  38 -14.243  -9.403  10.737
  314    HA   GLN  38           HA       GLN  38 -15.093  -6.690  11.227
  315   1HB   GLN  38          2HB       GLN  38 -17.375  -7.819  11.587
  316   2HB   GLN  38          3HB       GLN  38 -16.605  -7.887  10.017
  317   1HG   GLN  38          2HG       GLN  38 -17.730  -9.905  10.474
  318   2HG   GLN  38          3HG       GLN  38 -16.013 -10.230  10.290
  319   1HE2  GLN  38          2HE2      GLN  38 -17.661 -12.067  13.268
  320   2HE2  GLN  38          1HE2      GLN  38 -18.252 -11.818  11.613
  321    H    GLY  39           HN       GLY  39 -16.886  -6.589  13.192
  322   1HA   GLY  39          1HA       GLY  39 -17.264  -6.688  15.493
  323   2HA   GLY  39          2HA       GLY  39 -15.732  -7.535  15.750
  324    H    ASP  40           HN       ASP  40 -13.863  -6.303  14.693
  325    HA   ASP  40           HA       ASP  40 -13.597  -4.001  16.256
  326   1HB   ASP  40          2HB       ASP  40 -11.782  -5.646  16.033
  327   2HB   ASP  40          3HB       ASP  40 -11.510  -5.141  14.359
  328    H    LYS  41           HN       LYS  41 -12.757  -4.460  12.869
  329    HA   LYS  41           HA       LYS  41 -13.351  -3.350  10.980
  330   1HB   LYS  41          2HB       LYS  41 -15.221  -2.237  12.139
  331   2HB   LYS  41          3HB       LYS  41 -14.181  -0.853  12.436
  332   1HG   LYS  41          2HG       LYS  41 -14.545  -2.069   9.634
  333   2HG   LYS  41          3HG       LYS  41 -15.783  -1.095  10.334
  334   1HD   LYS  41          2HD       LYS  41 -12.999  -0.214   9.484
  335   2HD   LYS  41          3HD       LYS  41 -14.541   0.303   8.868
  336   1HE   LYS  41          2HE       LYS  41 -13.381   0.981  11.611
  337   2HE   LYS  41          3HE       LYS  41 -13.526   2.046  10.220
  338   1HZ   LYS  41          1HZ       LYS  41 -15.959   0.864  11.410
  339   2HZ   LYS  41          2HZ       LYS  41 -15.289   2.222  11.986
  340   3HZ   LYS  41          3HZ       LYS  41 -15.801   2.185  10.443
  341    H    GLU  42           HN       GLU  42 -11.183  -2.085  13.545
  342    HA   GLU  42           HA       GLU  42  -9.803  -0.206  11.971
  343   1HB   GLU  42          2HB       GLU  42  -8.049  -0.275  13.416
  344   2HB   GLU  42          3HB       GLU  42  -9.406  -0.695  14.439
  345   1HG   GLU  42          2HG       GLU  42  -8.710  -3.027  14.502
  346   2HG   GLU  42          3HG       GLU  42  -7.535  -2.785  13.211
  347    H    ALA  43           HN       ALA  43  -9.494  -3.702  12.072
  348    HA   ALA  43           HA       ALA  43  -7.393  -4.130  10.457
  349   1HB   ALA  43          3HB       ALA  43  -9.998  -5.662  10.626
  350   2HB   ALA  43          1HB       ALA  43  -8.480  -6.312   9.934
  351   3HB   ALA  43          2HB       ALA  43  -8.581  -5.897  11.662
  352    H    GLU  44           HN       GLU  44 -10.726  -3.327   9.412
  353    HA   GLU  44           HA       GLU  44 -10.220  -3.844   6.621
  354   1HB   GLU  44          2HB       GLU  44 -12.559  -3.556   7.631
  355   2HB   GLU  44          3HB       GLU  44 -12.227  -1.816   7.686
  356   1HG   GLU  44          2HG       GLU  44 -11.626  -1.996   5.184
  357   2HG   GLU  44          3HG       GLU  44 -12.276  -3.637   5.234
  358    H    ALA  45           HN       ALA  45 -10.086  -0.872   8.697
  359    HA   ALA  45           HA       ALA  45  -9.388   0.804   6.585
  360   1HB   ALA  45          1HB       ALA  45 -10.320   1.602   8.723
  361   2HB   ALA  45          2HB       ALA  45  -8.848   1.112   9.580
  362   3HB   ALA  45          3HB       ALA  45  -8.781   2.426   8.386
  363    H    LYS  46           HN       LYS  46  -7.430  -1.097   8.816
  364    HA   LYS  46           HA       LYS  46  -4.863  -0.129   7.979
  365   1HB   LYS  46          2HB       LYS  46  -5.441  -1.552  10.032
  366   2HB   LYS  46          3HB       LYS  46  -5.564  -2.952   8.957
  367   1HG   LYS  46          2HG       LYS  46  -3.193  -2.501   8.239
  368   2HG   LYS  46          3HG       LYS  46  -3.084  -1.217   9.439
  369   1HD   LYS  46          2HD       LYS  46  -3.664  -4.167  10.075
  370   2HD   LYS  46          3HD       LYS  46  -2.075  -3.417  10.065
  371   1HE   LYS  46          2HE       LYS  46  -2.597  -3.479  12.312
  372   2HE   LYS  46          3HE       LYS  46  -2.877  -1.794  11.872
  373   1HZ   LYS  46          3HZ       LYS  46  -5.053  -3.815  12.126
  374   2HZ   LYS  46          1HZ       LYS  46  -4.573  -2.857  13.333
  375   3HZ   LYS  46          2HZ       LYS  46  -5.183  -2.148  12.020
  376    H    PHE  47           HN       PHE  47  -6.991  -2.830   6.822
  377    HA   PHE  47           HA       PHE  47  -5.246  -3.542   4.688
  378   1HB   PHE  47          2HB       PHE  47  -7.098  -4.968   5.527
  379   2HB   PHE  47          3HB       PHE  47  -8.252  -3.859   4.789
  380    HD1  PHE  47          2HD       PHE  47  -4.989  -5.405   3.601
  381    HD2  PHE  47          1HD       PHE  47  -9.262  -5.164   3.063
  382    HE1  PHE  47          2HE       PHE  47  -4.775  -6.567   1.456
  383    HE2  PHE  47          1HE       PHE  47  -9.042  -6.459   0.964
  384    HZ   PHE  47           HZ       PHE  47  -6.802  -7.120   0.129
  385    H    LYS  48           HN       LYS  48  -7.599  -0.935   5.013
  386    HA   LYS  48           HA       LYS  48  -7.677  -0.275   2.240
  387   1HB   LYS  48          2HB       LYS  48  -8.271   1.464   4.667
  388   2HB   LYS  48          3HB       LYS  48  -8.499   1.964   2.997
  389   1HG   LYS  48          2HG       LYS  48 -10.053   0.282   2.543
  390   2HG   LYS  48          3HG       LYS  48  -9.753  -0.572   4.052
  391   1HD   LYS  48          2HD       LYS  48 -11.313   0.654   5.162
  392   2HD   LYS  48          3HD       LYS  48 -10.520   2.157   4.684
  393   1HE   LYS  48          2HE       LYS  48 -12.853   2.104   3.915
  394   2HE   LYS  48          3HE       LYS  48 -11.709   2.204   2.564
  395   1HZ   LYS  48          1HZ       LYS  48 -13.049  -0.273   3.484
  396   2HZ   LYS  48          2HZ       LYS  48 -13.508   0.619   2.190
  397   3HZ   LYS  48          3HZ       LYS  48 -12.075  -0.157   2.168
  398    H    GLU  49           HN       GLU  49  -5.614   0.983   4.972
  399    HA   GLU  49           HA       GLU  49  -4.412   2.944   3.331
  400   1HB   GLU  49          2HB       GLU  49  -2.928   3.333   5.100
  401   2HB   GLU  49          3HB       GLU  49  -4.473   2.894   5.839
  402   1HG   GLU  49          2HG       GLU  49  -3.632   0.725   6.408
  403   2HG   GLU  49          3HG       GLU  49  -2.101   1.009   5.573
  404    H    ILE  50           HN       ILE  50  -3.474  -0.413   4.074
  405    HA   ILE  50           HA       ILE  50  -1.038  -0.433   2.586
  406    HB   ILE  50           HB       ILE  50  -2.973  -2.737   3.018
  407   1HG1  ILE  50          2HG1      ILE  50  -0.590  -2.109   4.781
  408   2HG1  ILE  50          3HG1      ILE  50  -2.140  -1.441   5.169
  409   1HG2  ILE  50          1HG2      ILE  50  -1.112  -3.139   1.342
  410   2HG2  ILE  50          2HG2      ILE  50   0.059  -2.751   2.612
  411   3HG2  ILE  50          3HG2      ILE  50  -0.981  -4.172   2.755
  412   1HD1  ILE  50          3HD1      ILE  50  -1.704  -4.424   4.786
  413   2HD1  ILE  50          1HD1      ILE  50  -1.879  -3.555   6.344
  414   3HD1  ILE  50          2HD1      ILE  50  -3.212  -3.654   5.206
  415    H    LYS  51           HN       LYS  51  -4.427  -1.361   1.693
  416    HA   LYS  51           HA       LYS  51  -3.794  -2.100  -0.957
  417   1HB   LYS  51          2HB       LYS  51  -5.850  -2.744   0.101
  418   2HB   LYS  51          3HB       LYS  51  -6.399  -1.062   0.217
  419   1HG   LYS  51          2HG       LYS  51  -6.518  -0.806  -2.168
  420   2HG   LYS  51          3HG       LYS  51  -5.716  -2.353  -2.469
  421   1HD   LYS  51          2HD       LYS  51  -8.434  -2.006  -1.132
  422   2HD   LYS  51          3HD       LYS  51  -8.181  -2.329  -2.856
  423   1HE   LYS  51          2HE       LYS  51  -7.027  -4.465  -2.342
  424   2HE   LYS  51          3HE       LYS  51  -7.291  -4.203  -0.608
  425   1HZ   LYS  51          1HZ       LYS  51  -9.635  -4.276  -0.993
  426   2HZ   LYS  51          2HZ       LYS  51  -9.398  -4.580  -2.625
  427   3HZ   LYS  51          3HZ       LYS  51  -8.875  -5.654  -1.540
  428    H    GLU  52           HN       GLU  52  -4.468   1.058   0.534
  429    HA   GLU  52           HA       GLU  52  -4.867   2.449  -1.901
  430   1HB   GLU  52          2HB       GLU  52  -5.599   3.220   0.321
  431   2HB   GLU  52          3HB       GLU  52  -3.922   3.585   0.747
  432   1HG   GLU  52          2HG       GLU  52  -3.811   5.270  -1.020
  433   2HG   GLU  52          3HG       GLU  52  -5.304   4.701  -1.751
  434    H    ALA  53           HN       ALA  53  -1.908   1.952   0.144
  435    HA   ALA  53           HA       ALA  53  -0.063   3.275  -1.603
  436   1HB   ALA  53          1HB       ALA  53   0.340   0.738   0.053
  437   2HB   ALA  53          2HB       ALA  53   1.616   1.633  -0.784
  438   3HB   ALA  53          3HB       ALA  53   0.727   2.400   0.535
  439    H    TYR  54           HN       TYR  54  -1.322  -0.070  -1.607
  440    HA   TYR  54           HA       TYR  54   0.037  -0.802  -4.014
  441   1HB   TYR  54          2HB       TYR  54  -0.714  -2.335  -2.156
  442   2HB   TYR  54          3HB       TYR  54  -2.366  -2.155  -2.751
  443    HD1  TYR  54           HD1      TYR  54   1.072  -2.967  -4.009
  444    HD2  TYR  54           HD2      TYR  54  -3.142  -3.804  -4.286
  445    HE1  TYR  54           HE1      TYR  54   1.531  -4.748  -5.658
  446    HE2  TYR  54           HE2      TYR  54  -2.661  -5.697  -5.797
  447    HH   TYR  54           HH       TYR  54  -0.973  -7.023  -6.662
  448    H    GLU  55           HN       GLU  55  -2.733   1.206  -3.730
  449    HA   GLU  55           HA       GLU  55  -3.732   0.535  -6.427
  450   1HB   GLU  55          2HB       GLU  55  -5.585   1.018  -5.317
  451   2HB   GLU  55          3HB       GLU  55  -4.765   1.739  -3.951
  452   1HG   GLU  55          2HG       GLU  55  -4.618   3.896  -5.044
  453   2HG   GLU  55          3HG       GLU  55  -5.294   3.190  -6.522
  454    H    VAL  56           HN       VAL  56  -2.436   3.224  -4.496
  455    HA   VAL  56           HA       VAL  56  -2.256   5.054  -6.594
  456    HB   VAL  56           HB       VAL  56  -0.850   4.856  -3.895
  457   1HG1  VAL  56          2HG1      VAL  56  -0.533   6.972  -6.037
  458   2HG1  VAL  56          3HG1      VAL  56  -0.256   7.310  -4.310
  459   3HG1  VAL  56          1HG1      VAL  56   0.730   6.117  -5.145
  460   1HG2  VAL  56          3HG2      VAL  56  -3.116   6.563  -5.009
  461   2HG2  VAL  56          1HG2      VAL  56  -3.239   5.309  -3.772
  462   3HG2  VAL  56          2HG2      VAL  56  -2.373   6.804  -3.416
  463    H    LEU  57           HN       LEU  57   0.374   3.176  -5.002
  464    HA   LEU  57           HA       LEU  57   2.332   4.216  -6.808
  465   1HB   LEU  57          2HB       LEU  57   2.446   1.898  -4.872
  466   2HB   LEU  57          3HB       LEU  57   3.847   2.561  -5.719
  467    HG   LEU  57           HG       LEU  57   2.036   4.252  -3.910
  468   1HD1  LEU  57          2HD1      LEU  57   4.682   2.916  -3.323
  469   2HD1  LEU  57          3HD1      LEU  57   3.830   4.048  -2.249
  470   3HD1  LEU  57          1HD1      LEU  57   3.090   2.486  -2.629
  471   1HD2  LEU  57          3HD2      LEU  57   4.762   4.741  -5.204
  472   2HD2  LEU  57          1HD2      LEU  57   3.270   5.665  -5.487
  473   3HD2  LEU  57          2HD2      LEU  57   4.071   5.757  -3.921
  474    H    THR  58           HN       THR  58   0.053   1.752  -7.320
  475    HA   THR  58           HA       THR  58   1.735   0.329  -9.288
  476    HB   THR  58           HB       THR  58  -0.091  -1.238  -9.390
  477    HG1  THR  58          1HG       THR  58  -1.425   0.695  -7.809
  478   1HG2  THR  58          2HG2      THR  58   1.597  -1.453  -7.561
  479   2HG2  THR  58          3HG2      THR  58   0.565  -0.505  -6.484
  480   3HG2  THR  58          1HG2      THR  58   0.014  -2.075  -7.086
  481    H    ASP  59           HN       ASP  59   1.439   2.959  -9.781
  482    HA   ASP  59           HA       ASP  59   0.879   4.576 -11.252
  483   1HB   ASP  59          2HB       ASP  59   1.546   3.315 -13.094
  484   2HB   ASP  59          3HB       ASP  59   0.181   2.199 -12.977
  485    H    SER  60           HN       SER  60  -0.681   6.007 -10.807
  486    HA   SER  60           HA       SER  60  -3.408   5.479 -11.484
  487   1HB   SER  60          2HB       SER  60  -2.656   6.013  -8.575
  488   2HB   SER  60          3HB       SER  60  -4.293   6.157  -9.229
  489    HG   SER  60           HG       SER  60  -2.725   3.811  -8.939
  490    H    GLN  61           HN       GLN  61  -3.012   8.011  -9.170
  491    HA   GLN  61           HA       GLN  61  -2.400  10.078 -11.220
  492   1HB   GLN  61          2HB       GLN  61  -4.798   9.894 -10.815
  493   2HB   GLN  61          3HB       GLN  61  -4.589   9.902  -9.060
  494   1HG   GLN  61          2HG       GLN  61  -3.729  12.145  -9.030
  495   2HG   GLN  61          3HG       GLN  61  -3.605  12.124 -10.804
  496   1HE2  GLN  61          2HE2      GLN  61  -7.278  12.795  -9.003
  497   2HE2  GLN  61          1HE2      GLN  61  -5.902  12.225  -8.087
  498    H    LYS  62           HN       LYS  62  -2.996   9.517  -7.789
  499    HA   LYS  62           HA       LYS  62  -1.372  11.343  -6.501
  500   1HB   LYS  62          2HB       LYS  62  -2.133   8.455  -5.929
  501   2HB   LYS  62          3HB       LYS  62  -1.326   9.478  -4.734
  502   1HG   LYS  62          2HG       LYS  62  -3.245  10.587  -4.246
  503   2HG   LYS  62          3HG       LYS  62  -3.578  10.879  -5.937
  504   1HD   LYS  62          2HD       LYS  62  -4.459   8.384  -5.971
  505   2HD   LYS  62          3HD       LYS  62  -4.506   8.598  -4.206
  506   1HE   LYS  62          2HE       LYS  62  -5.869  10.757  -4.652
  507   2HE   LYS  62          3HE       LYS  62  -5.915  10.276  -6.353
  508   1HZ   LYS  62          3HZ       LYS  62  -6.978   8.174  -5.523
  509   2HZ   LYS  62          1HZ       LYS  62  -7.199   8.959  -4.075
  510   3HZ   LYS  62          2HZ       LYS  62  -7.891   9.506  -5.462
  511    H    ARG  63           HN       ARG  63  -0.512   8.370  -8.117
  512    HA   ARG  63           HA       ARG  63   2.282   8.146  -7.541
  513   1HB   ARG  63          2HB       ARG  63   0.398   6.573  -8.507
  514   2HB   ARG  63          3HB       ARG  63   0.923   7.160 -10.067
  515   1HG   ARG  63          2HG       ARG  63   2.867   5.960  -8.037
  516   2HG   ARG  63          3HG       ARG  63   1.853   4.954  -9.081
  517   1HD   ARG  63          2HD       ARG  63   2.847   6.355 -11.043
  518   2HD   ARG  63          3HD       ARG  63   4.131   6.728  -9.897
  519    HE   ARG  63           HE       ARG  63   3.811   4.374 -11.409
  520   1HH1  ARG  63          2HH2      ARG  63   5.172   5.608  -8.385
  521   2HH1  ARG  63          1HH2      ARG  63   6.251   4.246  -8.254
  522   1HH2  ARG  63          2HH1      ARG  63   5.078   2.405 -10.960
  523   2HH2  ARG  63          1HH1      ARG  63   6.264   2.608  -9.690
  524    H    ALA  64           HN       ALA  64   1.613  10.926  -8.396
  525    HA   ALA  64           HA       ALA  64   3.695  11.383 -10.271
  526   1HB   ALA  64          1HB       ALA  64   0.841  11.725 -11.317
  527   2HB   ALA  64          2HB       ALA  64   2.309  12.330 -12.107
  528   3HB   ALA  64          3HB       ALA  64   2.036  10.584 -11.955
  529    H    ALA  65           HN       ALA  65   0.503  12.607  -9.107
  530    HA   ALA  65           HA       ALA  65   1.218  15.270  -8.780
  531   1HB   ALA  65          1HB       ALA  65  -1.087  14.485  -8.499
  532   2HB   ALA  65          2HB       ALA  65  -0.628  13.579  -7.039
  533   3HB   ALA  65          3HB       ALA  65  -0.551  15.346  -7.047
  534    H    TYR  66           HN       TYR  66   1.451  12.550  -6.421
  535    HA   TYR  66           HA       TYR  66   2.682  14.065  -4.374
  536   1HB   TYR  66          2HB       TYR  66   1.536  11.892  -4.091
  537   2HB   TYR  66          3HB       TYR  66   2.844  11.075  -4.951
  538    HD1  TYR  66           HD2      TYR  66   2.141  13.174  -1.917
  539    HD2  TYR  66           HD1      TYR  66   4.738  10.266  -3.770
  540    HE1  TYR  66           HE2      TYR  66   3.492  13.059   0.152
  541    HE2  TYR  66           HE1      TYR  66   6.032  10.092  -1.668
  542    HH   TYR  66           HH       TYR  66   5.516  12.316   1.044
  543    H    ASP  67           HN       ASP  67   4.108  12.139  -7.122
  544    HA   ASP  67           HA       ASP  67   6.802  12.269  -6.342
  545   1HB   ASP  67          2HB       ASP  67   5.254  12.170  -8.956
  546   2HB   ASP  67          3HB       ASP  67   6.987  12.256  -8.908
  547    H    GLN  68           HN       GLN  68   4.657  14.550  -8.087
  548    HA   GLN  68           HA       GLN  68   6.779  16.357  -8.783
  549   1HB   GLN  68          2HB       GLN  68   4.056  15.946  -9.504
  550   2HB   GLN  68          3HB       GLN  68   4.093  17.546  -8.843
  551   1HG   GLN  68          2HG       GLN  68   6.191  16.736 -10.883
  552   2HG   GLN  68          3HG       GLN  68   4.516  17.022 -11.363
  553   1HE2  GLN  68          2HE2      GLN  68   4.901  20.453 -11.609
  554   2HE2  GLN  68          1HE2      GLN  68   4.226  18.948 -12.201
  555    H    TYR  69           HN       TYR  69   3.970  16.779  -6.622
  556    HA   TYR  69           HA       TYR  69   5.538  18.631  -4.890
  557   1HB   TYR  69          2HB       TYR  69   3.161  19.853  -4.895
  558   2HB   TYR  69          3HB       TYR  69   4.468  20.214  -6.002
  559    HD1  TYR  69           HD1      TYR  69   1.476  17.889  -5.852
  560    HD2  TYR  69           HD2      TYR  69   3.890  20.587  -8.195
  561    HE1  TYR  69           HE1      TYR  69  -0.020  17.567  -7.799
  562    HE2  TYR  69           HE2      TYR  69   2.486  20.148 -10.166
  563    HH   TYR  69           HH       TYR  69  -0.564  18.472  -9.898
  564    H    GLY  70           HN       GLY  70   5.138  15.878  -4.420
  565   1HA   GLY  70          1HA       GLY  70   3.237  15.401  -2.365
  566   2HA   GLY  70          2HA       GLY  70   4.877  14.729  -2.444
  567    H    HIS  71           HN       HIS  71   3.163  16.119  -0.296
  568    HA   HIS  71           HA       HIS  71   3.318  17.624   1.333
  569   1HB   HIS  71          2HB       HIS  71   5.329  17.653   2.626
  570   2HB   HIS  71          3HB       HIS  71   4.984  16.021   2.065
  571    HD1  HIS  71           HD1      HIS  71   7.439  18.928   1.441
  572    HD2  HIS  71           HD2      HIS  71   6.900  14.846   0.560
  573    HE1  HIS  71           HE1      HIS  71   9.676  18.055   0.527
  574    H    ALA  72           HN       ALA  72   3.332  18.806  -1.291
  575    HA   ALA  72           HA       ALA  72   4.122  21.501  -0.471
  576   1HB   ALA  72          2HB       ALA  72   5.336  20.136  -2.927
  577   2HB   ALA  72          3HB       ALA  72   5.490  21.857  -2.524
  578   3HB   ALA  72          1HB       ALA  72   6.228  20.631  -1.475
  579    H    ALA  73           HN       ALA  73   1.584  20.424  -0.742
  580    HA   ALA  73           HA       ALA  73   0.572  21.886  -3.112
  581   1HB   ALA  73          1HB       ALA  73   1.039  19.587  -3.994
  582   2HB   ALA  73          2HB       ALA  73  -0.028  18.927  -2.741
  583   3HB   ALA  73          3HB       ALA  73  -0.678  19.995  -3.997
  584    H    PHE  74           HN       PHE  74  -0.319  19.616  -0.529
  585    HA   PHE  74           HA       PHE  74  -2.804  21.119   0.117
  586   1HB   PHE  74          2HB       PHE  74  -3.022  18.751   0.046
  587   2HB   PHE  74          3HB       PHE  74  -1.530  18.503   0.934
  588    HD1  PHE  74          1HD       PHE  74  -4.801  20.319   1.495
  589    HD2  PHE  74          2HD       PHE  74  -1.717  17.763   3.122
  590    HE1  PHE  74          1HE       PHE  74  -6.120  20.033   3.566
  591    HE2  PHE  74          2HE       PHE  74  -3.036  17.481   5.175
  592    HZ   PHE  74           HZ       PHE  74  -5.258  18.628   5.415
  593    H    GLU  75           HN       GLU  75  -1.302  23.011   0.492
  594    HA   GLU  75           HA       GLU  75  -0.443  23.151   3.259
  595   1HB   GLU  75          2HB       GLU  75   1.532  22.573   1.215
  596   2HB   GLU  75          3HB       GLU  75   1.861  24.175   1.846
  597   1HG   GLU  75          2HG       GLU  75   1.355  21.803   3.702
  598   2HG   GLU  75          3HG       GLU  75   2.947  22.204   3.075
  599    H    GLN  76           HN       GLN  76  -2.398  24.414   1.455
  600    HA   GLN  76           HA       GLN  76  -1.588  26.829   0.451
  601   1HB   GLN  76          2HB       GLN  76  -4.208  27.229   0.918
  602   2HB   GLN  76          3HB       GLN  76  -3.613  26.331  -0.467
  603   1HG   GLN  76          2HG       GLN  76  -4.503  25.037   2.158
  604   2HG   GLN  76          3HG       GLN  76  -5.580  25.413   0.819
  605   1HE2  GLN  76          2HE2      GLN  76  -5.002  22.139  -0.336
  606   2HE2  GLN  76          1HE2      GLN  76  -6.064  23.036   0.748
   
  No H/Q in entry =         606
  Start of MODEL    5
    1   1H    ALA   2          2HN       ALA   2  10.080  14.303   4.291
    2   2H    ALA   2          3HN       ALA   2   8.815  15.172   3.760
    3   3H    ALA   2          1HN       ALA   2   9.983  15.938   4.612
    4    HA   ALA   2           HA       ALA   2   9.443  14.714   6.597
    5   1HB   ALA   2          1HB       ALA   2   7.139  16.211   5.264
    6   2HB   ALA   2          2HB       ALA   2   7.195  15.788   6.986
    7   3HB   ALA   2          3HB       ALA   2   8.410  16.881   6.310
    8    H    LYS   3           HN       LYS   3   9.642  12.430   5.565
    9    HA   LYS   3           HA       LYS   3   8.888  10.396   5.256
   10   1HB   LYS   3          2HB       LYS   3   6.252  11.156   6.560
   11   2HB   LYS   3          3HB       LYS   3   6.895   9.542   6.254
   12   1HG   LYS   3          2HG       LYS   3   8.992  10.430   7.622
   13   2HG   LYS   3          3HG       LYS   3   7.832  11.585   8.277
   14   1HD   LYS   3          2HD       LYS   3   7.696   8.521   8.312
   15   2HD   LYS   3          3HD       LYS   3   8.043   9.547   9.695
   16   1HE   LYS   3          2HE       LYS   3   5.377   9.418   8.180
   17   2HE   LYS   3          3HE       LYS   3   5.733   8.666   9.729
   18   1HZ   LYS   3          1HZ       LYS   3   6.048  10.821  10.710
   19   2HZ   LYS   3          2HZ       LYS   3   5.637  11.570   9.284
   20   3HZ   LYS   3          3HZ       LYS   3   4.554  10.635  10.037
   21    H    GLN   4           HN       GLN   4   7.787   8.997   3.819
   22    HA   GLN   4           HA       GLN   4   6.388  10.397   1.592
   23   1HB   GLN   4          2HB       GLN   4   8.617   8.525   1.830
   24   2HB   GLN   4          3HB       GLN   4   7.378   7.978   0.729
   25   1HG   GLN   4          2HG       GLN   4   8.885   9.154  -0.631
   26   2HG   GLN   4          3HG       GLN   4   7.511  10.230  -0.442
   27   1HE2  GLN   4          2HE2      GLN   4   9.546  12.419   1.828
   28   2HE2  GLN   4          1HE2      GLN   4   7.929  11.754   1.788
   29    H    ASP   5           HN       ASP   5   4.461  10.184   2.180
   30    HA   ASP   5           HA       ASP   5   3.088   8.027   3.426
   31   1HB   ASP   5          2HB       ASP   5   2.102  10.297   3.090
   32   2HB   ASP   5          3HB       ASP   5   1.989   9.962   1.335
   33    H    TYR   6           HN       TYR   6   1.692   6.512   2.438
   34    HA   TYR   6           HA       TYR   6   1.108   4.765   1.166
   35   1HB   TYR   6          2HB       TYR   6   2.652   5.848  -1.210
   36   2HB   TYR   6          3HB       TYR   6   1.268   4.783  -1.211
   37    HD1  TYR   6           HD1      TYR   6  -0.905   5.885   0.098
   38    HD2  TYR   6           HD2      TYR   6   2.274   8.085  -1.824
   39    HE1  TYR   6           HE1      TYR   6  -2.427   7.794  -0.246
   40    HE2  TYR   6           HE2      TYR   6   0.798  10.050  -2.013
   41    HH   TYR   6           HH       TYR   6  -1.293  10.899  -1.615
   42    H    TYR   7           HN       TYR   7   4.390   5.790   0.518
   43    HA   TYR   7           HA       TYR   7   5.380   3.077   0.071
   44   1HB   TYR   7          2HB       TYR   7   6.830   5.712   0.402
   45   2HB   TYR   7          3HB       TYR   7   7.608   4.182  -0.013
   46    HD1  TYR   7           HD2      TYR   7   6.473   2.866  -2.061
   47    HD2  TYR   7           HD1      TYR   7   6.301   7.132  -1.432
   48    HE1  TYR   7           HE2      TYR   7   6.398   3.226  -4.507
   49    HE2  TYR   7           HE1      TYR   7   6.297   7.486  -3.881
   50    HH   TYR   7           HH       TYR   7   6.793   6.452  -5.910
   51    H    GLU   8           HN       GLU   8   5.347   5.331   2.873
   52    HA   GLU   8           HA       GLU   8   6.857   3.565   4.557
   53   1HB   GLU   8          2HB       GLU   8   5.689   6.163   4.717
   54   2HB   GLU   8          3HB       GLU   8   4.805   5.215   5.894
   55   1HG   GLU   8          2HG       GLU   8   7.855   5.396   5.719
   56   2HG   GLU   8          3HG       GLU   8   6.835   6.447   6.705
   57    H    ILE   9           HN       ILE   9   3.423   4.073   3.832
   58    HA   ILE   9           HA       ILE   9   2.348   2.360   5.720
   59    HB   ILE   9           HB       ILE   9   1.279   3.131   2.984
   60   1HG1  ILE   9          2HG1      ILE   9   0.749   4.176   5.812
   61   2HG1  ILE   9          3HG1      ILE   9   1.752   4.993   4.609
   62   1HG2  ILE   9          1HG2      ILE   9   0.193   1.055   3.797
   63   2HG2  ILE   9          2HG2      ILE   9  -0.175   1.871   5.330
   64   3HG2  ILE   9          3HG2      ILE   9  -0.913   2.419   3.807
   65   1HD1  ILE   9          1HD1      ILE   9  -0.200   5.214   3.113
   66   2HD1  ILE   9          2HD1      ILE   9  -1.232   4.506   4.383
   67   3HD1  ILE   9          3HD1      ILE   9  -0.392   6.026   4.685
   68    H    LEU  10           HN       LEU  10   3.226   1.551   2.302
   69    HA   LEU  10           HA       LEU  10   2.921  -1.292   2.772
   70   1HB   LEU  10          2HB       LEU  10   4.224   0.354   0.592
   71   2HB   LEU  10          3HB       LEU  10   4.541  -1.370   0.740
   72    HG   LEU  10           HG       LEU  10   1.958  -1.706   0.827
   73   1HD1  LEU  10          3HD1      LEU  10   2.135   1.069  -0.377
   74   2HD1  LEU  10          1HD1      LEU  10   0.709   0.008  -0.399
   75   3HD1  LEU  10          2HD1      LEU  10   1.321   0.626   1.150
   76   1HD2  LEU  10          1HD2      LEU  10   3.399  -2.339  -1.103
   77   2HD2  LEU  10          2HD2      LEU  10   1.805  -1.736  -1.600
   78   3HD2  LEU  10          3HD2      LEU  10   3.219  -0.671  -1.710
   79    H    GLY  11           HN       GLY  11   5.824   0.893   2.779
   80   1HA   GLY  11          1HA       GLY  11   7.468   0.849   4.446
   81   2HA   GLY  11          2HA       GLY  11   6.874  -0.718   5.039
   82    H    VAL  12           HN       VAL  12   7.943   0.775   2.005
   83    HA   VAL  12           HA       VAL  12   9.552  -1.639   1.308
   84    HB   VAL  12           HB       VAL  12   7.580  -1.669  -0.006
   85   1HG1  VAL  12          3HG1      VAL  12   8.070   1.250  -0.606
   86   2HG1  VAL  12          1HG1      VAL  12   7.033   0.202  -1.575
   87   3HG1  VAL  12          2HG1      VAL  12   6.623   0.482   0.124
   88   1HG2  VAL  12          2HG2      VAL  12   9.749  -2.096  -1.107
   89   2HG2  VAL  12          3HG2      VAL  12   8.423  -1.613  -2.195
   90   3HG2  VAL  12          1HG2      VAL  12   9.683  -0.428  -1.757
   91    H    SER  13           HN       SER  13  11.404  -1.095  -0.076
   92    HA   SER  13           HA       SER  13  12.835   0.990   1.296
   93   1HB   SER  13          2HB       SER  13  13.370  -1.377  -0.357
   94   2HB   SER  13          3HB       SER  13  14.253  -0.003  -0.973
   95    HG   SER  13           HG       SER  13  14.156  -0.806   1.785
   96    H    LYS  14           HN       LYS  14  13.254   3.048   0.602
   97    HA   LYS  14           HA       LYS  14  12.710   4.973  -0.338
   98   1HB   LYS  14          2HB       LYS  14  13.683   3.407  -2.764
   99   2HB   LYS  14          3HB       LYS  14  13.304   5.155  -2.778
  100   1HG   LYS  14          2HG       LYS  14  15.014   5.596  -1.123
  101   2HG   LYS  14          3HG       LYS  14  15.365   3.886  -0.959
  102   1HD   LYS  14          2HD       LYS  14  16.908   5.336  -2.479
  103   2HD   LYS  14          3HD       LYS  14  16.431   3.724  -2.980
  104   1HE   LYS  14          2HE       LYS  14  16.341   5.233  -4.864
  105   2HE   LYS  14          3HE       LYS  14  14.728   4.650  -4.510
  106   1HZ   LYS  14          2HZ       LYS  14  14.518   6.895  -3.231
  107   2HZ   LYS  14          3HZ       LYS  14  15.823   7.346  -4.147
  108   3HZ   LYS  14          1HZ       LYS  14  14.483   6.845  -4.891
  109    H    THR  15           HN       THR  15  11.811   3.808  -3.434
  110    HA   THR  15           HA       THR  15   8.946   4.368  -2.981
  111    HB   THR  15           HB       THR  15   9.365   6.221  -4.746
  112    HG1  THR  15          1HG       THR  15  11.382   6.622  -5.239
  113   1HG2  THR  15          2HG2      THR  15   9.038   6.584  -2.202
  114   2HG2  THR  15          3HG2      THR  15  10.797   6.747  -2.108
  115   3HG2  THR  15          1HG2      THR  15   9.863   7.872  -3.100
  116    H    ALA  16           HN       ALA  16   9.859   1.965  -3.506
  117    HA   ALA  16           HA       ALA  16  10.864   1.374  -5.992
  118   1HB   ALA  16          3HB       ALA  16  10.912  -0.075  -3.965
  119   2HB   ALA  16          1HB       ALA  16   9.193  -0.442  -4.215
  120   3HB   ALA  16          2HB       ALA  16  10.392  -0.936  -5.421
  121    H    GLU  17           HN       GLU  17  10.040   0.026  -7.723
  122    HA   GLU  17           HA       GLU  17   7.575   0.708  -8.952
  123   1HB   GLU  17          2HB       GLU  17   9.783   0.011  -9.990
  124   2HB   GLU  17          3HB       GLU  17   9.562  -1.607  -9.292
  125   1HG   GLU  17          2HG       GLU  17   7.524  -1.861 -10.670
  126   2HG   GLU  17          3HG       GLU  17   7.827  -0.242 -11.344
  127    H    GLU  18           HN       GLU  18   5.976  -0.887  -9.436
  128    HA   GLU  18           HA       GLU  18   4.663  -2.050  -7.503
  129   1HB   GLU  18          2HB       GLU  18   4.566  -3.313 -10.193
  130   2HB   GLU  18          3HB       GLU  18   3.323  -3.187  -8.939
  131   1HG   GLU  18          2HG       GLU  18   4.331  -1.160 -10.852
  132   2HG   GLU  18          3HG       GLU  18   2.675  -1.520 -10.320
  133    H    ARG  19           HN       ARG  19   7.407  -3.445  -9.232
  134    HA   ARG  19           HA       ARG  19   6.994  -6.127  -8.654
  135   1HB   ARG  19          2HB       ARG  19   8.876  -4.816 -10.115
  136   2HB   ARG  19          3HB       ARG  19   9.858  -5.090  -8.684
  137   1HG   ARG  19          2HG       ARG  19  10.184  -6.891 -10.317
  138   2HG   ARG  19          3HG       ARG  19   9.422  -7.553  -8.878
  139   1HD   ARG  19          2HD       ARG  19   7.350  -7.794  -9.843
  140   2HD   ARG  19          3HD       ARG  19   7.584  -6.491 -11.014
  141    HE   ARG  19           HE       ARG  19   7.718  -9.183 -11.465
  142   1HH1  ARG  19          2HH2      ARG  19   9.797  -6.364 -12.295
  143   2HH1  ARG  19          1HH2      ARG  19  10.142  -6.980 -13.878
  144   1HH2  ARG  19          2HH1      ARG  19   8.361 -10.014 -13.488
  145   2HH2  ARG  19          1HH1      ARG  19   9.619  -9.225 -14.393
  146    H    GLU  20           HN       GLU  20   8.954  -3.767  -6.740
  147    HA   GLU  20           HA       GLU  20   9.327  -5.897  -4.769
  148   1HB   GLU  20          2HB       GLU  20  11.123  -4.286  -5.201
  149   2HB   GLU  20          3HB       GLU  20  10.132  -2.968  -4.555
  150   1HG   GLU  20          2HG       GLU  20  10.050  -3.979  -2.363
  151   2HG   GLU  20          3HG       GLU  20  10.732  -5.480  -3.008
  152    H    ILE  21           HN       ILE  21   7.228  -3.117  -5.397
  153    HA   ILE  21           HA       ILE  21   6.012  -2.747  -2.874
  154    HB   ILE  21           HB       ILE  21   5.213  -2.687  -5.728
  155   1HG1  ILE  21          2HG1      ILE  21   6.747  -0.920  -4.773
  156   2HG1  ILE  21          3HG1      ILE  21   5.330  -0.316  -5.659
  157   1HG2  ILE  21          2HG2      ILE  21   3.219  -2.059  -3.592
  158   2HG2  ILE  21          3HG2      ILE  21   3.109  -1.448  -5.261
  159   3HG2  ILE  21          1HG2      ILE  21   3.082  -3.184  -4.952
  160   1HD1  ILE  21          3HD1      ILE  21   5.415  -0.674  -2.642
  161   2HD1  ILE  21          1HD1      ILE  21   5.752   0.854  -3.501
  162   3HD1  ILE  21          2HD1      ILE  21   4.157   0.070  -3.611
  163    H    ARG  22           HN       ARG  22   5.340  -5.146  -5.447
  164    HA   ARG  22           HA       ARG  22   3.124  -6.339  -4.293
  165   1HB   ARG  22          2HB       ARG  22   4.815  -6.948  -6.502
  166   2HB   ARG  22          3HB       ARG  22   4.956  -8.349  -5.450
  167   1HG   ARG  22          2HG       ARG  22   3.115  -8.802  -6.803
  168   2HG   ARG  22          3HG       ARG  22   2.389  -8.295  -5.263
  169   1HD   ARG  22          2HD       ARG  22   2.585  -5.885  -6.575
  170   2HD   ARG  22          3HD       ARG  22   2.506  -6.940  -7.975
  171    HE   ARG  22           HE       ARG  22   0.360  -5.951  -6.772
  172   1HH1  ARG  22          2HH2      ARG  22   1.224  -9.480  -6.777
  173   2HH1  ARG  22          1HH2      ARG  22  -0.446  -9.860  -7.081
  174   1HH2  ARG  22          2HH1      ARG  22  -1.685  -6.624  -7.088
  175   2HH2  ARG  22          1HH1      ARG  22  -2.049  -8.316  -7.323
  176    H    LYS  23           HN       LYS  23   6.602  -6.919  -3.559
  177    HA   LYS  23           HA       LYS  23   6.070  -9.003  -1.784
  178   1HB   LYS  23          2HB       LYS  23   8.462  -7.347  -2.419
  179   2HB   LYS  23          3HB       LYS  23   8.379  -7.939  -0.758
  180   1HG   LYS  23          2HG       LYS  23   9.598  -9.492  -2.041
  181   2HG   LYS  23          3HG       LYS  23   8.094 -10.255  -1.556
  182   1HD   LYS  23          2HD       LYS  23   7.134 -10.062  -3.720
  183   2HD   LYS  23          3HD       LYS  23   8.304  -8.867  -4.267
  184   1HE   LYS  23          2HE       LYS  23   9.155 -11.698  -3.484
  185   2HE   LYS  23          3HE       LYS  23   8.646 -11.287  -5.126
  186   1HZ   LYS  23          2HZ       LYS  23  10.852  -9.856  -3.777
  187   2HZ   LYS  23          3HZ       LYS  23  11.058 -11.154  -4.784
  188   3HZ   LYS  23          1HZ       LYS  23  10.384  -9.735  -5.313
  189    H    ALA  24           HN       ALA  24   6.586  -5.389  -1.157
  190    HA   ALA  24           HA       ALA  24   6.254  -5.668   1.626
  191   1HB   ALA  24          3HB       ALA  24   5.525  -3.382  -0.246
  192   2HB   ALA  24          1HB       ALA  24   5.546  -3.275   1.530
  193   3HB   ALA  24          2HB       ALA  24   7.046  -3.649   0.655
  194    H    TYR  25           HN       TYR  25   3.811  -5.245  -0.905
  195    HA   TYR  25           HA       TYR  25   1.534  -5.111   0.724
  196   1HB   TYR  25          2HB       TYR  25   1.791  -4.664  -1.794
  197   2HB   TYR  25          3HB       TYR  25   1.712  -6.403  -2.045
  198    HD1  TYR  25           HD1      TYR  25  -0.096  -3.523  -0.509
  199    HD2  TYR  25           HD2      TYR  25  -0.468  -7.289  -2.537
  200    HE1  TYR  25           HE1      TYR  25  -2.556  -3.460  -0.155
  201    HE2  TYR  25           HE2      TYR  25  -2.930  -7.125  -2.382
  202    HH   TYR  25           HH       TYR  25  -4.507  -4.594  -0.392
  203    H    LYS  26           HN       LYS  26   3.031  -8.051  -0.789
  204    HA   LYS  26           HA       LYS  26   1.197  -9.800   0.359
  205   1HB   LYS  26          2HB       LYS  26   2.304 -11.501  -0.590
  206   2HB   LYS  26          3HB       LYS  26   2.921 -10.185  -1.590
  207   1HG   LYS  26          2HG       LYS  26   5.003 -10.183  -0.291
  208   2HG   LYS  26          3HG       LYS  26   4.406 -11.424   0.780
  209   1HD   LYS  26          2HD       LYS  26   4.846 -11.740  -2.224
  210   2HD   LYS  26          3HD       LYS  26   5.962 -12.282  -0.969
  211   1HE   LYS  26          2HE       LYS  26   3.166 -13.369  -1.538
  212   2HE   LYS  26          3HE       LYS  26   4.712 -14.181  -1.752
  213   1HZ   LYS  26          1HZ       LYS  26   4.638 -13.514   0.925
  214   2HZ   LYS  26          2HZ       LYS  26   3.113 -14.028   0.568
  215   3HZ   LYS  26          3HZ       LYS  26   4.423 -14.977   0.263
  216    H    ARG  27           HN       ARG  27   4.210  -8.464   1.625
  217    HA   ARG  27           HA       ARG  27   4.488 -10.261   3.837
  218   1HB   ARG  27          2HB       ARG  27   5.455  -7.408   3.440
  219   2HB   ARG  27          3HB       ARG  27   5.901  -8.434   4.809
  220   1HG   ARG  27          2HG       ARG  27   6.907 -10.095   3.339
  221   2HG   ARG  27          3HG       ARG  27   6.379  -9.256   1.907
  222   1HD   ARG  27          2HD       ARG  27   8.502  -8.351   1.975
  223   2HD   ARG  27          3HD       ARG  27   7.718  -7.208   3.027
  224    HE   ARG  27           HE       ARG  27   8.826  -8.050   4.865
  225   1HH1  ARG  27          2HH2      ARG  27   9.209 -10.238   2.129
  226   2HH1  ARG  27          1HH2      ARG  27  10.553 -11.119   2.782
  227   1HH2  ARG  27          2HH1      ARG  27  10.344  -9.446   5.933
  228   2HH2  ARG  27          1HH1      ARG  27  11.391 -10.450   4.950
  229    H    LEU  28           HN       LEU  28   3.140  -6.889   3.635
  230    HA   LEU  28           HA       LEU  28   1.997  -6.927   6.269
  231   1HB   LEU  28          2HB       LEU  28   1.429  -5.423   3.702
  232   2HB   LEU  28          3HB       LEU  28   0.407  -5.261   5.145
  233    HG   LEU  28           HG       LEU  28   3.340  -4.888   5.557
  234   1HD1  LEU  28          3HD1      LEU  28   1.442  -2.836   4.347
  235   2HD1  LEU  28          1HD1      LEU  28   3.046  -2.494   5.003
  236   3HD1  LEU  28          2HD1      LEU  28   2.881  -3.534   3.565
  237   1HD2  LEU  28          1HD2      LEU  28   1.656  -4.845   7.447
  238   2HD2  LEU  28          2HD2      LEU  28   2.463  -3.277   7.223
  239   3HD2  LEU  28          3HD2      LEU  28   0.814  -3.515   6.626
  240    H    ALA  29           HN       ALA  29   0.768  -8.250   3.175
  241    HA   ALA  29           HA       ALA  29  -1.868  -8.669   3.980
  242   1HB   ALA  29          2HB       ALA  29  -0.931  -9.189   1.679
  243   2HB   ALA  29          3HB       ALA  29  -0.237 -10.678   2.366
  244   3HB   ALA  29          1HB       ALA  29  -1.985 -10.449   2.360
  245    H    MET  30           HN       MET  30   1.003 -10.413   5.042
  246    HA   MET  30           HA       MET  30  -0.218 -12.689   6.130
  247   1HB   MET  30          2HB       MET  30   1.683 -13.014   7.380
  248   2HB   MET  30          3HB       MET  30   2.270 -12.007   6.068
  249   1HG   MET  30          2HG       MET  30   2.062 -10.006   7.625
  250   2HG   MET  30          3HG       MET  30   1.611 -11.143   8.892
  251   1HE   MET  30          3HE       MET  30   4.479 -11.453   6.133
  252   2HE   MET  30          1HE       MET  30   4.713  -9.792   6.745
  253   3HE   MET  30          2HE       MET  30   5.890 -11.051   7.124
  254    H    LYS  31           HN       LYS  31  -0.318  -9.333   7.310
  255    HA   LYS  31           HA       LYS  31  -1.639 -10.004   9.785
  256   1HB   LYS  31          2HB       LYS  31  -0.509  -7.554   8.436
  257   2HB   LYS  31          3HB       LYS  31  -1.842  -7.327   9.547
  258   1HG   LYS  31          2HG       LYS  31  -0.699  -7.962  11.402
  259   2HG   LYS  31          3HG       LYS  31   0.336  -9.116  10.554
  260   1HD   LYS  31          2HD       LYS  31   0.566  -6.107  10.161
  261   2HD   LYS  31          3HD       LYS  31   1.467  -6.963  11.411
  262   1HE   LYS  31          2HE       LYS  31   1.657  -7.862   8.500
  263   2HE   LYS  31          3HE       LYS  31   2.621  -6.533   9.118
  264   1HZ   LYS  31          3HZ       LYS  31   3.543  -8.019  10.797
  265   2HZ   LYS  31          1HZ       LYS  31   2.698  -9.291  10.258
  266   3HZ   LYS  31          2HZ       LYS  31   3.847  -8.565   9.314
  267    H    TYR  32           HN       TYR  32  -2.467  -8.053   6.858
  268    HA   TYR  32           HA       TYR  32  -5.248  -7.975   7.725
  269   1HB   TYR  32          2HB       TYR  32  -5.623  -6.439   5.966
  270   2HB   TYR  32          3HB       TYR  32  -4.152  -6.004   6.807
  271    HD1  TYR  32           HD2      TYR  32  -5.549  -7.305   3.616
  272    HD2  TYR  32           HD1      TYR  32  -2.024  -5.944   5.657
  273    HE1  TYR  32           HE2      TYR  32  -4.292  -7.394   1.486
  274    HE2  TYR  32           HE1      TYR  32  -0.855  -5.785   3.440
  275    HH   TYR  32           HH       TYR  32  -0.797  -6.782   1.380
  276    H    HIS  33           HN       HIS  33  -3.774 -10.466   6.479
  277    HA   HIS  33           HA       HIS  33  -4.989 -11.524   4.346
  278   1HB   HIS  33          2HB       HIS  33  -3.490 -12.472   6.475
  279   2HB   HIS  33          3HB       HIS  33  -5.007 -13.269   6.784
  280    HD1  HIS  33           HD1      HIS  33  -4.833 -15.659   5.842
  281    HD2  HIS  33           HD2      HIS  33  -2.670 -12.766   3.671
  282    HE1  HIS  33           HE1      HIS  33  -3.659 -16.892   3.936
  283    HA   PRO  34           HA       PRO  34  -9.380 -11.655   5.571
  284   1HB   PRO  34          2HB       PRO  34 -10.463 -13.018   3.526
  285   2HB   PRO  34          3HB       PRO  34  -9.644 -11.466   3.206
  286   1HG   PRO  34          2HG       PRO  34  -8.476 -14.251   2.889
  287   2HG   PRO  34          3HG       PRO  34  -8.461 -12.913   1.713
  288   1HD   PRO  34          2HD       PRO  34  -6.374 -13.444   3.442
  289   2HD   PRO  34          3HD       PRO  34  -6.743 -11.811   2.835
  290    H    ASP  35           HN       ASP  35  -7.948 -13.120   7.271
  291    HA   ASP  35           HA       ASP  35  -8.313 -15.965   6.748
  292   1HB   ASP  35          2HB       ASP  35  -6.286 -14.578   7.977
  293   2HB   ASP  35          3HB       ASP  35  -7.110 -15.272   9.362
  294    H    ARG  36           HN       ARG  36 -10.576 -15.656   6.691
  295    HA   ARG  36           HA       ARG  36 -12.670 -15.506   7.409
  296   1HB   ARG  36          2HB       ARG  36 -13.313 -16.669   9.574
  297   2HB   ARG  36          3HB       ARG  36 -12.821 -17.598   8.194
  298   1HG   ARG  36          2HG       ARG  36 -11.051 -17.008  10.620
  299   2HG   ARG  36          3HG       ARG  36 -12.061 -18.421  10.417
  300   1HD   ARG  36          2HD       ARG  36  -9.433 -17.846   9.145
  301   2HD   ARG  36          3HD       ARG  36 -10.061 -19.326   9.812
  302    HE   ARG  36           HE       ARG  36 -11.654 -19.306   7.787
  303   1HH1  ARG  36          2HH2      ARG  36  -8.196 -18.420   7.616
  304   2HH1  ARG  36          1HH2      ARG  36  -8.184 -18.338   5.883
  305   1HH2  ARG  36          2HH1      ARG  36 -11.647 -19.033   5.487
  306   2HH2  ARG  36          1HH1      ARG  36 -10.197 -18.449   4.723
  307    H    ASN  37           HN       ASN  37 -11.292 -13.334   7.559
  308    HA   ASN  37           HA       ASN  37 -10.943 -11.312   8.623
  309   1HB   ASN  37          2HB       ASN  37 -12.894 -10.031   8.466
  310   2HB   ASN  37          3HB       ASN  37 -12.759 -11.126   7.108
  311   1HD2  ASN  37          2HD2      ASN  37 -15.637 -13.132   8.238
  312   2HD2  ASN  37          1HD2      ASN  37 -14.062 -13.291   7.446
  313    H    GLN  38           HN       GLN  38  -9.961 -11.955  10.441
  314    HA   GLN  38           HA       GLN  38 -10.936 -13.024  12.727
  315   1HB   GLN  38          2HB       GLN  38  -8.582 -11.143  12.105
  316   2HB   GLN  38          3HB       GLN  38  -8.816 -11.739  13.748
  317   1HG   GLN  38          2HG       GLN  38  -8.359 -13.474  11.316
  318   2HG   GLN  38          3HG       GLN  38  -7.237 -13.165  12.645
  319   1HE2  GLN  38          2HE2      GLN  38  -9.746 -16.248  12.984
  320   2HE2  GLN  38          1HE2      GLN  38  -9.351 -15.443  11.465
  321    H    GLY  39           HN       GLY  39 -10.802 -12.100  14.991
  322   1HA   GLY  39          1HA       GLY  39 -12.881 -10.367  15.602
  323   2HA   GLY  39          2HA       GLY  39 -11.480 -10.653  16.647
  324    H    ASP  40           HN       ASP  40  -9.458  -9.536  14.946
  325    HA   ASP  40           HA       ASP  40  -9.550  -6.791  15.382
  326   1HB   ASP  40          2HB       ASP  40  -7.472  -8.011  14.993
  327   2HB   ASP  40          3HB       ASP  40  -7.974  -8.383  13.326
  328    H    LYS  41           HN       LYS  41 -11.191  -5.538  14.535
  329    HA   LYS  41           HA       LYS  41 -12.120  -5.979  11.749
  330   1HB   LYS  41          2HB       LYS  41 -13.080  -4.197  13.991
  331   2HB   LYS  41          3HB       LYS  41 -13.574  -3.983  12.314
  332   1HG   LYS  41          2HG       LYS  41 -14.253  -6.469  12.299
  333   2HG   LYS  41          3HG       LYS  41 -13.962  -6.469  14.030
  334   1HD   LYS  41          2HD       LYS  41 -16.340  -6.139  13.594
  335   2HD   LYS  41          3HD       LYS  41 -15.666  -4.702  14.346
  336   1HE   LYS  41          2HE       LYS  41 -17.280  -4.192  12.528
  337   2HE   LYS  41          3HE       LYS  41 -15.704  -3.474  12.222
  338   1HZ   LYS  41          3HZ       LYS  41 -16.712  -5.949  10.978
  339   2HZ   LYS  41          1HZ       LYS  41 -16.673  -4.440  10.302
  340   3HZ   LYS  41          2HZ       LYS  41 -15.262  -5.193  10.603
  341    H    GLU  42           HN       GLU  42  -9.634  -4.063  13.313
  342    HA   GLU  42           HA       GLU  42  -9.900  -1.878  11.449
  343   1HB   GLU  42          2HB       GLU  42  -7.604  -1.244  12.056
  344   2HB   GLU  42          3HB       GLU  42  -8.735  -1.132  13.377
  345   1HG   GLU  42          2HG       GLU  42  -7.860  -3.264  14.309
  346   2HG   GLU  42          3HG       GLU  42  -6.803  -3.439  12.898
  347    H    ALA  43           HN       ALA  43  -8.633  -5.112  11.521
  348    HA   ALA  43           HA       ALA  43  -6.836  -5.364   9.564
  349   1HB   ALA  43          1HB       ALA  43  -7.963  -7.278  10.700
  350   2HB   ALA  43          2HB       ALA  43  -9.444  -6.959   9.777
  351   3HB   ALA  43          3HB       ALA  43  -7.983  -7.505   8.940
  352    H    GLU  44           HN       GLU  44 -10.238  -4.558   9.068
  353    HA   GLU  44           HA       GLU  44 -10.105  -4.704   6.150
  354   1HB   GLU  44          2HB       GLU  44 -12.288  -4.814   7.354
  355   2HB   GLU  44          3HB       GLU  44 -12.086  -3.133   7.871
  356   1HG   GLU  44          2HG       GLU  44 -12.068  -2.373   5.541
  357   2HG   GLU  44          3HG       GLU  44 -12.163  -4.045   4.961
  358    H    ALA  45           HN       ALA  45 -10.137  -1.932   8.438
  359    HA   ALA  45           HA       ALA  45  -9.617  -0.012   6.499
  360   1HB   ALA  45          3HB       ALA  45 -10.496   0.380   8.819
  361   2HB   ALA  45          1HB       ALA  45  -8.886  -0.001   9.473
  362   3HB   ALA  45          2HB       ALA  45  -9.114   1.435   8.456
  363    H    LYS  46           HN       LYS  46  -7.498  -2.144   8.188
  364    HA   LYS  46           HA       LYS  46  -5.001  -0.841   7.637
  365   1HB   LYS  46          2HB       LYS  46  -5.710  -2.931   9.284
  366   2HB   LYS  46          3HB       LYS  46  -5.139  -3.842   7.896
  367   1HG   LYS  46          2HG       LYS  46  -3.157  -3.625   8.981
  368   2HG   LYS  46          3HG       LYS  46  -3.076  -2.098   8.099
  369   1HD   LYS  46          2HD       LYS  46  -4.023  -2.575  10.978
  370   2HD   LYS  46          3HD       LYS  46  -2.516  -1.807  10.467
  371   1HE   LYS  46          2HE       LYS  46  -3.800   0.084   9.485
  372   2HE   LYS  46          3HE       LYS  46  -5.321  -0.654  10.045
  373   1HZ   LYS  46          2HZ       LYS  46  -3.097   0.149  11.798
  374   2HZ   LYS  46          3HZ       LYS  46  -4.437   1.051  11.562
  375   3HZ   LYS  46          1HZ       LYS  46  -4.570  -0.417  12.290
  376    H    PHE  47           HN       PHE  47  -6.822  -3.589   6.177
  377    HA   PHE  47           HA       PHE  47  -5.222  -3.827   3.838
  378   1HB   PHE  47          2HB       PHE  47  -6.811  -5.547   4.146
  379   2HB   PHE  47          3HB       PHE  47  -8.090  -4.462   4.572
  380    HD1  PHE  47          2HD       PHE  47  -5.966  -5.332   1.585
  381    HD2  PHE  47          1HD       PHE  47  -9.754  -3.874   3.050
  382    HE1  PHE  47          2HE       PHE  47  -6.930  -5.474  -0.715
  383    HE2  PHE  47          1HE       PHE  47 -10.687  -4.001   0.758
  384    HZ   PHE  47           HZ       PHE  47  -9.287  -4.805  -1.113
  385    H    LYS  48           HN       LYS  48  -7.759  -1.457   4.734
  386    HA   LYS  48           HA       LYS  48  -7.952  -0.400   2.093
  387   1HB   LYS  48          2HB       LYS  48  -8.687   0.906   4.731
  388   2HB   LYS  48          3HB       LYS  48  -8.953   1.617   3.141
  389   1HG   LYS  48          2HG       LYS  48 -10.277  -0.231   2.398
  390   2HG   LYS  48          3HG       LYS  48  -9.954  -1.141   3.875
  391   1HD   LYS  48          2HD       LYS  48 -11.304   0.375   5.188
  392   2HD   LYS  48          3HD       LYS  48 -11.333   1.574   3.879
  393   1HE   LYS  48          2HE       LYS  48 -12.799   0.324   2.553
  394   2HE   LYS  48          3HE       LYS  48 -12.510  -1.196   3.422
  395   1HZ   LYS  48          3HZ       LYS  48 -13.693   1.035   4.887
  396   2HZ   LYS  48          1HZ       LYS  48 -14.610   0.153   3.819
  397   3HZ   LYS  48          2HZ       LYS  48 -13.893  -0.603   5.082
  398    H    GLU  49           HN       GLU  49  -5.906   0.595   4.973
  399    HA   GLU  49           HA       GLU  49  -4.946   2.851   3.545
  400   1HB   GLU  49          2HB       GLU  49  -3.410   3.143   5.290
  401   2HB   GLU  49          3HB       GLU  49  -4.857   2.505   6.062
  402   1HG   GLU  49          2HG       GLU  49  -3.738   0.358   6.370
  403   2HG   GLU  49          3HG       GLU  49  -2.376   0.912   5.390
  404    H    ILE  50           HN       ILE  50  -3.774  -0.460   3.873
  405    HA   ILE  50           HA       ILE  50  -1.341   0.036   2.430
  406    HB   ILE  50           HB       ILE  50  -2.700  -2.636   2.859
  407   1HG1  ILE  50          2HG1      ILE  50  -0.587  -1.533   4.759
  408   2HG1  ILE  50          3HG1      ILE  50  -2.271  -1.185   5.062
  409   1HG2  ILE  50          3HG2      ILE  50  -0.711  -2.546   1.324
  410   2HG2  ILE  50          1HG2      ILE  50   0.249  -1.829   2.616
  411   3HG2  ILE  50          2HG2      ILE  50  -0.349  -3.490   2.768
  412   1HD1  ILE  50          2HD1      ILE  50  -2.862  -3.575   5.000
  413   2HD1  ILE  50          3HD1      ILE  50  -1.145  -3.931   4.780
  414   3HD1  ILE  50          1HD1      ILE  50  -1.695  -3.195   6.282
  415    H    LYS  51           HN       LYS  51  -4.629  -1.142   1.443
  416    HA   LYS  51           HA       LYS  51  -3.712  -1.689  -1.200
  417   1HB   LYS  51          2HB       LYS  51  -5.583  -2.883  -0.196
  418   2HB   LYS  51          3HB       LYS  51  -6.532  -1.401  -0.154
  419   1HG   LYS  51          2HG       LYS  51  -7.179  -2.817  -2.052
  420   2HG   LYS  51          3HG       LYS  51  -6.602  -1.214  -2.531
  421   1HD   LYS  51          2HD       LYS  51  -4.391  -2.197  -3.127
  422   2HD   LYS  51          3HD       LYS  51  -5.075  -3.820  -2.887
  423   1HE   LYS  51          2HE       LYS  51  -6.106  -1.647  -4.805
  424   2HE   LYS  51          3HE       LYS  51  -4.956  -2.906  -5.253
  425   1HZ   LYS  51          2HZ       LYS  51  -6.594  -4.566  -4.789
  426   2HZ   LYS  51          3HZ       LYS  51  -7.739  -3.403  -4.398
  427   3HZ   LYS  51          1HZ       LYS  51  -7.091  -3.493  -5.911
  428    H    GLU  52           HN       GLU  52  -5.186   1.148   0.411
  429    HA   GLU  52           HA       GLU  52  -5.729   2.750  -1.908
  430   1HB   GLU  52          2HB       GLU  52  -6.479   3.277   0.400
  431   2HB   GLU  52          3HB       GLU  52  -4.804   3.524   0.869
  432   1HG   GLU  52          2HG       GLU  52  -5.651   5.654   0.512
  433   2HG   GLU  52          3HG       GLU  52  -4.676   5.362  -0.929
  434    H    ALA  53           HN       ALA  53  -2.888   2.462   0.282
  435    HA   ALA  53           HA       ALA  53  -1.118   4.029  -1.221
  436   1HB   ALA  53          1HB       ALA  53  -0.595   1.607   0.523
  437   2HB   ALA  53          2HB       ALA  53   0.660   2.733  -0.064
  438   3HB   ALA  53          3HB       ALA  53  -0.618   3.292   1.043
  439    H    TYR  54           HN       TYR  54  -1.664   0.475  -1.527
  440    HA   TYR  54           HA       TYR  54   0.232   0.147  -3.620
  441   1HB   TYR  54          2HB       TYR  54  -0.592  -1.685  -2.260
  442   2HB   TYR  54          3HB       TYR  54  -2.235  -1.384  -2.812
  443    HD1  TYR  54           HD1      TYR  54   0.768  -1.558  -5.073
  444    HD2  TYR  54           HD2      TYR  54  -2.673  -3.628  -3.506
  445    HE1  TYR  54           HE1      TYR  54   0.861  -3.154  -6.944
  446    HE2  TYR  54           HE2      TYR  54  -2.711  -5.075  -5.504
  447    HH   TYR  54           HH       TYR  54  -0.606  -4.586  -8.290
  448    H    GLU  55           HN       GLU  55  -3.270   1.111  -3.765
  449    HA   GLU  55           HA       GLU  55  -3.663   0.838  -6.535
  450   1HB   GLU  55          2HB       GLU  55  -5.563   0.859  -5.274
  451   2HB   GLU  55          3HB       GLU  55  -4.966   2.081  -4.164
  452   1HG   GLU  55          2HG       GLU  55  -5.249   3.816  -5.544
  453   2HG   GLU  55          3HG       GLU  55  -5.403   2.782  -6.993
  454    H    VAL  56           HN       VAL  56  -2.517   3.375  -4.312
  455    HA   VAL  56           HA       VAL  56  -2.396   5.439  -6.162
  456    HB   VAL  56           HB       VAL  56  -1.155   4.932  -3.480
  457   1HG1  VAL  56          2HG1      VAL  56  -0.605   7.363  -5.193
  458   2HG1  VAL  56          3HG1      VAL  56  -0.565   7.388  -3.427
  459   3HG1  VAL  56          1HG1      VAL  56   0.544   6.341  -4.312
  460   1HG2  VAL  56          3HG2      VAL  56  -3.622   5.434  -3.802
  461   2HG2  VAL  56          1HG2      VAL  56  -2.770   6.621  -2.805
  462   3HG2  VAL  56          2HG2      VAL  56  -3.145   6.962  -4.517
  463    H    LEU  57           HN       LEU  57  -0.366   2.733  -6.040
  464    HA   LEU  57           HA       LEU  57   1.843   4.101  -7.540
  465   1HB   LEU  57          2HB       LEU  57   1.798   1.464  -6.059
  466   2HB   LEU  57          3HB       LEU  57   3.211   2.274  -6.747
  467    HG   LEU  57           HG       LEU  57   1.435   3.425  -4.514
  468   1HD1  LEU  57          2HD1      LEU  57   4.137   2.155  -4.455
  469   2HD1  LEU  57          3HD1      LEU  57   3.354   2.970  -3.069
  470   3HD1  LEU  57          1HD1      LEU  57   2.605   1.521  -3.770
  471   1HD2  LEU  57          2HD2      LEU  57   3.944   4.491  -5.733
  472   2HD2  LEU  57          3HD2      LEU  57   2.334   5.243  -5.778
  473   3HD2  LEU  57          1HD2      LEU  57   3.166   5.096  -4.238
  474    H    THR  58           HN       THR  58  -0.475   1.432  -7.599
  475    HA   THR  58           HA       THR  58   0.318   0.699 -10.320
  476    HB   THR  58           HB       THR  58  -1.696  -0.707 -10.218
  477    HG1  THR  58          1HG       THR  58  -1.813   0.222  -7.524
  478   1HG2  THR  58          3HG2      THR  58   0.574  -1.450  -9.443
  479   2HG2  THR  58          1HG2      THR  58   0.193  -0.903  -7.808
  480   3HG2  THR  58          2HG2      THR  58  -0.747  -2.227  -8.550
  481    H    ASP  59           HN       ASP  59  -1.395   3.387  -8.997
  482    HA   ASP  59           HA       ASP  59  -2.419   4.307 -11.561
  483   1HB   ASP  59          2HB       ASP  59  -4.047   2.421 -10.658
  484   2HB   ASP  59          3HB       ASP  59  -4.489   3.609  -9.435
  485    H    SER  60           HN       SER  60  -4.001   6.401 -10.737
  486    HA   SER  60           HA       SER  60  -4.411   8.031  -9.370
  487   1HB   SER  60          2HB       SER  60  -4.171   6.401  -7.378
  488   2HB   SER  60          3HB       SER  60  -2.570   7.199  -7.197
  489    HG   SER  60           HG       SER  60  -5.118   8.478  -7.173
  490    H    GLN  61           HN       GLN  61  -3.708   9.804 -10.001
  491    HA   GLN  61           HA       GLN  61  -1.081  10.707 -10.527
  492   1HB   GLN  61          2HB       GLN  61  -3.106  11.810 -11.306
  493   2HB   GLN  61          3HB       GLN  61  -3.671  12.088  -9.646
  494   1HG   GLN  61          2HG       GLN  61  -0.928  12.997 -10.367
  495   2HG   GLN  61          3HG       GLN  61  -2.281  13.844 -11.114
  496   1HE2  GLN  61          2HE2      GLN  61  -1.487  15.843  -8.080
  497   2HE2  GLN  61          1HE2      GLN  61  -0.681  15.388  -9.583
  498    H    LYS  62           HN       LYS  62  -2.747   9.989  -7.502
  499    HA   LYS  62           HA       LYS  62  -1.257  11.650  -5.723
  500   1HB   LYS  62          2HB       LYS  62  -2.217   8.810  -5.466
  501   2HB   LYS  62          3HB       LYS  62  -1.387   9.648  -4.150
  502   1HG   LYS  62          2HG       LYS  62  -3.109  11.278  -3.932
  503   2HG   LYS  62          3HG       LYS  62  -3.905  10.769  -5.440
  504   1HD   LYS  62          2HD       LYS  62  -4.593   8.687  -4.543
  505   2HD   LYS  62          3HD       LYS  62  -3.495   8.814  -3.150
  506   1HE   LYS  62          2HE       LYS  62  -4.829  10.420  -2.060
  507   2HE   LYS  62          3HE       LYS  62  -5.739  10.817  -3.522
  508   1HZ   LYS  62          1HZ       LYS  62  -6.002   8.140  -2.244
  509   2HZ   LYS  62          2HZ       LYS  62  -6.867   9.445  -1.838
  510   3HZ   LYS  62          3HZ       LYS  62  -6.946   8.841  -3.378
  511    H    ARG  63           HN       ARG  63   0.040   9.272  -7.934
  512    HA   ARG  63           HA       ARG  63   2.583   8.998  -6.361
  513   1HB   ARG  63          2HB       ARG  63   2.080   7.060  -7.637
  514   2HB   ARG  63          3HB       ARG  63   1.863   8.009  -9.123
  515   1HG   ARG  63          2HG       ARG  63   4.089   7.904  -9.554
  516   2HG   ARG  63          3HG       ARG  63   4.482   8.674  -8.022
  517   1HD   ARG  63          2HD       ARG  63   5.653   6.716  -7.984
  518   2HD   ARG  63          3HD       ARG  63   4.279   6.469  -6.873
  519    HE   ARG  63           HE       ARG  63   3.563   5.584  -9.502
  520   1HH1  ARG  63          2HH2      ARG  63   5.910   4.530  -7.022
  521   2HH1  ARG  63          1HH2      ARG  63   5.899   2.882  -7.582
  522   1HH2  ARG  63          2HH1      ARG  63   3.576   3.591 -10.181
  523   2HH2  ARG  63          1HH1      ARG  63   4.448   2.295  -9.377
  524    H    ALA  64           HN       ALA  64   1.547  10.175  -9.593
  525    HA   ALA  64           HA       ALA  64   3.880  11.513 -10.217
  526   1HB   ALA  64          3HB       ALA  64   2.045  11.025 -11.818
  527   2HB   ALA  64          1HB       ALA  64   1.067  12.298 -11.070
  528   3HB   ALA  64          2HB       ALA  64   2.574  12.711 -11.909
  529    H    ALA  65           HN       ALA  65   1.249  12.626  -8.203
  530    HA   ALA  65           HA       ALA  65   1.869  15.294  -7.894
  531   1HB   ALA  65          3HB       ALA  65   0.905  13.206  -5.847
  532   2HB   ALA  65          1HB       ALA  65   0.807  14.946  -5.570
  533   3HB   ALA  65          2HB       ALA  65  -0.126  14.188  -6.885
  534    H    TYR  66           HN       TYR  66   3.043  12.490  -6.020
  535    HA   TYR  66           HA       TYR  66   4.744  14.097  -4.393
  536   1HB   TYR  66          2HB       TYR  66   3.880  11.896  -3.618
  537   2HB   TYR  66          3HB       TYR  66   4.728  11.070  -4.922
  538    HD1  TYR  66           HD2      TYR  66   7.247  10.939  -4.925
  539    HD2  TYR  66           HD1      TYR  66   5.049  12.548  -1.583
  540    HE1  TYR  66           HE2      TYR  66   9.363  11.633  -3.867
  541    HE2  TYR  66           HE1      TYR  66   7.171  13.212  -0.512
  542    HH   TYR  66           HH       TYR  66  10.103  13.388  -2.431
  543    H    ASP  67           HN       ASP  67   5.159  11.985  -7.249
  544    HA   ASP  67           HA       ASP  67   7.925  12.046  -7.527
  545   1HB   ASP  67          2HB       ASP  67   5.682  11.229  -9.085
  546   2HB   ASP  67          3HB       ASP  67   6.659  12.246 -10.147
  547    H    GLN  68           HN       GLN  68   5.525  14.512  -8.532
  548    HA   GLN  68           HA       GLN  68   7.458  16.210  -9.798
  549   1HB   GLN  68          2HB       GLN  68   4.780  15.970  -9.895
  550   2HB   GLN  68          3HB       GLN  68   4.832  17.331  -8.807
  551   1HG   GLN  68          2HG       GLN  68   6.210  17.126 -11.518
  552   2HG   GLN  68          3HG       GLN  68   4.623  17.829 -11.224
  553   1HE2  GLN  68          2HE2      GLN  68   5.829  20.857  -9.831
  554   2HE2  GLN  68          1HE2      GLN  68   4.515  19.727  -9.596
  555    H    TYR  69           HN       TYR  69   5.437  16.762  -6.900
  556    HA   TYR  69           HA       TYR  69   7.459  18.845  -6.127
  557   1HB   TYR  69          2HB       TYR  69   4.801  19.074  -6.526
  558   2HB   TYR  69          3HB       TYR  69   4.795  18.878  -4.784
  559    HD1  TYR  69           HD1      TYR  69   6.552  20.503  -3.477
  560    HD2  TYR  69           HD2      TYR  69   5.131  21.168  -7.503
  561    HE1  TYR  69           HE1      TYR  69   7.633  22.718  -3.513
  562    HE2  TYR  69           HE2      TYR  69   5.975  23.471  -7.406
  563    HH   TYR  69           HH       TYR  69   6.939  25.156  -5.208
  564    H    GLY  70           HN       GLY  70   6.290  15.785  -5.039
  565   1HA   GLY  70          1HA       GLY  70   6.780  14.623  -3.192
  566   2HA   GLY  70          2HA       GLY  70   7.788  15.917  -2.587
  567    H    HIS  71           HN       HIS  71   6.273  17.852  -2.272
  568    HA   HIS  71           HA       HIS  71   4.815  17.334   0.091
  569   1HB   HIS  71          2HB       HIS  71   6.072  19.485  -0.763
  570   2HB   HIS  71          3HB       HIS  71   4.502  19.978  -1.377
  571    HD1  HIS  71           HD1      HIS  71   6.535  20.604   1.490
  572    HD2  HIS  71           HD2      HIS  71   2.669  19.001   1.025
  573    HE1  HIS  71           HE1      HIS  71   5.462  20.594   3.797
  574    H    ALA  72           HN       ALA  72   3.437  18.886  -2.872
  575    HA   ALA  72           HA       ALA  72   1.496  16.818  -3.096
  576   1HB   ALA  72          1HB       ALA  72   0.550  18.205  -1.178
  577   2HB   ALA  72          2HB       ALA  72   0.201  19.436  -2.420
  578   3HB   ALA  72          3HB       ALA  72  -0.511  17.834  -2.554
  579    H    ALA  73           HN       ALA  73   3.216  17.735  -5.007
  580    HA   ALA  73           HA       ALA  73   3.180  17.659  -7.237
  581   1HB   ALA  73          2HB       ALA  73   0.811  16.794  -6.779
  582   2HB   ALA  73          3HB       ALA  73   0.300  18.400  -7.331
  583   3HB   ALA  73          1HB       ALA  73   1.280  17.369  -8.416
  584    H    PHE  74           HN       PHE  74   1.936  20.177  -5.483
  585    HA   PHE  74           HA       PHE  74   3.094  22.441  -6.568
  586   1HB   PHE  74          2HB       PHE  74   1.438  21.786  -8.551
  587   2HB   PHE  74          3HB       PHE  74   0.202  22.419  -7.499
  588    HD1  PHE  74          2HD       PHE  74   3.399  23.122  -9.283
  589    HD2  PHE  74          1HD       PHE  74   0.064  24.872  -7.160
  590    HE1  PHE  74          2HE       PHE  74   3.835  25.299 -10.383
  591    HE2  PHE  74          1HE       PHE  74   0.565  27.064  -8.222
  592    HZ   PHE  74           HZ       PHE  74   2.385  27.249  -9.897
  593    H    GLU  75           HN       GLU  75   3.182  22.066  -4.236
  594    HA   GLU  75           HA       GLU  75   0.782  23.054  -2.757
  595   1HB   GLU  75          2HB       GLU  75   1.992  20.630  -2.403
  596   2HB   GLU  75          3HB       GLU  75   2.919  21.578  -1.256
  597   1HG   GLU  75          2HG       GLU  75  -0.134  21.413  -1.307
  598   2HG   GLU  75          3HG       GLU  75   0.920  20.379  -0.346
  599    H    GLN  76           HN       GLN  76   3.506  24.186  -4.237
  600    HA   GLN  76           HA       GLN  76   4.100  26.343  -2.511
  601   1HB   GLN  76          2HB       GLN  76   5.434  23.695  -2.348
  602   2HB   GLN  76          3HB       GLN  76   6.530  24.919  -2.892
  603   1HG   GLN  76          2HG       GLN  76   6.312  26.148  -0.823
  604   2HG   GLN  76          3HG       GLN  76   4.767  25.388  -0.449
  605   1HE2  GLN  76          2HE2      GLN  76   6.603  23.365   1.819
  606   2HE2  GLN  76          1HE2      GLN  76   5.575  24.769   1.698
   
  No H/Q in entry =         606
  Start of MODEL    6
    1   1H    ALA   2          1HN       ALA   2   5.274  16.151   4.997
    2   2H    ALA   2          2HN       ALA   2   6.076  16.661   3.656
    3   3H    ALA   2          3HN       ALA   2   5.917  17.677   4.944
    4    HA   ALA   2           HA       ALA   2   3.785  18.188   4.607
    5   1HB   ALA   2          1HB       ALA   2   5.070  18.935   2.624
    6   2HB   ALA   2          2HB       ALA   2   4.651  17.434   1.781
    7   3HB   ALA   2          3HB       ALA   2   3.380  18.594   2.230
    8    H    LYS   3           HN       LYS   3   2.791  16.458   1.889
    9    HA   LYS   3           HA       LYS   3   0.712  15.099   2.943
   10   1HB   LYS   3          2HB       LYS   3   0.944  13.559   0.966
   11   2HB   LYS   3          3HB       LYS   3   1.017  15.281   0.604
   12   1HG   LYS   3          2HG       LYS   3   3.067  15.150  -0.284
   13   2HG   LYS   3          3HG       LYS   3   3.722  14.254   1.087
   14   1HD   LYS   3          2HD       LYS   3   2.909  12.129   0.185
   15   2HD   LYS   3          3HD       LYS   3   2.076  12.965  -1.127
   16   1HE   LYS   3          2HE       LYS   3   4.192  11.963  -1.898
   17   2HE   LYS   3          3HE       LYS   3   4.227  13.724  -2.084
   18   1HZ   LYS   3          2HZ       LYS   3   5.478  12.227   0.125
   19   2HZ   LYS   3          3HZ       LYS   3   6.274  12.771  -1.172
   20   3HZ   LYS   3          1HZ       LYS   3   5.607  13.880  -0.156
   21    H    GLN   4           HN       GLN   4   0.212  13.027   3.784
   22    HA   GLN   4           HA       GLN   4   2.293  11.490   5.029
   23   1HB   GLN   4          2HB       GLN   4  -0.064   9.966   4.909
   24   2HB   GLN   4          3HB       GLN   4   0.622  10.899   6.245
   25   1HG   GLN   4          2HG       GLN   4  -0.736  12.850   5.641
   26   2HG   GLN   4          3HG       GLN   4  -1.433  11.940   4.275
   27   1HE2  GLN   4          2HE2      GLN   4  -2.517  10.788   8.093
   28   2HE2  GLN   4          1HE2      GLN   4  -0.800  10.930   7.754
   29    H    ASP   5           HN       ASP   5   3.506   9.981   3.963
   30    HA   ASP   5           HA       ASP   5   2.764   9.169   1.205
   31   1HB   ASP   5          2HB       ASP   5   5.280   9.608   2.571
   32   2HB   ASP   5          3HB       ASP   5   5.217   7.930   2.115
   33    H    TYR   6           HN       TYR   6   3.554   6.811   0.803
   34    HA   TYR   6           HA       TYR   6   1.789   5.139   2.578
   35   1HB   TYR   6          2HB       TYR   6   2.201   5.197  -0.427
   36   2HB   TYR   6          3HB       TYR   6   1.283   3.980   0.443
   37    HD1  TYR   6           HD2      TYR   6  -0.654   4.805   2.013
   38    HD2  TYR   6           HD1      TYR   6   1.108   7.218  -1.102
   39    HE1  TYR   6           HE2      TYR   6  -2.531   6.398   2.187
   40    HE2  TYR   6           HE1      TYR   6  -0.780   8.804  -0.924
   41    HH   TYR   6           HH       TYR   6  -3.328   8.445   1.563
   42    H    TYR   7           HN       TYR   7   4.916   5.084   0.854
   43    HA   TYR   7           HA       TYR   7   5.180   2.252   0.900
   44   1HB   TYR   7          2HB       TYR   7   7.588   2.663   0.626
   45   2HB   TYR   7          3HB       TYR   7   6.598   3.594  -0.489
   46    HD1  TYR   7           HD2      TYR   7   8.642   3.787   2.620
   47    HD2  TYR   7           HD1      TYR   7   6.712   6.015  -0.532
   48    HE1  TYR   7           HE2      TYR   7   9.575   5.884   3.528
   49    HE2  TYR   7           HE1      TYR   7   7.762   8.091   0.309
   50    HH   TYR   7           HH       TYR   7   9.921   8.069   3.169
   51    H    GLU   8           HN       GLU   8   5.854   4.712   3.425
   52    HA   GLU   8           HA       GLU   8   7.377   2.849   4.995
   53   1HB   GLU   8          2HB       GLU   8   6.997   5.670   4.835
   54   2HB   GLU   8          3HB       GLU   8   6.395   5.214   6.411
   55   1HG   GLU   8          2HG       GLU   8   9.113   4.289   5.329
   56   2HG   GLU   8          3HG       GLU   8   8.898   5.847   6.100
   57    H    ILE   9           HN       ILE   9   4.056   4.081   4.882
   58    HA   ILE   9           HA       ILE   9   2.957   2.830   7.102
   59    HB   ILE   9           HB       ILE   9   1.766   3.419   4.365
   60   1HG1  ILE   9          2HG1      ILE   9   1.546   4.824   7.052
   61   2HG1  ILE   9          3HG1      ILE   9   2.545   5.374   5.689
   62   1HG2  ILE   9          2HG2      ILE   9   0.467   1.634   5.400
   63   2HG2  ILE   9          3HG2      ILE   9   0.303   2.613   6.884
   64   3HG2  ILE   9          1HG2      ILE   9  -0.429   3.137   5.349
   65   1HD1  ILE   9          2HD1      ILE   9   0.405   5.499   4.314
   66   2HD1  ILE   9          3HD1      ILE   9  -0.479   5.295   5.844
   67   3HD1  ILE   9          1HD1      ILE   9   0.591   6.685   5.620
   68    H    LEU  10           HN       LEU  10   3.553   1.462   3.762
   69    HA   LEU  10           HA       LEU  10   2.529  -1.112   4.541
   70   1HB   LEU  10          2HB       LEU  10   4.210  -0.112   2.229
   71   2HB   LEU  10          3HB       LEU  10   4.079  -1.837   2.559
   72    HG   LEU  10           HG       LEU  10   1.569  -1.627   2.554
   73   1HD1  LEU  10          1HD1      LEU  10   1.364   0.815   2.939
   74   2HD1  LEU  10          2HD1      LEU  10   2.107   1.092   1.338
   75   3HD1  LEU  10          3HD1      LEU  10   0.550   0.239   1.500
   76   1HD2  LEU  10          2HD2      LEU  10   3.107  -0.931   0.031
   77   2HD2  LEU  10          3HD2      LEU  10   2.669  -2.549   0.629
   78   3HD2  LEU  10          1HD2      LEU  10   1.408  -1.455   0.059
   79    H    GLY  11           HN       GLY  11   5.851   0.233   4.495
   80   1HA   GLY  11          1HA       GLY  11   7.407  -0.205   6.262
   81   2HA   GLY  11          2HA       GLY  11   6.591  -1.731   6.644
   82    H    VAL  12           HN       VAL  12   8.258   0.036   4.044
   83    HA   VAL  12           HA       VAL  12   9.760  -2.220   3.114
   84    HB   VAL  12           HB       VAL  12   7.556  -2.690   2.135
   85   1HG1  VAL  12          1HG1      VAL  12   6.669  -0.381   1.986
   86   2HG1  VAL  12          2HG1      VAL  12   7.792  -0.033   0.654
   87   3HG1  VAL  12          3HG1      VAL  12   6.517  -1.259   0.471
   88   1HG2  VAL  12          3HG2      VAL  12   9.595  -3.293   0.921
   89   2HG2  VAL  12          1HG2      VAL  12   8.187  -3.011  -0.131
   90   3HG2  VAL  12          2HG2      VAL  12   9.451  -1.781  -0.021
   91    H    SER  13           HN       SER  13  11.098  -1.388   1.266
   92    HA   SER  13           HA       SER  13  12.532   0.521   2.456
   93   1HB   SER  13          2HB       SER  13  13.401  -1.046   0.703
   94   2HB   SER  13          3HB       SER  13  12.769   0.044  -0.549
   95    HG   SER  13           HG       SER  13  14.501   0.965   1.500
   96    H    LYS  14           HN       LYS  14  13.039   2.696   2.267
   97    HA   LYS  14           HA       LYS  14  11.009   4.471   2.125
   98   1HB   LYS  14          2HB       LYS  14  12.822   6.237   1.520
   99   2HB   LYS  14          3HB       LYS  14  12.861   5.408   3.077
  100   1HG   LYS  14          2HG       LYS  14  14.785   4.272   2.611
  101   2HG   LYS  14          3HG       LYS  14  14.376   4.037   0.911
  102   1HD   LYS  14          2HD       LYS  14  16.328   5.408   1.118
  103   2HD   LYS  14          3HD       LYS  14  15.030   6.283   0.324
  104   1HE   LYS  14          2HE       LYS  14  14.695   7.713   2.197
  105   2HE   LYS  14          3HE       LYS  14  15.503   6.599   3.319
  106   1HZ   LYS  14          1HZ       LYS  14  16.920   7.924   1.107
  107   2HZ   LYS  14          2HZ       LYS  14  16.866   8.551   2.624
  108   3HZ   LYS  14          3HZ       LYS  14  17.582   7.096   2.347
  109    H    THR  15           HN       THR  15  13.018   3.509  -0.625
  110    HA   THR  15           HA       THR  15  11.318   5.100  -2.483
  111    HB   THR  15           HB       THR  15  13.558   5.222  -3.760
  112    HG1  THR  15          1HG       THR  15  14.906   3.906  -2.759
  113   1HG2  THR  15          2HG2      THR  15  13.262   6.630  -1.068
  114   2HG2  THR  15          3HG2      THR  15  14.375   7.103  -2.371
  115   3HG2  THR  15          1HG2      THR  15  12.621   7.165  -2.630
  116    H    ALA  16           HN       ALA  16  10.696   2.451  -1.629
  117    HA   ALA  16           HA       ALA  16  11.831   0.367  -3.052
  118   1HB   ALA  16          1HB       ALA  16   8.938   0.750  -2.175
  119   2HB   ALA  16          2HB       ALA  16   9.653  -0.798  -2.657
  120   3HB   ALA  16          3HB       ALA  16  10.259   0.035  -1.220
  121    H    GLU  17           HN       GLU  17  11.418  -0.688  -5.027
  122    HA   GLU  17           HA       GLU  17  10.150   0.711  -7.178
  123   1HB   GLU  17          2HB       GLU  17  12.013  -1.205  -7.182
  124   2HB   GLU  17          3HB       GLU  17  10.585  -2.263  -7.152
  125   1HG   GLU  17          2HG       GLU  17   9.733  -0.688  -9.081
  126   2HG   GLU  17          3HG       GLU  17  11.415  -0.147  -9.154
  127    H    GLU  18           HN       GLU  18   8.130   0.297  -7.981
  128    HA   GLU  18           HA       GLU  18   5.919  -0.382  -6.474
  129   1HB   GLU  18          2HB       GLU  18   6.420  -0.732  -9.461
  130   2HB   GLU  18          3HB       GLU  18   4.844  -0.670  -8.685
  131   1HG   GLU  18          2HG       GLU  18   5.029   1.572  -9.209
  132   2HG   GLU  18          3HG       GLU  18   5.927   1.668  -7.708
  133    H    ARG  19           HN       ARG  19   8.106  -2.487  -8.364
  134    HA   ARG  19           HA       ARG  19   6.668  -4.901  -8.259
  135   1HB   ARG  19          2HB       ARG  19   9.367  -3.976  -8.859
  136   2HB   ARG  19          3HB       ARG  19   9.490  -5.410  -7.879
  137   1HG   ARG  19          2HG       ARG  19   7.714  -5.208 -10.344
  138   2HG   ARG  19          3HG       ARG  19   9.403  -5.753 -10.387
  139   1HD   ARG  19          2HD       ARG  19   8.963  -7.582  -8.905
  140   2HD   ARG  19          3HD       ARG  19   7.314  -7.054  -8.572
  141    HE   ARG  19           HE       ARG  19   7.557  -7.426 -11.384
  142   1HH1  ARG  19          2HH2      ARG  19   8.461  -9.692  -8.923
  143   2HH1  ARG  19          1HH2      ARG  19   7.125 -10.801  -9.208
  144   1HH2  ARG  19          2HH1      ARG  19   5.843  -9.092 -11.964
  145   2HH2  ARG  19          1HH1      ARG  19   5.858 -10.570 -10.995
  146    H    GLU  20           HN       GLU  20   8.839  -3.349  -5.876
  147    HA   GLU  20           HA       GLU  20   8.682  -5.627  -4.078
  148   1HB   GLU  20          2HB       GLU  20  10.720  -4.372  -4.337
  149   2HB   GLU  20          3HB       GLU  20   9.965  -2.899  -3.732
  150   1HG   GLU  20          2HG       GLU  20  10.046  -3.639  -1.570
  151   2HG   GLU  20          3HG       GLU  20   9.730  -5.333  -2.016
  152    H    ILE  21           HN       ILE  21   7.134  -2.455  -4.505
  153    HA   ILE  21           HA       ILE  21   5.483  -2.522  -2.165
  154    HB   ILE  21           HB       ILE  21   4.763  -1.519  -4.945
  155   1HG1  ILE  21          2HG1      ILE  21   6.660  -0.280  -3.996
  156   2HG1  ILE  21          3HG1      ILE  21   5.209   0.706  -4.088
  157   1HG2  ILE  21          3HG2      ILE  21   3.255  -1.240  -2.343
  158   2HG2  ILE  21          1HG2      ILE  21   3.019  -0.178  -3.749
  159   3HG2  ILE  21          2HG2      ILE  21   2.698  -1.902  -3.887
  160   1HD1  ILE  21          1HD1      ILE  21   4.818   0.208  -1.613
  161   2HD1  ILE  21          2HD1      ILE  21   6.406  -0.596  -1.624
  162   3HD1  ILE  21          3HD1      ILE  21   6.288   1.132  -1.977
  163    H    ARG  22           HN       ARG  22   5.060  -4.163  -5.324
  164    HA   ARG  22           HA       ARG  22   2.633  -5.463  -4.740
  165   1HB   ARG  22          2HB       ARG  22   4.641  -5.632  -6.773
  166   2HB   ARG  22          3HB       ARG  22   4.464  -7.263  -6.142
  167   1HG   ARG  22          2HG       ARG  22   3.026  -6.979  -7.991
  168   2HG   ARG  22          3HG       ARG  22   1.991  -7.099  -6.560
  169   1HD   ARG  22          2HD       ARG  22   1.214  -4.911  -6.811
  170   2HD   ARG  22          3HD       ARG  22   2.805  -4.309  -7.252
  171    HE   ARG  22           HE       ARG  22   2.112  -4.228  -9.392
  172   1HH1  ARG  22          2HH2      ARG  22  -0.033  -6.694  -8.017
  173   2HH1  ARG  22          1HH2      ARG  22  -0.268  -7.503  -9.535
  174   1HH2  ARG  22          2HH1      ARG  22   1.547  -4.970 -11.282
  175   2HH2  ARG  22          1HH1      ARG  22   0.543  -6.392 -11.529
  176    H    LYS  23           HN       LYS  23   5.990  -6.590  -4.042
  177    HA   LYS  23           HA       LYS  23   5.281  -8.875  -2.624
  178   1HB   LYS  23          2HB       LYS  23   7.694  -7.145  -2.809
  179   2HB   LYS  23          3HB       LYS  23   7.524  -7.916  -1.243
  180   1HG   LYS  23          2HG       LYS  23   8.877  -9.236  -2.546
  181   2HG   LYS  23          3HG       LYS  23   7.383 -10.142  -2.299
  182   1HD   LYS  23          2HD       LYS  23   6.620  -9.639  -4.572
  183   2HD   LYS  23          3HD       LYS  23   7.934  -8.487  -4.817
  184   1HE   LYS  23          2HE       LYS  23   8.268 -11.506  -4.391
  185   2HE   LYS  23          3HE       LYS  23   8.400 -10.657  -5.940
  186   1HZ   LYS  23          3HZ       LYS  23  10.286  -9.446  -5.044
  187   2HZ   LYS  23          1HZ       LYS  23  10.204 -10.323  -3.619
  188   3HZ   LYS  23          2HZ       LYS  23  10.549 -11.065  -5.005
  189    H    ALA  24           HN       ALA  24   5.677  -5.506  -1.429
  190    HA   ALA  24           HA       ALA  24   5.385  -6.052   1.346
  191   1HB   ALA  24          1HB       ALA  24   6.151  -3.885   0.478
  192   2HB   ALA  24          2HB       ALA  24   4.538  -3.562  -0.183
  193   3HB   ALA  24          3HB       ALA  24   4.761  -3.719   1.570
  194    H    TYR  25           HN       TYR  25   2.941  -5.048  -1.077
  195    HA   TYR  25           HA       TYR  25   0.660  -5.257   0.507
  196   1HB   TYR  25          2HB       TYR  25   0.800  -4.374  -1.816
  197   2HB   TYR  25          3HB       TYR  25   0.909  -6.016  -2.434
  198    HD1  TYR  25           HD1      TYR  25  -1.083  -7.634  -2.026
  199    HD2  TYR  25           HD2      TYR  25  -1.294  -3.383  -1.346
  200    HE1  TYR  25           HE1      TYR  25  -3.554  -7.720  -2.199
  201    HE2  TYR  25           HE2      TYR  25  -3.737  -3.446  -1.725
  202    HH   TYR  25           HH       TYR  25  -5.188  -4.969  -3.178
  203    H    LYS  26           HN       LYS  26   2.139  -7.888  -1.524
  204    HA   LYS  26           HA       LYS  26   0.214  -9.743  -0.778
  205   1HB   LYS  26          2HB       LYS  26   1.252 -11.222  -2.043
  206   2HB   LYS  26          3HB       LYS  26   2.068  -9.787  -2.656
  207   1HG   LYS  26          2HG       LYS  26   4.033 -10.306  -1.276
  208   2HG   LYS  26          3HG       LYS  26   3.253 -11.728  -0.606
  209   1HD   LYS  26          2HD       LYS  26   3.912 -11.230  -3.551
  210   2HD   LYS  26          3HD       LYS  26   4.793 -12.286  -2.456
  211   1HE   LYS  26          2HE       LYS  26   1.985 -12.672  -3.587
  212   2HE   LYS  26          3HE       LYS  26   3.409 -13.688  -3.807
  213   1HZ   LYS  26          3HZ       LYS  26   3.272 -14.233  -1.434
  214   2HZ   LYS  26          1HZ       LYS  26   1.803 -13.424  -1.346
  215   3HZ   LYS  26          2HZ       LYS  26   1.973 -14.732  -2.286
  216    H    ARG  27           HN       ARG  27   3.332  -9.016   0.732
  217    HA   ARG  27           HA       ARG  27   3.357 -11.082   2.699
  218   1HB   ARG  27          2HB       ARG  27   4.690  -8.355   2.570
  219   2HB   ARG  27          3HB       ARG  27   4.925  -9.504   3.896
  220   1HG   ARG  27          2HG       ARG  27   5.653 -11.240   2.342
  221   2HG   ARG  27          3HG       ARG  27   5.501 -10.166   0.961
  222   1HD   ARG  27          2HD       ARG  27   7.350  -9.767   3.358
  223   2HD   ARG  27          3HD       ARG  27   7.826 -10.422   1.774
  224    HE   ARG  27           HE       ARG  27   6.595  -7.852   1.468
  225   1HH1  ARG  27          2HH2      ARG  27   9.577  -9.394   2.660
  226   2HH1  ARG  27          1HH2      ARG  27  10.628  -8.108   2.168
  227   1HH2  ARG  27          2HH1      ARG  27   7.984  -5.994   0.991
  228   2HH2  ARG  27          1HH1      ARG  27   9.661  -6.080   1.473
  229    H    LEU  28           HN       LEU  28   2.081  -7.752   2.692
  230    HA   LEU  28           HA       LEU  28   1.118  -7.699   5.413
  231   1HB   LEU  28          2HB       LEU  28   0.493  -6.231   2.816
  232   2HB   LEU  28          3HB       LEU  28  -0.487  -5.992   4.253
  233    HG   LEU  28           HG       LEU  28   2.507  -5.763   4.547
  234   1HD1  LEU  28          1HD1      LEU  28   1.981  -4.383   2.541
  235   2HD1  LEU  28          2HD1      LEU  28   0.717  -3.565   3.467
  236   3HD1  LEU  28          3HD1      LEU  28   2.424  -3.402   3.942
  237   1HD2  LEU  28          2HD2      LEU  28   0.969  -5.589   6.532
  238   2HD2  LEU  28          3HD2      LEU  28   1.812  -4.054   6.210
  239   3HD2  LEU  28          1HD2      LEU  28   0.129  -4.252   5.730
  240    H    ALA  29           HN       ALA  29  -0.608  -8.483   2.335
  241    HA   ALA  29           HA       ALA  29  -3.004  -8.952   3.598
  242   1HB   ALA  29          1HB       ALA  29  -2.750  -8.915   1.147
  243   2HB   ALA  29          2HB       ALA  29  -1.891 -10.472   1.183
  244   3HB   ALA  29          3HB       ALA  29  -3.604 -10.388   1.651
  245    H    MET  30           HN       MET  30  -0.390 -11.408   2.977
  246    HA   MET  30           HA       MET  30  -1.822 -13.521   4.245
  247   1HB   MET  30          2HB       MET  30   0.197 -14.807   4.132
  248   2HB   MET  30          3HB       MET  30  -0.014 -13.880   2.640
  249   1HG   MET  30          2HG       MET  30   1.599 -12.250   3.374
  250   2HG   MET  30          3HG       MET  30   1.795 -13.020   4.948
  251   1HE   MET  30          3HE       MET  30   2.444 -13.132   1.181
  252   2HE   MET  30          1HE       MET  30   3.400 -14.620   0.990
  253   3HE   MET  30          2HE       MET  30   1.664 -14.727   1.346
  254    H    LYS  31           HN       LYS  31  -0.200 -10.823   5.860
  255    HA   LYS  31           HA       LYS  31   0.942 -12.238   8.050
  256   1HB   LYS  31          2HB       LYS  31   0.002  -9.415   7.441
  257   2HB   LYS  31          3HB       LYS  31   0.324  -9.856   9.063
  258   1HG   LYS  31          2HG       LYS  31   2.614 -10.364   8.694
  259   2HG   LYS  31          3HG       LYS  31   2.407 -10.240   6.943
  260   1HD   LYS  31          2HD       LYS  31   1.413  -7.795   7.694
  261   2HD   LYS  31          3HD       LYS  31   2.478  -8.082   9.039
  262   1HE   LYS  31          2HE       LYS  31   3.299  -8.182   6.064
  263   2HE   LYS  31          3HE       LYS  31   3.422  -6.742   7.075
  264   1HZ   LYS  31          3HZ       LYS  31   4.955  -7.914   8.486
  265   2HZ   LYS  31          1HZ       LYS  31   4.915  -9.247   7.516
  266   3HZ   LYS  31          2HZ       LYS  31   5.473  -7.830   6.902
  267    H    TYR  32           HN       TYR  32  -2.022 -10.294   7.715
  268    HA   TYR  32           HA       TYR  32  -3.234 -11.703  10.064
  269   1HB   TYR  32          2HB       TYR  32  -4.888  -9.799   9.939
  270   2HB   TYR  32          3HB       TYR  32  -3.256  -9.452  10.485
  271    HD1  TYR  32           HD2      TYR  32  -5.566  -9.180   7.587
  272    HD2  TYR  32           HD1      TYR  32  -1.782  -7.979   9.273
  273    HE1  TYR  32           HE2      TYR  32  -5.080  -7.810   5.580
  274    HE2  TYR  32           HE1      TYR  32  -1.318  -6.622   7.254
  275    HH   TYR  32           HH       TYR  32  -3.603  -5.730   5.200
  276    H    HIS  33           HN       HIS  33  -3.333 -11.929   6.657
  277    HA   HIS  33           HA       HIS  33  -4.734 -13.011   5.241
  278   1HB   HIS  33          2HB       HIS  33  -3.968 -14.896   6.262
  279   2HB   HIS  33          3HB       HIS  33  -4.716 -14.537   7.798
  280    HD1  HIS  33           HD1      HIS  33  -6.171 -16.574   8.279
  281    HD2  HIS  33           HD2      HIS  33  -6.505 -15.060   4.371
  282    HE1  HIS  33           HE1      HIS  33  -8.162 -17.760   7.213
  283    HA   PRO  34           HA       PRO  34  -8.423 -10.581   6.685
  284   1HB   PRO  34          2HB       PRO  34  -8.668  -8.897   4.559
  285   2HB   PRO  34          3HB       PRO  34  -7.426  -8.646   5.811
  286   1HG   PRO  34          2HG       PRO  34  -7.113  -9.995   3.108
  287   2HG   PRO  34          3HG       PRO  34  -6.079  -8.741   3.809
  288   1HD   PRO  34          2HD       PRO  34  -5.472 -11.388   3.963
  289   2HD   PRO  34          3HD       PRO  34  -5.072 -10.278   5.305
  290    H    ASP  35           HN       ASP  35 -10.503 -11.344   6.242
  291    HA   ASP  35           HA       ASP  35 -11.343 -12.459   3.733
  292   1HB   ASP  35          2HB       ASP  35  -9.600 -14.150   4.306
  293   2HB   ASP  35          3HB       ASP  35 -10.424 -14.504   5.820
  294    H    ARG  36           HN       ARG  36 -11.554 -13.328   7.152
  295    HA   ARG  36           HA       ARG  36 -14.448 -12.588   7.208
  296   1HB   ARG  36          2HB       ARG  36 -14.742 -14.458   8.867
  297   2HB   ARG  36          3HB       ARG  36 -14.556 -14.834   7.159
  298   1HG   ARG  36          2HG       ARG  36 -12.065 -15.381   7.692
  299   2HG   ARG  36          3HG       ARG  36 -12.571 -15.357   9.377
  300   1HD   ARG  36          2HD       ARG  36 -12.684 -17.646   8.615
  301   2HD   ARG  36          3HD       ARG  36 -14.317 -17.063   8.877
  302    HE   ARG  36           HE       ARG  36 -14.780 -17.193   6.589
  303   1HH1  ARG  36          2HH2      ARG  36 -11.256 -17.562   7.011
  304   2HH1  ARG  36          1HH2      ARG  36 -11.009 -17.339   5.278
  305   1HH2  ARG  36          2HH1      ARG  36 -14.389 -17.216   4.494
  306   2HH2  ARG  36          1HH1      ARG  36 -12.761 -17.071   3.882
  307    H    ASN  37           HN       ASN  37 -12.283 -13.557   9.888
  308    HA   ASN  37           HA       ASN  37 -11.384 -12.365  11.614
  309   1HB   ASN  37          2HB       ASN  37  -9.840 -11.772   9.892
  310   2HB   ASN  37          3HB       ASN  37 -10.952 -10.597   9.202
  311   1HD2  ASN  37          2HD2      ASN  37  -8.601  -9.470  12.364
  312   2HD2  ASN  37          1HD2      ASN  37  -8.813 -11.172  12.001
  313    H    GLN  38           HN       GLN  38 -14.258 -12.139  11.463
  314    HA   GLN  38           HA       GLN  38 -14.946  -9.353  11.939
  315   1HB   GLN  38          2HB       GLN  38 -17.187 -10.189  12.447
  316   2HB   GLN  38          3HB       GLN  38 -16.601 -10.662  10.857
  317   1HG   GLN  38          2HG       GLN  38 -16.389 -12.586  13.220
  318   2HG   GLN  38          3HG       GLN  38 -17.888 -12.391  12.323
  319   1HE2  GLN  38          2HE2      GLN  38 -16.767 -13.906   9.294
  320   2HE2  GLN  38          1HE2      GLN  38 -17.862 -12.754  10.006
  321    H    GLY  39           HN       GLY  39 -13.187  -9.217  13.602
  322   1HA   GLY  39          1HA       GLY  39 -14.407  -9.195  16.268
  323   2HA   GLY  39          2HA       GLY  39 -13.065 -10.348  16.093
  324    H    ASP  40           HN       ASP  40 -11.289  -9.143  14.477
  325    HA   ASP  40           HA       ASP  40  -9.991  -7.435  16.231
  326   1HB   ASP  40          2HB       ASP  40  -8.816  -8.839  14.645
  327   2HB   ASP  40          3HB       ASP  40  -9.389  -7.862  13.282
  328    H    LYS  41           HN       LYS  41 -10.566  -6.364  12.918
  329    HA   LYS  41           HA       LYS  41 -11.868  -4.642  12.105
  330   1HB   LYS  41          2HB       LYS  41 -12.897  -4.257  14.330
  331   2HB   LYS  41          3HB       LYS  41 -11.570  -3.126  14.700
  332   1HG   LYS  41          2HG       LYS  41 -12.203  -1.806  12.686
  333   2HG   LYS  41          3HG       LYS  41 -13.624  -2.811  12.453
  334   1HD   LYS  41          2HD       LYS  41 -12.978  -1.300  15.042
  335   2HD   LYS  41          3HD       LYS  41 -13.837  -0.551  13.717
  336   1HE   LYS  41          2HE       LYS  41 -15.233  -1.484  15.708
  337   2HE   LYS  41          3HE       LYS  41 -15.802  -1.667  14.060
  338   1HZ   LYS  41          2HZ       LYS  41 -14.929  -3.884  14.054
  339   2HZ   LYS  41          3HZ       LYS  41 -14.524  -3.785  15.657
  340   3HZ   LYS  41          1HZ       LYS  41 -16.090  -3.712  15.162
  341    H    GLU  42           HN       GLU  42  -8.784  -4.238  13.981
  342    HA   GLU  42           HA       GLU  42  -8.196  -1.798  12.578
  343   1HB   GLU  42          2HB       GLU  42  -5.916  -1.960  13.298
  344   2HB   GLU  42          3HB       GLU  42  -7.041  -2.136  14.645
  345   1HG   GLU  42          2HG       GLU  42  -6.245  -4.157  15.158
  346   2HG   GLU  42          3HG       GLU  42  -6.354  -4.739  13.508
  347    H    ALA  43           HN       ALA  43  -7.456  -5.217  11.922
  348    HA   ALA  43           HA       ALA  43  -5.886  -4.940   9.762
  349   1HB   ALA  43          3HB       ALA  43  -6.542  -7.142  10.698
  350   2HB   ALA  43          1HB       ALA  43  -8.194  -6.925  10.081
  351   3HB   ALA  43          2HB       ALA  43  -6.837  -7.115   8.951
  352    H    GLU  44           HN       GLU  44  -9.398  -4.496   9.875
  353    HA   GLU  44           HA       GLU  44  -9.880  -4.434   7.073
  354   1HB   GLU  44          2HB       GLU  44 -11.461  -4.717   9.145
  355   2HB   GLU  44          3HB       GLU  44 -11.499  -2.962   9.217
  356   1HG   GLU  44          2HG       GLU  44 -12.254  -4.586   6.740
  357   2HG   GLU  44          3HG       GLU  44 -13.403  -4.104   8.002
  358    H    ALA  45           HN       ALA  45  -9.507  -1.793   9.486
  359    HA   ALA  45           HA       ALA  45  -9.565   0.254   7.595
  360   1HB   ALA  45          1HB       ALA  45  -9.858   0.536  10.142
  361   2HB   ALA  45          2HB       ALA  45  -8.163   0.100  10.362
  362   3HB   ALA  45          3HB       ALA  45  -8.578   1.618   9.547
  363    H    LYS  46           HN       LYS  46  -6.897  -1.612   8.957
  364    HA   LYS  46           HA       LYS  46  -4.779  -0.088   7.805
  365   1HB   LYS  46          2HB       LYS  46  -4.686  -1.852   9.661
  366   2HB   LYS  46          3HB       LYS  46  -4.720  -3.078   8.389
  367   1HG   LYS  46          2HG       LYS  46  -2.706  -2.001   7.368
  368   2HG   LYS  46          3HG       LYS  46  -2.695  -0.818   8.675
  369   1HD   LYS  46          2HD       LYS  46  -2.433  -3.828   9.088
  370   2HD   LYS  46          3HD       LYS  46  -1.048  -2.767   8.879
  371   1HE   LYS  46          2HE       LYS  46  -3.074  -2.566  11.171
  372   2HE   LYS  46          3HE       LYS  46  -1.467  -3.292  11.244
  373   1HZ   LYS  46          3HZ       LYS  46  -0.543  -1.097  10.674
  374   2HZ   LYS  46          1HZ       LYS  46  -2.014  -0.424  10.792
  375   3HZ   LYS  46          2HZ       LYS  46  -1.374  -1.113  12.115
  376    H    PHE  47           HN       PHE  47  -6.910  -2.710   6.620
  377    HA   PHE  47           HA       PHE  47  -5.486  -3.120   4.168
  378   1HB   PHE  47          2HB       PHE  47  -7.504  -4.518   5.184
  379   2HB   PHE  47          3HB       PHE  47  -8.471  -3.411   4.228
  380    HD1  PHE  47          2HD       PHE  47  -8.055  -3.282   1.702
  381    HD2  PHE  47          1HD       PHE  47  -5.984  -6.121   4.182
  382    HE1  PHE  47          2HE       PHE  47  -7.284  -4.480  -0.318
  383    HE2  PHE  47          1HE       PHE  47  -5.193  -7.313   2.151
  384    HZ   PHE  47           HZ       PHE  47  -5.928  -6.562  -0.094
  385    H    LYS  48           HN       LYS  48  -7.864  -0.644   5.209
  386    HA   LYS  48           HA       LYS  48  -8.363   0.294   2.606
  387   1HB   LYS  48          2HB       LYS  48  -8.340   1.943   5.143
  388   2HB   LYS  48          3HB       LYS  48  -8.920   2.487   3.570
  389   1HG   LYS  48          2HG       LYS  48 -10.619   0.774   3.491
  390   2HG   LYS  48          3HG       LYS  48  -9.925  -0.013   4.905
  391   1HD   LYS  48          2HD       LYS  48 -10.614   1.773   6.333
  392   2HD   LYS  48          3HD       LYS  48 -10.781   2.919   5.007
  393   1HE   LYS  48          2HE       LYS  48 -12.954   2.288   5.992
  394   2HE   LYS  48          3HE       LYS  48 -12.848   1.968   4.256
  395   1HZ   LYS  48          3HZ       LYS  48 -12.467  -0.140   6.307
  396   2HZ   LYS  48          1HZ       LYS  48 -13.884   0.210   5.602
  397   3HZ   LYS  48          2HZ       LYS  48 -12.624  -0.356   4.708
  398    H    GLU  49           HN       GLU  49  -5.916   1.264   5.049
  399    HA   GLU  49           HA       GLU  49  -4.569   3.230   3.543
  400   1HB   GLU  49          2HB       GLU  49  -3.398   1.242   5.546
  401   2HB   GLU  49          3HB       GLU  49  -2.689   2.777   5.030
  402   1HG   GLU  49          2HG       GLU  49  -4.617   3.999   6.003
  403   2HG   GLU  49          3HG       GLU  49  -5.289   2.471   6.595
  404    H    ILE  50           HN       ILE  50  -3.939  -0.310   3.805
  405    HA   ILE  50           HA       ILE  50  -1.673  -0.245   2.077
  406    HB   ILE  50           HB       ILE  50  -3.503  -2.592   2.632
  407   1HG1  ILE  50          2HG1      ILE  50  -0.868  -2.065   4.067
  408   2HG1  ILE  50          3HG1      ILE  50  -2.338  -1.387   4.707
  409   1HG2  ILE  50          1HG2      ILE  50  -0.587  -2.422   1.713
  410   2HG2  ILE  50          2HG2      ILE  50  -1.409  -3.933   2.129
  411   3HG2  ILE  50          3HG2      ILE  50  -1.972  -2.987   0.764
  412   1HD1  ILE  50          3HD1      ILE  50  -3.403  -3.658   4.683
  413   2HD1  ILE  50          1HD1      ILE  50  -1.872  -4.344   4.176
  414   3HD1  ILE  50          2HD1      ILE  50  -2.007  -3.572   5.760
  415    H    LYS  51           HN       LYS  51  -5.223  -0.610   1.395
  416    HA   LYS  51           HA       LYS  51  -4.851  -1.257  -1.365
  417   1HB   LYS  51          2HB       LYS  51  -6.835  -1.798  -0.219
  418   2HB   LYS  51          3HB       LYS  51  -7.157  -0.155   0.292
  419   1HG   LYS  51          2HG       LYS  51  -6.876  -0.614  -2.676
  420   2HG   LYS  51          3HG       LYS  51  -8.275  -1.312  -1.895
  421   1HD   LYS  51          2HD       LYS  51  -9.337   0.675  -1.666
  422   2HD   LYS  51          3HD       LYS  51  -7.931   1.442  -0.943
  423   1HE   LYS  51          2HE       LYS  51  -8.480   2.657  -2.916
  424   2HE   LYS  51          3HE       LYS  51  -6.935   1.849  -3.164
  425   1HZ   LYS  51          3HZ       LYS  51  -8.267   0.120  -4.412
  426   2HZ   LYS  51          1HZ       LYS  51  -9.553   1.147  -4.314
  427   3HZ   LYS  51          2HZ       LYS  51  -8.219   1.644  -5.075
  428    H    GLU  52           HN       GLU  52  -5.418   1.831   0.392
  429    HA   GLU  52           HA       GLU  52  -5.586   3.456  -1.920
  430   1HB   GLU  52          2HB       GLU  52  -6.263   4.024   0.424
  431   2HB   GLU  52          3HB       GLU  52  -4.573   4.268   0.851
  432   1HG   GLU  52          2HG       GLU  52  -4.362   6.184  -0.485
  433   2HG   GLU  52          3HG       GLU  52  -5.660   5.707  -1.585
  434    H    ALA  53           HN       ALA  53  -2.855   2.639   0.206
  435    HA   ALA  53           HA       ALA  53  -0.729   3.883  -1.129
  436   1HB   ALA  53          3HB       ALA  53  -0.900   1.148   0.182
  437   2HB   ALA  53          1HB       ALA  53   0.612   1.970  -0.232
  438   3HB   ALA  53          2HB       ALA  53  -0.483   2.653   1.009
  439    H    TYR  54           HN       TYR  54  -2.074   0.575  -1.719
  440    HA   TYR  54           HA       TYR  54  -0.365  -0.097  -3.838
  441   1HB   TYR  54          2HB       TYR  54  -2.000  -1.564  -2.610
  442   2HB   TYR  54          3HB       TYR  54  -3.304  -0.865  -3.557
  443    HD1  TYR  54           HD2      TYR  54  -3.443  -1.294  -6.034
  444    HD2  TYR  54           HD1      TYR  54  -0.433  -3.147  -3.567
  445    HE1  TYR  54           HE2      TYR  54  -3.111  -3.051  -7.741
  446    HE2  TYR  54           HE1      TYR  54  -0.331  -5.063  -5.125
  447    HH   TYR  54           HH       TYR  54  -1.792  -4.814  -8.365
  448    H    GLU  55           HN       GLU  55  -3.472   1.737  -3.890
  449    HA   GLU  55           HA       GLU  55  -3.782   1.824  -6.678
  450   1HB   GLU  55          2HB       GLU  55  -5.642   1.807  -5.398
  451   2HB   GLU  55          3HB       GLU  55  -4.983   2.871  -4.161
  452   1HG   GLU  55          2HG       GLU  55  -5.298   4.768  -5.256
  453   2HG   GLU  55          3HG       GLU  55  -5.529   3.941  -6.836
  454    H    VAL  56           HN       VAL  56  -2.397   4.100  -4.258
  455    HA   VAL  56           HA       VAL  56  -1.827   6.158  -6.227
  456    HB   VAL  56           HB       VAL  56  -0.929   5.718  -3.350
  457   1HG1  VAL  56          2HG1      VAL  56  -0.344   8.071  -5.206
  458   2HG1  VAL  56          3HG1      VAL  56  -0.151   8.107  -3.441
  459   3HG1  VAL  56          1HG1      VAL  56   0.851   7.025  -4.406
  460   1HG2  VAL  56          2HG2      VAL  56  -3.326   6.322  -3.746
  461   2HG2  VAL  56          3HG2      VAL  56  -2.431   7.617  -2.924
  462   3HG2  VAL  56          1HG2      VAL  56  -2.790   7.749  -4.661
  463    H    LEU  57           HN       LEU  57  -0.024   3.341  -4.943
  464    HA   LEU  57           HA       LEU  57   2.385   4.139  -6.466
  465   1HB   LEU  57          2HB       LEU  57   1.930   1.849  -4.516
  466   2HB   LEU  57          3HB       LEU  57   3.481   2.421  -5.163
  467    HG   LEU  57           HG       LEU  57   1.729   3.950  -3.188
  468   1HD1  LEU  57          1HD1      LEU  57   2.849   1.947  -2.244
  469   2HD1  LEU  57          2HD1      LEU  57   4.409   2.572  -2.833
  470   3HD1  LEU  57          3HD1      LEU  57   3.505   3.460  -1.595
  471   1HD2  LEU  57          2HD2      LEU  57   4.407   4.640  -4.442
  472   2HD2  LEU  57          3HD2      LEU  57   2.867   5.522  -4.556
  473   3HD2  LEU  57          1HD2      LEU  57   3.719   5.444  -3.012
  474    H    THR  58           HN       THR  58   2.871   1.371  -6.635
  475    HA   THR  58           HA       THR  58   2.879  -0.372  -7.976
  476    HB   THR  58           HB       THR  58   0.920  -1.319  -9.085
  477    HG1  THR  58          1HG       THR  58  -0.452   0.756  -7.712
  478   1HG2  THR  58          3HG2      THR  58   1.708  -2.015  -6.855
  479   2HG2  THR  58          1HG2      THR  58   0.717  -0.754  -6.092
  480   3HG2  THR  58          2HG2      THR  58  -0.054  -2.082  -6.977
  481    H    ASP  59           HN       ASP  59   1.844   2.718  -9.217
  482    HA   ASP  59           HA       ASP  59   3.470   2.263 -11.587
  483   1HB   ASP  59          2HB       ASP  59   2.079   3.742 -12.662
  484   2HB   ASP  59          3HB       ASP  59   0.988   2.523 -12.003
  485    H    SER  60           HN       SER  60   4.225   4.448 -12.292
  486    HA   SER  60           HA       SER  60   5.513   5.879 -10.039
  487   1HB   SER  60          2HB       SER  60   6.026   5.496 -12.979
  488   2HB   SER  60          3HB       SER  60   6.444   7.075 -12.328
  489    HG   SER  60           HG       SER  60   7.669   6.102 -10.735
  490    H    GLN  61           HN       GLN  61   2.815   6.235 -12.225
  491    HA   GLN  61           HA       GLN  61   3.156   8.985 -12.935
  492   1HB   GLN  61          2HB       GLN  61   1.872   7.535 -14.390
  493   2HB   GLN  61          3HB       GLN  61   0.807   7.033 -13.082
  494   1HG   GLN  61          2HG       GLN  61  -0.444   8.901 -13.136
  495   2HG   GLN  61          3HG       GLN  61   0.940   9.970 -13.386
  496   1HE2  GLN  61          2HE2      GLN  61  -1.261   9.160 -16.629
  497   2HE2  GLN  61          1HE2      GLN  61  -1.759   8.633 -15.024
  498    H    LYS  62           HN       LYS  62   0.848   7.263 -10.776
  499    HA   LYS  62           HA       LYS  62  -0.437   9.715  -9.987
  500   1HB   LYS  62          2HB       LYS  62  -0.294   7.004  -8.660
  501   2HB   LYS  62          3HB       LYS  62  -1.435   8.276  -8.183
  502   1HG   LYS  62          2HG       LYS  62  -2.548   8.138 -10.359
  503   2HG   LYS  62          3HG       LYS  62  -1.308   7.008 -10.966
  504   1HD   LYS  62          2HD       LYS  62  -1.811   5.419  -9.172
  505   2HD   LYS  62          3HD       LYS  62  -3.145   6.421  -8.592
  506   1HE   LYS  62          2HE       LYS  62  -2.889   5.098 -11.349
  507   2HE   LYS  62          3HE       LYS  62  -3.830   4.477  -9.988
  508   1HZ   LYS  62          2HZ       LYS  62  -5.213   6.457 -10.111
  509   2HZ   LYS  62          3HZ       LYS  62  -4.387   6.977 -11.455
  510   3HZ   LYS  62          1HZ       LYS  62  -5.230   5.579 -11.500
  511    H    ARG  63           HN       ARG  63   2.100   7.717  -8.646
  512    HA   ARG  63           HA       ARG  63   2.206   8.996  -6.105
  513   1HB   ARG  63          2HB       ARG  63   2.876   6.784  -6.283
  514   2HB   ARG  63          3HB       ARG  63   4.151   7.138  -7.449
  515   1HG   ARG  63          2HG       ARG  63   5.069   6.769  -5.174
  516   2HG   ARG  63          3HG       ARG  63   5.443   8.353  -5.798
  517   1HD   ARG  63          2HD       ARG  63   3.474   9.285  -4.366
  518   2HD   ARG  63          3HD       ARG  63   3.253   7.659  -3.754
  519    HE   ARG  63           HE       ARG  63   4.897   8.148  -2.217
  520   1HH1  ARG  63          2HH2      ARG  63   5.314  10.374  -4.967
  521   2HH1  ARG  63          1HH2      ARG  63   6.790  11.038  -4.322
  522   1HH2  ARG  63          2HH1      ARG  63   6.528   9.162  -1.319
  523   2HH2  ARG  63          1HH1      ARG  63   7.370  10.512  -2.065
  524    H    ALA  64           HN       ALA  64   4.329   9.435  -9.038
  525    HA   ALA  64           HA       ALA  64   5.776  11.574  -7.739
  526   1HB   ALA  64          1HB       ALA  64   5.775  10.567 -10.616
  527   2HB   ALA  64          2HB       ALA  64   6.779  11.902 -10.021
  528   3HB   ALA  64          3HB       ALA  64   7.011  10.291  -9.353
  529    H    ALA  65           HN       ALA  65   2.918  11.241  -9.817
  530    HA   ALA  65           HA       ALA  65   2.716  13.886 -10.629
  531   1HB   ALA  65          3HB       ALA  65   0.417  12.026  -9.917
  532   2HB   ALA  65          1HB       ALA  65   0.245  13.606 -10.630
  533   3HB   ALA  65          2HB       ALA  65   1.082  12.368 -11.545
  534    H    TYR  66           HN       TYR  66   1.430  12.348  -7.579
  535    HA   TYR  66           HA       TYR  66   0.303  14.617  -6.463
  536   1HB   TYR  66          2HB       TYR  66   0.455  12.331  -5.349
  537   2HB   TYR  66          3HB       TYR  66   2.124  12.688  -4.931
  538    HD1  TYR  66           HD1      TYR  66   2.591  14.817  -3.470
  539    HD2  TYR  66           HD2      TYR  66  -1.310  13.004  -3.842
  540    HE1  TYR  66           HE1      TYR  66   1.682  16.408  -1.829
  541    HE2  TYR  66           HE2      TYR  66  -2.163  14.504  -2.091
  542    HH   TYR  66           HH       TYR  66  -1.670  16.212  -0.657
  543    H    ASP  67           HN       ASP  67   3.768  13.865  -6.569
  544    HA   ASP  67           HA       ASP  67   4.543  16.245  -5.133
  545   1HB   ASP  67          2HB       ASP  67   5.969  14.219  -5.195
  546   2HB   ASP  67          3HB       ASP  67   6.119  14.369  -6.929
  547    H    GLN  68           HN       GLN  68   4.340  15.414  -8.652
  548    HA   GLN  68           HA       GLN  68   5.185  18.131  -9.370
  549   1HB   GLN  68          2HB       GLN  68   5.429  15.443 -10.512
  550   2HB   GLN  68          3HB       GLN  68   4.617  16.497 -11.629
  551   1HG   GLN  68          2HG       GLN  68   6.491  18.196 -11.237
  552   2HG   GLN  68          3HG       GLN  68   7.344  16.925 -10.359
  553   1HE2  GLN  68          2HE2      GLN  68   6.977  16.824 -14.472
  554   2HE2  GLN  68          1HE2      GLN  68   5.987  17.906 -13.492
  555    H    TYR  69           HN       TYR  69   2.619  15.939 -10.665
  556    HA   TYR  69           HA       TYR  69   0.790  18.283 -10.921
  557   1HB   TYR  69          2HB       TYR  69   0.178  16.984 -13.175
  558   2HB   TYR  69          3HB       TYR  69   1.451  18.167 -13.067
  559    HD1  TYR  69           HD1      TYR  69   1.048  14.460 -12.725
  560    HD2  TYR  69           HD2      TYR  69   3.359  17.709 -14.342
  561    HE1  TYR  69           HE1      TYR  69   2.536  12.843 -13.811
  562    HE2  TYR  69           HE2      TYR  69   4.809  16.077 -15.504
  563    HH   TYR  69           HH       TYR  69   5.093  13.761 -16.077
  564    H    GLY  70           HN       GLY  70   0.275  16.834  -8.762
  565   1HA   GLY  70          1HA       GLY  70  -0.696  14.350  -8.560
  566   2HA   GLY  70          2HA       GLY  70  -1.441  15.702  -7.718
  567    H    HIS  71           HN       HIS  71  -1.948  13.135  -9.821
  568    HA   HIS  71           HA       HIS  71  -3.614  12.414 -11.139
  569   1HB   HIS  71          2HB       HIS  71  -4.608  12.935  -8.721
  570   2HB   HIS  71          3HB       HIS  71  -5.614  14.061  -9.635
  571    HD1  HIS  71           HD1      HIS  71  -5.195  10.405  -8.887
  572    HD2  HIS  71           HD2      HIS  71  -7.433  13.024 -11.307
  573    HE1  HIS  71           HE1      HIS  71  -7.306   9.147  -9.550
  574    H    ALA  72           HN       ALA  72  -2.281  14.120 -12.415
  575    HA   ALA  72           HA       ALA  72  -1.958  15.685 -13.914
  576   1HB   ALA  72          2HB       ALA  72  -3.597  14.377 -15.218
  577   2HB   ALA  72          3HB       ALA  72  -4.912  15.380 -14.556
  578   3HB   ALA  72          1HB       ALA  72  -3.682  16.097 -15.619
  579    H    ALA  73           HN       ALA  73  -3.724  16.452 -11.254
  580    HA   ALA  73           HA       ALA  73  -4.009  18.371 -10.127
  581   1HB   ALA  73          2HB       ALA  73  -1.304  18.578 -11.421
  582   2HB   ALA  73          3HB       ALA  73  -1.832  19.710 -10.141
  583   3HB   ALA  73          1HB       ALA  73  -1.785  18.009  -9.794
  584    H    PHE  74           HN       PHE  74  -5.609  18.381 -11.948
  585    HA   PHE  74           HA       PHE  74  -7.025  19.539 -13.271
  586   1HB   PHE  74          2HB       PHE  74  -6.855  20.741 -11.000
  587   2HB   PHE  74          3HB       PHE  74  -5.916  21.949 -11.849
  588    HD1  PHE  74          1HD       PHE  74  -8.006  21.556 -14.450
  589    HD2  PHE  74          2HD       PHE  74  -8.309  22.619 -10.270
  590    HE1  PHE  74          1HE       PHE  74 -10.256  22.399 -14.828
  591    HE2  PHE  74          2HE       PHE  74 -10.521  23.649 -10.727
  592    HZ   PHE  74           HZ       PHE  74 -11.549  23.436 -12.974
  593    H    GLU  75           HN       GLU  75  -5.038  18.818 -14.710
  594    HA   GLU  75           HA       GLU  75  -4.621  21.071 -16.568
  595   1HB   GLU  75          2HB       GLU  75  -2.585  19.929 -15.459
  596   2HB   GLU  75          3HB       GLU  75  -2.974  18.523 -16.483
  597   1HG   GLU  75          2HG       GLU  75  -1.186  19.983 -17.385
  598   2HG   GLU  75          3HG       GLU  75  -2.566  19.893 -18.481
  599    H    GLN  76           HN       GLN  76  -6.973  19.211 -16.185
  600    HA   GLN  76           HA       GLN  76  -7.247  17.412 -18.358
  601   1HB   GLN  76          2HB       GLN  76  -9.675  18.449 -18.079
  602   2HB   GLN  76          3HB       GLN  76  -9.071  17.250 -16.948
  603   1HG   GLN  76          2HG       GLN  76  -8.708  18.842 -15.230
  604   2HG   GLN  76          3HG       GLN  76  -8.784  20.213 -16.372
  605   1HE2  GLN  76          2HE2      GLN  76 -12.428  19.971 -16.755
  606   2HE2  GLN  76          1HE2      GLN  76 -10.984  20.114 -17.737
   
  No H/Q in entry =         606
  Start of MODEL    7
    1   1H    ALA   2          2HN       ALA   2  -0.362  13.023   8.658
    2   2H    ALA   2          3HN       ALA   2  -1.848  13.735   8.853
    3   3H    ALA   2          1HN       ALA   2  -1.660  12.463   7.796
    4    HA   ALA   2           HA       ALA   2  -1.754  14.342   6.470
    5   1HB   ALA   2          3HB       ALA   2   0.542  15.360   8.184
    6   2HB   ALA   2          1HB       ALA   2  -0.012  16.100   6.667
    7   3HB   ALA   2          2HB       ALA   2  -1.089  16.055   8.071
    8    H    LYS   3           HN       LYS   3  -0.320  14.638   4.678
    9    HA   LYS   3           HA       LYS   3   0.599  13.736   2.960
   10   1HB   LYS   3          2HB       LYS   3   2.698  12.620   2.882
   11   2HB   LYS   3          3HB       LYS   3   2.712  14.180   3.708
   12   1HG   LYS   3          2HG       LYS   3   3.032  13.091   5.861
   13   2HG   LYS   3          3HG       LYS   3   2.652  11.505   5.179
   14   1HD   LYS   3          2HD       LYS   3   5.009  11.676   5.544
   15   2HD   LYS   3          3HD       LYS   3   4.701  11.522   3.816
   16   1HE   LYS   3          2HE       LYS   3   4.979  14.292   5.079
   17   2HE   LYS   3          3HE       LYS   3   6.415  13.304   4.818
   18   1HZ   LYS   3          2HZ       LYS   3   5.871  13.217   2.474
   19   2HZ   LYS   3          3HZ       LYS   3   4.596  14.226   2.654
   20   3HZ   LYS   3          1HZ       LYS   3   6.115  14.740   3.049
   21    H    GLN   4           HN       GLN   4  -0.440  12.366   1.862
   22    HA   GLN   4           HA       GLN   4  -1.432   9.815   2.890
   23   1HB   GLN   4          2HB       GLN   4  -2.579  11.078   1.150
   24   2HB   GLN   4          3HB       GLN   4  -1.196  10.872   0.049
   25   1HG   GLN   4          2HG       GLN   4  -1.540   8.396   0.137
   26   2HG   GLN   4          3HG       GLN   4  -2.884   8.638   1.273
   27   1HE2  GLN   4          2HE2      GLN   4  -4.961   8.493  -1.612
   28   2HE2  GLN   4          1HE2      GLN   4  -4.542   7.827  -0.051
   29    H    ASP   5           HN       ASP   5   0.201   8.533   3.556
   30    HA   ASP   5           HA       ASP   5   2.726   8.343   2.057
   31   1HB   ASP   5          2HB       ASP   5   2.418   8.355   4.576
   32   2HB   ASP   5          3HB       ASP   5   1.943   6.663   4.459
   33    H    TYR   6           HN       TYR   6   3.518   5.948   1.873
   34    HA   TYR   6           HA       TYR   6   1.708   3.949   1.069
   35   1HB   TYR   6          2HB       TYR   6   2.389   4.005  -1.446
   36   2HB   TYR   6          3HB       TYR   6   1.072   5.005  -0.864
   37    HD1  TYR   6           HD1      TYR   6   1.146   7.414  -0.812
   38    HD2  TYR   6           HD2      TYR   6   4.495   5.101  -2.229
   39    HE1  TYR   6           HE1      TYR   6   1.970   9.369  -2.021
   40    HE2  TYR   6           HE2      TYR   6   5.214   7.028  -3.619
   41    HH   TYR   6           HH       TYR   6   3.077   9.751  -4.000
   42    H    TYR   7           HN       TYR   7   4.918   5.345   0.294
   43    HA   TYR   7           HA       TYR   7   6.144   2.754  -0.018
   44   1HB   TYR   7          2HB       TYR   7   8.301   4.089   0.151
   45   2HB   TYR   7          3HB       TYR   7   7.162   4.444  -1.146
   46    HD1  TYR   7           HD1      TYR   7   8.153   5.687   2.289
   47    HD2  TYR   7           HD2      TYR   7   6.573   6.711  -1.567
   48    HE1  TYR   7           HE1      TYR   7   7.040   7.642   3.259
   49    HE2  TYR   7           HE2      TYR   7   5.418   8.687  -0.567
   50    HH   TYR   7           HH       TYR   7   5.170   8.969   2.941
   51    H    GLU   8           HN       GLU   8   5.641   4.853   2.879
   52    HA   GLU   8           HA       GLU   8   7.390   3.178   4.451
   53   1HB   GLU   8          2HB       GLU   8   6.543   5.868   4.530
   54   2HB   GLU   8          3HB       GLU   8   5.760   5.123   5.907
   55   1HG   GLU   8          2HG       GLU   8   8.739   4.686   5.400
   56   2HG   GLU   8          3HG       GLU   8   8.157   6.208   6.034
   57    H    ILE   9           HN       ILE   9   3.935   3.737   3.775
   58    HA   ILE   9           HA       ILE   9   2.885   2.037   5.705
   59    HB   ILE   9           HB       ILE   9   1.848   2.382   2.872
   60   1HG1  ILE   9          2HG1      ILE   9   1.393   3.955   5.445
   61   2HG1  ILE   9          3HG1      ILE   9   2.104   4.517   3.929
   62   1HG2  ILE   9          1HG2      ILE   9   0.870   0.420   4.087
   63   2HG2  ILE   9          2HG2      ILE   9   0.392   1.513   5.402
   64   3HG2  ILE   9          3HG2      ILE   9  -0.312   1.679   3.776
   65   1HD1  ILE   9          2HD1      ILE   9  -0.117   4.081   2.803
   66   2HD1  ILE   9          3HD1      ILE   9  -0.797   3.802   4.427
   67   3HD1  ILE   9          1HD1      ILE   9  -0.105   5.379   4.016
   68    H    LEU  10           HN       LEU  10   3.923   1.175   2.288
   69    HA   LEU  10           HA       LEU  10   3.604  -1.642   2.733
   70   1HB   LEU  10          2HB       LEU  10   4.858   0.187   0.667
   71   2HB   LEU  10          3HB       LEU  10   5.152  -1.543   0.594
   72    HG   LEU  10           HG       LEU  10   3.219  -0.591  -0.799
   73   1HD1  LEU  10          1HD1      LEU  10   2.683  -2.965   1.022
   74   2HD1  LEU  10          2HD1      LEU  10   1.795  -2.571  -0.458
   75   3HD1  LEU  10          3HD1      LEU  10   3.502  -2.981  -0.559
   76   1HD2  LEU  10          2HD2      LEU  10   2.069   0.755   0.913
   77   2HD2  LEU  10          3HD2      LEU  10   1.024  -0.508   0.249
   78   3HD2  LEU  10          1HD2      LEU  10   1.719  -0.704   1.855
   79    H    GLY  11           HN       GLY  11   6.286   0.679   3.124
   80   1HA   GLY  11          1HA       GLY  11   7.990   0.552   4.679
   81   2HA   GLY  11          2HA       GLY  11   7.491  -1.098   5.137
   82    H    VAL  12           HN       VAL  12   8.559   0.726   2.271
   83    HA   VAL  12           HA       VAL  12  10.388  -1.438   1.431
   84    HB   VAL  12           HB       VAL  12   8.027  -1.927   0.806
   85   1HG1  VAL  12          2HG1      VAL  12   7.345   0.484   0.390
   86   2HG1  VAL  12          3HG1      VAL  12   8.194   0.381  -1.164
   87   3HG1  VAL  12          1HG1      VAL  12   6.818  -0.685  -0.804
   88   1HG2  VAL  12          2HG2      VAL  12   9.788  -2.935  -0.455
   89   2HG2  VAL  12          3HG2      VAL  12   8.365  -2.600  -1.457
   90   3HG2  VAL  12          1HG2      VAL  12   9.799  -1.569  -1.596
   91    H    SER  13           HN       SER  13  11.401  -0.726  -0.683
   92    HA   SER  13           HA       SER  13  12.736   1.682  -0.237
   93   1HB   SER  13          2HB       SER  13  13.125  -0.446  -1.927
   94   2HB   SER  13          3HB       SER  13  12.748   0.838  -3.074
   95    HG   SER  13           HG       SER  13  15.007   0.571  -2.381
   96    H    LYS  14           HN       LYS  14  12.885   3.668  -1.663
   97    HA   LYS  14           HA       LYS  14  10.851   5.152  -0.753
   98   1HB   LYS  14          2HB       LYS  14  12.796   5.644  -3.043
   99   2HB   LYS  14          3HB       LYS  14  11.705   6.887  -2.434
  100   1HG   LYS  14          2HG       LYS  14  12.610   6.725  -0.197
  101   2HG   LYS  14          3HG       LYS  14  13.748   5.448  -0.676
  102   1HD   LYS  14          2HD       LYS  14  14.848   6.943  -2.269
  103   2HD   LYS  14          3HD       LYS  14  13.654   8.201  -1.990
  104   1HE   LYS  14          2HE       LYS  14  15.747   7.208  -0.005
  105   2HE   LYS  14          3HE       LYS  14  15.710   8.765  -0.850
  106   1HZ   LYS  14          1HZ       LYS  14  13.532   9.138   0.365
  107   2HZ   LYS  14          2HZ       LYS  14  13.924   7.831   1.286
  108   3HZ   LYS  14          3HZ       LYS  14  14.885   9.147   1.294
  109    H    THR  15           HN       THR  15  11.095   3.878  -4.088
  110    HA   THR  15           HA       THR  15   8.171   4.131  -4.338
  111    HB   THR  15           HB       THR  15   8.358   5.281  -6.532
  112    HG1  THR  15          1HG       THR  15  10.279   5.376  -7.354
  113   1HG2  THR  15          2HG2      THR  15   8.024   6.516  -4.313
  114   2HG2  THR  15          3HG2      THR  15   9.760   6.903  -4.364
  115   3HG2  THR  15          1HG2      THR  15   8.673   7.495  -5.625
  116    H    ALA  16           HN       ALA  16   9.501   1.922  -3.763
  117    HA   ALA  16           HA       ALA  16  11.010   0.613  -5.604
  118   1HB   ALA  16          3HB       ALA  16  10.600  -0.170  -3.300
  119   2HB   ALA  16          1HB       ALA  16   8.970  -0.699  -3.773
  120   3HB   ALA  16          2HB       ALA  16  10.400  -1.478  -4.478
  121    H    GLU  17           HN       GLU  17  10.788  -0.907  -7.210
  122    HA   GLU  17           HA       GLU  17   8.815  -0.718  -9.131
  123   1HB   GLU  17          2HB       GLU  17  11.137  -1.486  -9.285
  124   2HB   GLU  17          3HB       GLU  17  10.758  -2.943  -8.374
  125   1HG   GLU  17          2HG       GLU  17   9.310  -2.314 -10.952
  126   2HG   GLU  17          3HG       GLU  17  10.991  -2.894 -10.999
  127    H    GLU  18           HN       GLU  18   6.942  -1.832  -9.553
  128    HA   GLU  18           HA       GLU  18   5.273  -2.360  -7.474
  129   1HB   GLU  18          2HB       GLU  18   5.125  -3.311 -10.347
  130   2HB   GLU  18          3HB       GLU  18   3.799  -3.457  -9.195
  131   1HG   GLU  18          2HG       GLU  18   3.324  -1.520 -10.243
  132   2HG   GLU  18          3HG       GLU  18   4.040  -0.919  -8.756
  133    H    ARG  19           HN       ARG  19   7.107  -4.900  -9.335
  134    HA   ARG  19           HA       ARG  19   5.706  -7.129  -8.148
  135   1HB   ARG  19          2HB       ARG  19   6.803  -7.767 -10.001
  136   2HB   ARG  19          3HB       ARG  19   8.207  -6.800  -9.750
  137   1HG   ARG  19          2HG       ARG  19   7.522  -9.333  -8.198
  138   2HG   ARG  19          3HG       ARG  19   8.384  -9.315  -9.747
  139   1HD   ARG  19          2HD       ARG  19   9.394  -8.105  -7.152
  140   2HD   ARG  19          3HD       ARG  19   9.980  -9.509  -8.055
  141    HE   ARG  19           HE       ARG  19  10.029  -6.780  -9.309
  142   1HH1  ARG  19          2HH2      ARG  19  11.973  -8.907  -7.418
  143   2HH1  ARG  19          1HH2      ARG  19  13.431  -8.657  -8.289
  144   1HH2  ARG  19          2HH1      ARG  19  11.795  -6.195 -10.259
  145   2HH2  ARG  19          1HH1      ARG  19  13.366  -6.910 -10.003
  146    H    GLU  20           HN       GLU  20   8.282  -5.001  -7.057
  147    HA   GLU  20           HA       GLU  20   8.997  -6.655  -4.749
  148   1HB   GLU  20          2HB       GLU  20  10.645  -5.387  -5.964
  149   2HB   GLU  20          3HB       GLU  20   9.867  -3.851  -5.526
  150   1HG   GLU  20          2HG       GLU  20  10.262  -4.237  -3.169
  151   2HG   GLU  20          3HG       GLU  20  10.921  -5.856  -3.500
  152    H    ILE  21           HN       ILE  21   7.078  -3.668  -5.484
  153    HA   ILE  21           HA       ILE  21   6.118  -3.264  -2.835
  154    HB   ILE  21           HB       ILE  21   4.516  -2.988  -5.413
  155   1HG1  ILE  21          2HG1      ILE  21   6.575  -1.546  -5.307
  156   2HG1  ILE  21          3HG1      ILE  21   5.046  -0.664  -5.445
  157   1HG2  ILE  21          3HG2      ILE  21   3.955  -1.977  -2.610
  158   2HG2  ILE  21          1HG2      ILE  21   3.099  -1.427  -4.067
  159   3HG2  ILE  21          2HG2      ILE  21   2.992  -3.112  -3.530
  160   1HD1  ILE  21          1HD1      ILE  21   6.581  -1.123  -2.870
  161   2HD1  ILE  21          2HD1      ILE  21   6.552   0.386  -3.789
  162   3HD1  ILE  21          3HD1      ILE  21   5.087  -0.179  -2.999
  163    H    ARG  22           HN       ARG  22   5.110  -5.606  -5.329
  164    HA   ARG  22           HA       ARG  22   2.949  -6.689  -3.930
  165   1HB   ARG  22          2HB       ARG  22   4.393  -7.388  -6.296
  166   2HB   ARG  22          3HB       ARG  22   4.396  -8.823  -5.276
  167   1HG   ARG  22          2HG       ARG  22   2.443  -9.022  -6.570
  168   2HG   ARG  22          3HG       ARG  22   1.854  -8.451  -5.002
  169   1HD   ARG  22          2HD       ARG  22   2.063  -6.070  -6.006
  170   2HD   ARG  22          3HD       ARG  22   2.338  -6.844  -7.557
  171    HE   ARG  22           HE       ARG  22  -0.147  -7.085  -5.843
  172   1HH1  ARG  22          2HH2      ARG  22   1.164  -6.968  -9.211
  173   2HH1  ARG  22          1HH2      ARG  22  -0.323  -6.260  -9.774
  174   1HH2  ARG  22          2HH1      ARG  22  -1.992  -6.470  -6.691
  175   2HH2  ARG  22          1HH1      ARG  22  -2.231  -6.055  -8.358
  176    H    LYS  23           HN       LYS  23   6.449  -7.198  -3.307
  177    HA   LYS  23           HA       LYS  23   6.120  -9.405  -1.635
  178   1HB   LYS  23          2HB       LYS  23   8.345  -7.344  -1.583
  179   2HB   LYS  23          3HB       LYS  23   8.400  -8.981  -0.926
  180   1HG   LYS  23          2HG       LYS  23   7.957  -8.354  -3.872
  181   2HG   LYS  23          3HG       LYS  23   9.520  -8.681  -3.186
  182   1HD   LYS  23          2HD       LYS  23   9.065 -10.894  -2.712
  183   2HD   LYS  23          3HD       LYS  23   7.341 -10.719  -2.676
  184   1HE   LYS  23          2HE       LYS  23   8.952 -10.480  -5.247
  185   2HE   LYS  23          3HE       LYS  23   8.101 -11.935  -4.687
  186   1HZ   LYS  23          1HZ       LYS  23   6.057 -10.594  -4.630
  187   2HZ   LYS  23          2HZ       LYS  23   6.849  -9.352  -5.382
  188   3HZ   LYS  23          3HZ       LYS  23   6.659 -10.803  -6.141
  189    H    ALA  24           HN       ALA  24   6.423  -5.888  -0.984
  190    HA   ALA  24           HA       ALA  24   5.960  -6.043   1.840
  191   1HB   ALA  24          2HB       ALA  24   5.469  -3.870  -0.217
  192   2HB   ALA  24          3HB       ALA  24   5.046  -3.694   1.498
  193   3HB   ALA  24          1HB       ALA  24   6.739  -3.966   1.021
  194    H    TYR  25           HN       TYR  25   3.660  -5.315  -0.794
  195    HA   TYR  25           HA       TYR  25   1.336  -5.133   0.673
  196   1HB   TYR  25          2HB       TYR  25   1.680  -4.610  -1.778
  197   2HB   TYR  25          3HB       TYR  25   1.610  -6.330  -2.121
  198    HD1  TYR  25           HD1      TYR  25  -0.316  -3.347  -1.096
  199    HD2  TYR  25           HD2      TYR  25  -0.540  -7.556  -2.051
  200    HE1  TYR  25           HE1      TYR  25  -2.774  -3.258  -0.943
  201    HE2  TYR  25           HE2      TYR  25  -3.027  -7.408  -2.015
  202    HH   TYR  25           HH       TYR  25  -4.615  -4.670  -0.565
  203    H    LYS  26           HN       LYS  26   2.553  -8.134  -0.960
  204    HA   LYS  26           HA       LYS  26   0.469  -9.704   0.003
  205   1HB   LYS  26          2HB       LYS  26   2.072 -10.242  -1.913
  206   2HB   LYS  26          3HB       LYS  26   3.220 -10.743  -0.662
  207   1HG   LYS  26          2HG       LYS  26   2.192 -12.784  -1.131
  208   2HG   LYS  26          3HG       LYS  26   1.138 -12.211   0.167
  209   1HD   LYS  26          2HD       LYS  26  -0.462 -12.798  -1.413
  210   2HD   LYS  26          3HD       LYS  26  -0.246 -11.090  -1.748
  211   1HE   LYS  26          2HE       LYS  26  -0.230 -12.105  -3.866
  212   2HE   LYS  26          3HE       LYS  26   1.478 -11.774  -3.556
  213   1HZ   LYS  26          1HZ       LYS  26   1.616 -14.182  -2.851
  214   2HZ   LYS  26          2HZ       LYS  26   0.049 -14.343  -3.312
  215   3HZ   LYS  26          3HZ       LYS  26   1.199 -13.935  -4.423
  216    H    ARG  27           HN       ARG  27   3.784  -9.093   1.297
  217    HA   ARG  27           HA       ARG  27   3.718 -10.900   3.452
  218   1HB   ARG  27          2HB       ARG  27   5.718  -9.719   2.670
  219   2HB   ARG  27          3HB       ARG  27   5.064  -8.178   3.245
  220   1HG   ARG  27          2HG       ARG  27   6.717  -9.042   4.740
  221   2HG   ARG  27          3HG       ARG  27   5.167  -8.982   5.584
  222   1HD   ARG  27          2HD       ARG  27   4.965 -11.351   5.619
  223   2HD   ARG  27          3HD       ARG  27   6.012 -11.535   4.193
  224    HE   ARG  27           HE       ARG  27   7.302 -10.377   6.551
  225   1HH1  ARG  27          2HH2      ARG  27   6.805 -13.546   5.023
  226   2HH1  ARG  27          1HH2      ARG  27   8.542 -13.706   4.684
  227   1HH2  ARG  27          2HH1      ARG  27   9.380 -10.828   6.528
  228   2HH2  ARG  27          1HH1      ARG  27  10.016 -12.422   6.152
  229    H    LEU  28           HN       LEU  28   2.675  -7.491   3.271
  230    HA   LEU  28           HA       LEU  28   1.764  -7.200   5.944
  231   1HB   LEU  28          2HB       LEU  28   1.270  -5.843   3.294
  232   2HB   LEU  28          3HB       LEU  28   0.106  -5.569   4.579
  233    HG   LEU  28           HG       LEU  28   3.079  -5.209   5.094
  234   1HD1  LEU  28          3HD1      LEU  28   2.418  -3.770   3.183
  235   2HD1  LEU  28          1HD1      LEU  28   1.094  -3.099   4.169
  236   3HD1  LEU  28          2HD1      LEU  28   2.780  -2.829   4.650
  237   1HD2  LEU  28          2HD2      LEU  28   0.510  -4.103   6.354
  238   2HD2  LEU  28          3HD2      LEU  28   1.607  -5.281   7.099
  239   3HD2  LEU  28          1HD2      LEU  28   2.143  -3.616   6.805
  240    H    ALA  29           HN       ALA  29   0.034  -8.160   2.938
  241    HA   ALA  29           HA       ALA  29  -2.444  -8.630   4.228
  242   1HB   ALA  29          2HB       ALA  29  -2.098  -8.331   1.776
  243   2HB   ALA  29          3HB       ALA  29  -1.312  -9.924   1.720
  244   3HB   ALA  29          1HB       ALA  29  -3.030  -9.799   2.171
  245    H    MET  30           HN       MET  30   0.455 -10.578   4.009
  246    HA   MET  30           HA       MET  30  -0.638 -13.089   4.844
  247   1HB   MET  30          2HB       MET  30   1.909 -12.136   4.063
  248   2HB   MET  30          3HB       MET  30   2.122 -12.558   5.754
  249   1HG   MET  30          2HG       MET  30   2.614 -14.541   4.660
  250   2HG   MET  30          3HG       MET  30   0.937 -14.756   5.143
  251   1HE   MET  30          3HE       MET  30   3.522 -14.294   2.320
  252   2HE   MET  30          1HE       MET  30   2.538 -14.148   0.856
  253   3HE   MET  30          2HE       MET  30   2.604 -12.806   2.020
  254    H    LYS  31           HN       LYS  31   1.064 -10.437   6.561
  255    HA   LYS  31           HA       LYS  31   0.794 -11.405   9.175
  256   1HB   LYS  31          2HB       LYS  31   1.333  -8.795   7.794
  257   2HB   LYS  31          3HB       LYS  31   0.778  -8.672   9.427
  258   1HG   LYS  31          2HG       LYS  31   3.196 -10.278   8.491
  259   2HG   LYS  31          3HG       LYS  31   3.237  -8.666   9.193
  260   1HD   LYS  31          2HD       LYS  31   2.547 -11.266  10.604
  261   2HD   LYS  31          3HD       LYS  31   3.896 -10.168  10.897
  262   1HE   LYS  31          2HE       LYS  31   2.150  -8.407  11.550
  263   2HE   LYS  31          3HE       LYS  31   0.943  -9.710  11.492
  264   1HZ   LYS  31          3HZ       LYS  31   2.189 -10.864  13.227
  265   2HZ   LYS  31          1HZ       LYS  31   3.251  -9.626  13.351
  266   3HZ   LYS  31          2HZ       LYS  31   1.687  -9.375  13.690
  267    H    TYR  32           HN       TYR  32  -1.273  -9.309   7.240
  268    HA   TYR  32           HA       TYR  32  -3.457  -9.203   9.254
  269   1HB   TYR  32          2HB       TYR  32  -2.721  -7.614   6.740
  270   2HB   TYR  32          3HB       TYR  32  -4.327  -7.545   7.432
  271    HD1  TYR  32           HD1      TYR  32  -4.751  -6.853   9.786
  272    HD2  TYR  32           HD2      TYR  32  -0.958  -6.287   7.814
  273    HE1  TYR  32           HE1      TYR  32  -4.079  -5.269  11.544
  274    HE2  TYR  32           HE2      TYR  32  -0.285  -4.681   9.582
  275    HH   TYR  32           HH       TYR  32  -2.336  -4.098  12.469
  276    H    HIS  33           HN       HIS  33  -2.685 -11.654   7.692
  277    HA   HIS  33           HA       HIS  33  -4.729 -12.336   5.855
  278   1HB   HIS  33          2HB       HIS  33  -3.006 -13.933   6.292
  279   2HB   HIS  33          3HB       HIS  33  -3.238 -13.825   8.047
  280    HD1  HIS  33           HD1      HIS  33  -5.252 -15.209   9.125
  281    HD2  HIS  33           HD2      HIS  33  -4.746 -15.577   4.960
  282    HE1  HIS  33           HE1      HIS  33  -6.824 -17.043   8.374
  283    HA   PRO  34           HA       PRO  34  -8.314 -11.976   8.670
  284   1HB   PRO  34          2HB       PRO  34 -10.150 -13.572   7.424
  285   2HB   PRO  34          3HB       PRO  34  -9.650 -11.988   6.801
  286   1HG   PRO  34          2HG       PRO  34  -8.564 -14.692   5.980
  287   2HG   PRO  34          3HG       PRO  34  -9.186 -13.398   4.914
  288   1HD   PRO  34          2HD       PRO  34  -6.540 -13.639   5.353
  289   2HD   PRO  34          3HD       PRO  34  -7.281 -12.021   5.344
  290    H    ASP  35           HN       ASP  35  -6.597 -13.189  10.108
  291    HA   ASP  35           HA       ASP  35  -7.283 -15.996  10.643
  292   1HB   ASP  35          2HB       ASP  35  -5.740 -15.968  12.349
  293   2HB   ASP  35          3HB       ASP  35  -4.957 -15.028  11.084
  294    H    ARG  36           HN       ARG  36  -9.416 -15.893  10.856
  295    HA   ARG  36           HA       ARG  36 -11.409 -15.859  11.713
  296   1HB   ARG  36          2HB       ARG  36 -11.845 -15.326  14.153
  297   2HB   ARG  36          3HB       ARG  36 -10.897 -16.745  13.709
  298   1HG   ARG  36          2HG       ARG  36  -8.825 -15.609  14.245
  299   2HG   ARG  36          3HG       ARG  36  -9.711 -14.131  14.724
  300   1HD   ARG  36          2HD       ARG  36 -10.561 -15.268  16.679
  301   2HD   ARG  36          3HD       ARG  36 -10.113 -16.846  16.017
  302    HE   ARG  36           HE       ARG  36  -7.797 -16.424  16.294
  303   1HH1  ARG  36          2HH2      ARG  36  -9.599 -13.573  17.496
  304   2HH1  ARG  36          1HH2      ARG  36  -8.138 -12.953  18.242
  305   1HH2  ARG  36          2HH1      ARG  36  -6.049 -15.439  17.073
  306   2HH2  ARG  36          1HH1      ARG  36  -6.203 -13.994  18.100
  307    H    ASN  37           HN       ASN  37  -9.817 -12.839  12.666
  308    HA   ASN  37           HA       ASN  37 -10.579 -10.711  12.954
  309   1HB   ASN  37          2HB       ASN  37 -10.340 -10.437  10.599
  310   2HB   ASN  37          3HB       ASN  37 -11.824 -11.342  10.259
  311   1HD2  ASN  37          2HD2      ASN  37 -12.050  -7.408  11.428
  312   2HD2  ASN  37          1HD2      ASN  37 -10.534  -8.178  11.010
  313    H    GLN  38           HN       GLN  38 -11.729 -11.147  14.888
  314    HA   GLN  38           HA       GLN  38 -14.688 -11.389  14.633
  315   1HB   GLN  38          2HB       GLN  38 -13.585 -13.681  14.671
  316   2HB   GLN  38          3HB       GLN  38 -12.997 -13.306  16.298
  317   1HG   GLN  38          2HG       GLN  38 -15.397 -12.980  17.009
  318   2HG   GLN  38          3HG       GLN  38 -15.909 -13.387  15.366
  319   1HE2  GLN  38          2HE2      GLN  38 -15.018 -16.377  17.950
  320   2HE2  GLN  38          1HE2      GLN  38 -15.030 -14.692  18.445
  321    H    GLY  39           HN       GLY  39 -14.181  -9.134  15.178
  322   1HA   GLY  39          1HA       GLY  39 -14.727  -7.886  17.364
  323   2HA   GLY  39          2HA       GLY  39 -13.235  -8.634  17.962
  324    H    ASP  40           HN       ASP  40 -11.500  -8.575  15.897
  325    HA   ASP  40           HA       ASP  40 -10.720  -5.921  15.609
  326   1HB   ASP  40          2HB       ASP  40  -9.319  -7.932  15.438
  327   2HB   ASP  40          3HB       ASP  40  -9.981  -8.230  13.802
  328    H    LYS  41           HN       LYS  41 -10.608  -4.746  13.567
  329    HA   LYS  41           HA       LYS  41 -12.360  -5.112  11.331
  330   1HB   LYS  41          2HB       LYS  41 -13.313  -3.109  13.455
  331   2HB   LYS  41          3HB       LYS  41 -13.832  -3.156  11.768
  332   1HG   LYS  41          2HG       LYS  41 -14.581  -5.544  12.155
  333   2HG   LYS  41          3HG       LYS  41 -14.388  -5.218  13.908
  334   1HD   LYS  41          2HD       LYS  41 -15.900  -3.255  13.672
  335   2HD   LYS  41          3HD       LYS  41 -16.164  -3.668  11.969
  336   1HE   LYS  41          2HE       LYS  41 -16.959  -5.301  14.434
  337   2HE   LYS  41          3HE       LYS  41 -18.024  -4.464  13.295
  338   1HZ   LYS  41          2HZ       LYS  41 -17.122  -6.046  11.567
  339   2HZ   LYS  41          3HZ       LYS  41 -16.447  -6.907  12.773
  340   3HZ   LYS  41          1HZ       LYS  41 -18.083  -6.680  12.746
  341    H    GLU  42           HN       GLU  42 -10.775  -2.782  13.552
  342    HA   GLU  42           HA       GLU  42  -9.984  -0.922  11.640
  343   1HB   GLU  42          2HB       GLU  42  -9.967  -1.172  14.327
  344   2HB   GLU  42          3HB       GLU  42  -8.296  -1.561  14.047
  345   1HG   GLU  42          2HG       GLU  42  -9.651   0.958  12.902
  346   2HG   GLU  42          3HG       GLU  42  -9.089   0.800  14.568
  347    H    ALA  43           HN       ALA  43  -8.571  -4.200  12.290
  348    HA   ALA  43           HA       ALA  43  -6.395  -4.080  10.703
  349   1HB   ALA  43          3HB       ALA  43  -8.542  -6.207  11.053
  350   2HB   ALA  43          1HB       ALA  43  -7.115  -6.493  10.049
  351   3HB   ALA  43          2HB       ALA  43  -6.913  -6.127  11.761
  352    H    GLU  44           HN       GLU  44  -9.822  -4.446   9.640
  353    HA   GLU  44           HA       GLU  44  -9.144  -4.769   6.878
  354   1HB   GLU  44          2HB       GLU  44 -11.378  -5.322   8.085
  355   2HB   GLU  44          3HB       GLU  44 -11.786  -3.617   7.823
  356   1HG   GLU  44          2HG       GLU  44 -11.282  -3.945   5.371
  357   2HG   GLU  44          3HG       GLU  44 -10.973  -5.656   5.696
  358    H    ALA  45           HN       ALA  45  -9.966  -1.955   8.947
  359    HA   ALA  45           HA       ALA  45  -9.905  -0.033   6.935
  360   1HB   ALA  45          2HB       ALA  45 -10.722   0.389   9.247
  361   2HB   ALA  45          3HB       ALA  45  -9.035   0.374   9.821
  362   3HB   ALA  45          1HB       ALA  45  -9.574   1.611   8.670
  363    H    LYS  46           HN       LYS  46  -7.353  -1.404   8.945
  364    HA   LYS  46           HA       LYS  46  -5.131   0.047   7.984
  365   1HB   LYS  46          2HB       LYS  46  -5.543  -1.984   9.781
  366   2HB   LYS  46          3HB       LYS  46  -4.850  -2.936   8.557
  367   1HG   LYS  46          2HG       LYS  46  -2.779  -2.043   8.845
  368   2HG   LYS  46          3HG       LYS  46  -3.330  -0.399   9.152
  369   1HD   LYS  46          2HD       LYS  46  -3.811  -2.660  11.150
  370   2HD   LYS  46          3HD       LYS  46  -2.311  -1.735  11.142
  371   1HE   LYS  46          2HE       LYS  46  -4.193  -1.096  12.801
  372   2HE   LYS  46          3HE       LYS  46  -3.300   0.182  11.981
  373   1HZ   LYS  46          3HZ       LYS  46  -5.993  -0.703  11.105
  374   2HZ   LYS  46          1HZ       LYS  46  -5.673   0.519  12.094
  375   3HZ   LYS  46          2HZ       LYS  46  -5.092   0.612  10.588
  376    H    PHE  47           HN       PHE  47  -6.680  -2.922   6.781
  377    HA   PHE  47           HA       PHE  47  -4.987  -3.277   4.564
  378   1HB   PHE  47          2HB       PHE  47  -6.643  -4.940   5.554
  379   2HB   PHE  47          3HB       PHE  47  -7.905  -4.122   4.648
  380    HD1  PHE  47          1HD       PHE  47  -4.849  -6.208   4.397
  381    HD2  PHE  47          2HD       PHE  47  -8.053  -4.330   2.193
  382    HE1  PHE  47          1HE       PHE  47  -4.332  -7.612   2.425
  383    HE2  PHE  47          2HE       PHE  47  -7.458  -5.649   0.203
  384    HZ   PHE  47           HZ       PHE  47  -5.609  -7.328   0.314
  385    H    LYS  48           HN       LYS  48  -7.830  -1.156   4.991
  386    HA   LYS  48           HA       LYS  48  -8.218  -0.537   2.258
  387   1HB   LYS  48          2HB       LYS  48  -8.679   1.316   4.609
  388   2HB   LYS  48          3HB       LYS  48  -9.173   1.600   2.950
  389   1HG   LYS  48          2HG       LYS  48 -10.701  -0.279   2.942
  390   2HG   LYS  48          3HG       LYS  48  -9.973  -0.881   4.395
  391   1HD   LYS  48          2HD       LYS  48 -11.909   0.059   5.282
  392   2HD   LYS  48          3HD       LYS  48 -10.816   1.437   5.455
  393   1HE   LYS  48          2HE       LYS  48 -12.969   0.980   3.349
  394   2HE   LYS  48          3HE       LYS  48 -12.889   2.244   4.579
  395   1HZ   LYS  48          2HZ       LYS  48 -10.914   3.084   3.411
  396   2HZ   LYS  48          3HZ       LYS  48 -11.228   1.993   2.167
  397   3HZ   LYS  48          1HZ       LYS  48 -12.300   3.165   2.528
  398    H    GLU  49           HN       GLU  49  -6.081   0.946   4.784
  399    HA   GLU  49           HA       GLU  49  -4.995   2.961   3.127
  400   1HB   GLU  49          2HB       GLU  49  -3.726   1.554   5.524
  401   2HB   GLU  49          3HB       GLU  49  -3.218   3.071   4.775
  402   1HG   GLU  49          2HG       GLU  49  -5.516   4.012   5.211
  403   2HG   GLU  49          3HG       GLU  49  -5.925   2.540   6.104
  404    H    ILE  50           HN       ILE  50  -3.775  -0.343   3.834
  405    HA   ILE  50           HA       ILE  50  -1.476  -0.118   2.164
  406    HB   ILE  50           HB       ILE  50  -2.997  -2.656   2.838
  407   1HG1  ILE  50          2HG1      ILE  50  -0.649  -1.581   4.435
  408   2HG1  ILE  50          3HG1      ILE  50  -2.272  -1.123   4.877
  409   1HG2  ILE  50          2HG2      ILE  50  -1.164  -2.889   1.117
  410   2HG2  ILE  50          3HG2      ILE  50  -0.022  -2.180   2.260
  411   3HG2  ILE  50          1HG2      ILE  50  -0.763  -3.744   2.601
  412   1HD1  ILE  50          1HD1      ILE  50  -1.336  -4.002   4.721
  413   2HD1  ILE  50          2HD1      ILE  50  -1.569  -3.043   6.192
  414   3HD1  ILE  50          3HD1      ILE  50  -2.944  -3.470   5.177
  415    H    LYS  51           HN       LYS  51  -4.883  -1.003   1.426
  416    HA   LYS  51           HA       LYS  51  -4.459  -1.651  -1.325
  417   1HB   LYS  51          2HB       LYS  51  -6.318  -2.478  -0.117
  418   2HB   LYS  51          3HB       LYS  51  -6.882  -0.889   0.349
  419   1HG   LYS  51          2HG       LYS  51  -6.669  -1.515  -2.583
  420   2HG   LYS  51          3HG       LYS  51  -7.995  -2.215  -1.655
  421   1HD   LYS  51          2HD       LYS  51  -9.007  -0.223  -1.136
  422   2HD   LYS  51          3HD       LYS  51  -7.559   0.753  -1.233
  423   1HE   LYS  51          2HE       LYS  51  -8.778  -0.579  -3.696
  424   2HE   LYS  51          3HE       LYS  51  -9.300   1.012  -3.128
  425   1HZ   LYS  51          3HZ       LYS  51  -6.442   0.532  -3.687
  426   2HZ   LYS  51          1HZ       LYS  51  -7.570   1.044  -4.821
  427   3HZ   LYS  51          2HZ       LYS  51  -7.279   1.944  -3.546
  428    H    GLU  52           HN       GLU  52  -4.919   1.393   0.401
  429    HA   GLU  52           HA       GLU  52  -5.532   3.033  -1.894
  430   1HB   GLU  52          2HB       GLU  52  -5.699   3.407   0.792
  431   2HB   GLU  52          3HB       GLU  52  -4.095   4.079   0.599
  432   1HG   GLU  52          2HG       GLU  52  -4.931   5.760  -0.945
  433   2HG   GLU  52          3HG       GLU  52  -6.541   5.023  -0.944
  434    H    ALA  53           HN       ALA  53  -2.578   2.393   0.028
  435    HA   ALA  53           HA       ALA  53  -0.725   3.809  -1.504
  436   1HB   ALA  53          3HB       ALA  53  -0.405   1.119  -0.114
  437   2HB   ALA  53          1HB       ALA  53   0.937   2.156  -0.637
  438   3HB   ALA  53          2HB       ALA  53  -0.185   2.705   0.632
  439    H    TYR  54           HN       TYR  54  -1.854   0.430  -1.970
  440    HA   TYR  54           HA       TYR  54  -0.285   0.002  -4.298
  441   1HB   TYR  54          2HB       TYR  54  -1.545  -1.655  -2.720
  442   2HB   TYR  54          3HB       TYR  54  -2.907  -1.424  -3.815
  443    HD1  TYR  54           HD2      TYR  54   0.698  -2.372  -3.601
  444    HD2  TYR  54           HD1      TYR  54  -2.882  -2.545  -5.987
  445    HE1  TYR  54           HE2      TYR  54   1.958  -3.494  -5.434
  446    HE2  TYR  54           HE1      TYR  54  -1.647  -3.706  -7.756
  447    HH   TYR  54           HH       TYR  54   1.911  -3.956  -7.670
  448    H    GLU  55           HN       GLU  55  -3.203   1.856  -3.936
  449    HA   GLU  55           HA       GLU  55  -4.035   1.753  -6.730
  450   1HB   GLU  55          2HB       GLU  55  -5.914   2.191  -5.661
  451   2HB   GLU  55          3HB       GLU  55  -5.116   2.544  -4.142
  452   1HG   GLU  55          2HG       GLU  55  -4.855   4.868  -4.714
  453   2HG   GLU  55          3HG       GLU  55  -5.506   4.552  -6.329
  454    H    VAL  56           HN       VAL  56  -2.373   3.880  -4.444
  455    HA   VAL  56           HA       VAL  56  -1.891   6.015  -6.292
  456    HB   VAL  56           HB       VAL  56  -0.967   5.296  -3.515
  457   1HG1  VAL  56          1HG1      VAL  56   0.297   7.434  -5.270
  458   2HG1  VAL  56          2HG1      VAL  56   0.348   7.439  -3.499
  459   3HG1  VAL  56          3HG1      VAL  56   1.127   6.128  -4.388
  460   1HG2  VAL  56          1HG2      VAL  56  -3.112   6.506  -4.015
  461   2HG2  VAL  56          2HG2      VAL  56  -1.972   7.490  -3.064
  462   3HG2  VAL  56          3HG2      VAL  56  -2.165   7.788  -4.807
  463    H    LEU  57           HN       LEU  57   0.005   3.033  -5.527
  464    HA   LEU  57           HA       LEU  57   2.099   3.925  -7.392
  465   1HB   LEU  57          2HB       LEU  57   1.777   1.432  -5.645
  466   2HB   LEU  57          3HB       LEU  57   3.219   1.904  -6.564
  467    HG   LEU  57           HG       LEU  57   2.111   3.341  -4.125
  468   1HD1  LEU  57          2HD1      LEU  57   3.360   1.264  -3.712
  469   2HD1  LEU  57          3HD1      LEU  57   4.721   1.883  -4.682
  470   3HD1  LEU  57          1HD1      LEU  57   4.268   2.685  -3.161
  471   1HD2  LEU  57          3HD2      LEU  57   4.292   4.101  -6.101
  472   2HD2  LEU  57          1HD2      LEU  57   2.860   5.044  -5.600
  473   3HD2  LEU  57          2HD2      LEU  57   4.195   4.791  -4.480
  474    H    THR  58           HN       THR  58   2.366   1.305  -8.106
  475    HA   THR  58           HA       THR  58   2.179   0.351 -10.192
  476    HB   THR  58           HB       THR  58   0.023  -0.618 -10.864
  477    HG1  THR  58          1HG       THR  58  -0.958   1.060  -8.890
  478   1HG2  THR  58          3HG2      THR  58   0.691  -0.965  -7.898
  479   2HG2  THR  58          1HG2      THR  58  -0.315  -2.033  -8.890
  480   3HG2  THR  58          2HG2      THR  58   1.414  -1.863  -9.255
  481    H    ASP  59           HN       ASP  59   2.568   3.043 -10.095
  482    HA   ASP  59           HA       ASP  59   1.210   4.189 -12.402
  483   1HB   ASP  59          2HB       ASP  59  -0.511   4.100 -10.452
  484   2HB   ASP  59          3HB       ASP  59   0.541   5.248  -9.627
  485    H    SER  60           HN       SER  60   1.887   6.376 -12.744
  486    HA   SER  60           HA       SER  60   4.336   7.245 -11.256
  487   1HB   SER  60          2HB       SER  60   3.938   7.189 -14.261
  488   2HB   SER  60          3HB       SER  60   5.309   7.917 -13.414
  489    HG   SER  60           HG       SER  60   5.863   5.880 -14.083
  490    H    GLN  61           HN       GLN  61   1.195   8.016 -12.026
  491    HA   GLN  61           HA       GLN  61   1.695  10.853 -12.696
  492   1HB   GLN  61          2HB       GLN  61   0.171   9.753 -14.185
  493   2HB   GLN  61          3HB       GLN  61  -0.762   9.035 -12.862
  494   1HG   GLN  61          2HG       GLN  61  -1.591  11.156 -12.150
  495   2HG   GLN  61          3HG       GLN  61  -0.346  12.015 -13.081
  496   1HE2  GLN  61          2HE2      GLN  61  -3.636  10.492 -15.077
  497   2HE2  GLN  61          1HE2      GLN  61  -3.054   9.660 -13.632
  498    H    LYS  62           HN       LYS  62  -0.429   8.833 -10.615
  499    HA   LYS  62           HA       LYS  62  -0.942  11.130  -8.833
  500   1HB   LYS  62          2HB       LYS  62  -1.761   9.165  -7.269
  501   2HB   LYS  62          3HB       LYS  62  -2.727   9.824  -8.585
  502   1HG   LYS  62          2HG       LYS  62  -2.076   7.942 -10.068
  503   2HG   LYS  62          3HG       LYS  62  -1.095   7.275  -8.745
  504   1HD   LYS  62          2HD       LYS  62  -3.064   6.066  -8.645
  505   2HD   LYS  62          3HD       LYS  62  -3.343   7.299  -7.404
  506   1HE   LYS  62          2HE       LYS  62  -4.701   8.609  -9.050
  507   2HE   LYS  62          3HE       LYS  62  -4.407   7.367 -10.283
  508   1HZ   LYS  62          2HZ       LYS  62  -5.763   6.922  -7.712
  509   2HZ   LYS  62          3HZ       LYS  62  -6.550   7.101  -9.116
  510   3HZ   LYS  62          1HZ       LYS  62  -5.602   5.785  -8.877
  511    H    ARG  63           HN       ARG  63   1.190   8.396  -9.040
  512    HA   ARG  63           HA       ARG  63   2.932   8.956  -6.705
  513   1HB   ARG  63          2HB       ARG  63   2.410   6.796  -7.916
  514   2HB   ARG  63          3HB       ARG  63   3.660   7.317  -9.039
  515   1HG   ARG  63          2HG       ARG  63   3.819   6.896  -6.016
  516   2HG   ARG  63          3HG       ARG  63   4.533   5.903  -7.306
  517   1HD   ARG  63          2HD       ARG  63   6.322   6.983  -6.414
  518   2HD   ARG  63          3HD       ARG  63   5.964   7.932  -7.858
  519    HE   ARG  63           HE       ARG  63   4.737   8.858  -5.336
  520   1HH1  ARG  63          2HH2      ARG  63   7.682   9.141  -7.347
  521   2HH1  ARG  63          1HH2      ARG  63   8.300  10.493  -6.445
  522   1HH2  ARG  63          2HH1      ARG  63   5.542  10.529  -4.165
  523   2HH2  ARG  63          1HH1      ARG  63   6.961  11.431  -4.674
  524    H    ALA  64           HN       ALA  64   2.469  11.437  -8.111
  525    HA   ALA  64           HA       ALA  64   5.146  12.295  -8.506
  526   1HB   ALA  64          3HB       ALA  64   3.425  12.108 -11.026
  527   2HB   ALA  64          1HB       ALA  64   4.890  13.096 -10.858
  528   3HB   ALA  64          2HB       ALA  64   4.997  11.334 -10.736
  529    H    ALA  65           HN       ALA  65   1.779  12.972  -9.534
  530    HA   ALA  65           HA       ALA  65   1.744  15.716  -9.270
  531   1HB   ALA  65          1HB       ALA  65  -0.429  13.683  -8.563
  532   2HB   ALA  65          2HB       ALA  65  -0.670  15.421  -8.814
  533   3HB   ALA  65          3HB       ALA  65  -0.124  14.396 -10.159
  534    H    TYR  66           HN       TYR  66   0.902  13.279  -6.792
  535    HA   TYR  66           HA       TYR  66   0.660  14.638  -4.446
  536   1HB   TYR  66          2HB       TYR  66   0.532  12.297  -4.512
  537   2HB   TYR  66          3HB       TYR  66   2.166  12.147  -5.167
  538    HD1  TYR  66           HD1      TYR  66   0.239  12.840  -2.052
  539    HD2  TYR  66           HD2      TYR  66   4.126  12.156  -3.775
  540    HE1  TYR  66           HE1      TYR  66   1.114  12.184   0.162
  541    HE2  TYR  66           HE2      TYR  66   4.969  11.390  -1.578
  542    HH   TYR  66           HH       TYR  66   2.755  10.563   0.931
  543    H    ASP  67           HN       ASP  67   3.683  13.860  -6.117
  544    HA   ASP  67           HA       ASP  67   5.412  14.610  -3.952
  545   1HB   ASP  67          2HB       ASP  67   5.805  12.965  -5.965
  546   2HB   ASP  67          3HB       ASP  67   6.266  14.414  -6.866
  547    H    GLN  68           HN       GLN  68   4.330  16.068  -7.015
  548    HA   GLN  68           HA       GLN  68   5.893  18.448  -6.913
  549   1HB   GLN  68          2HB       GLN  68   3.862  17.183  -8.606
  550   2HB   GLN  68          3HB       GLN  68   3.442  18.847  -8.281
  551   1HG   GLN  68          2HG       GLN  68   4.754  18.729 -10.274
  552   2HG   GLN  68          3HG       GLN  68   5.694  19.579  -9.041
  553   1HE2  GLN  68          2HE2      GLN  68   6.967  15.908 -10.443
  554   2HE2  GLN  68          1HE2      GLN  68   5.285  16.402 -10.691
  555    H    TYR  69           HN       TYR  69   2.423  17.844  -6.126
  556    HA   TYR  69           HA       TYR  69   2.329  19.805  -3.985
  557   1HB   TYR  69          2HB       TYR  69   1.585  20.425  -6.837
  558   2HB   TYR  69          3HB       TYR  69   0.567  21.083  -5.577
  559    HD1  TYR  69           HD1      TYR  69   1.715  22.324  -3.613
  560    HD2  TYR  69           HD2      TYR  69   3.348  21.813  -7.577
  561    HE1  TYR  69           HE1      TYR  69   3.095  24.347  -3.314
  562    HE2  TYR  69           HE2      TYR  69   4.761  23.824  -7.241
  563    HH   TYR  69           HH       TYR  69   4.673  25.687  -4.227
  564    H    GLY  70           HN       GLY  70   1.687  17.211  -3.721
  565   1HA   GLY  70          1HA       GLY  70  -0.078  15.919  -2.895
  566   2HA   GLY  70          2HA       GLY  70  -0.923  17.450  -2.694
  567    H    HIS  71           HN       HIS  71  -2.949  16.641  -3.338
  568    HA   HIS  71           HA       HIS  71  -3.261  15.702  -6.132
  569   1HB   HIS  71          2HB       HIS  71  -4.357  14.634  -4.076
  570   2HB   HIS  71          3HB       HIS  71  -5.367  16.082  -4.000
  571    HD1  HIS  71           HD1      HIS  71  -5.868  16.223  -7.259
  572    HD2  HIS  71           HD2      HIS  71  -6.254  12.942  -4.651
  573    HE1  HIS  71           HE1      HIS  71  -7.478  14.577  -8.369
  574    H    ALA  72           HN       ALA  72  -2.231  18.349  -5.783
  575    HA   ALA  72           HA       ALA  72  -4.265  19.732  -7.387
  576   1HB   ALA  72          1HB       ALA  72  -4.865  20.495  -5.099
  577   2HB   ALA  72          2HB       ALA  72  -3.190  21.030  -4.841
  578   3HB   ALA  72          3HB       ALA  72  -4.193  21.807  -6.079
  579    H    ALA  73           HN       ALA  73  -2.146  18.577  -8.374
  580    HA   ALA  73           HA       ALA  73   0.136  20.475  -8.374
  581   1HB   ALA  73          2HB       ALA  73  -0.070  17.534  -9.081
  582   2HB   ALA  73          3HB       ALA  73   1.424  18.482  -9.111
  583   3HB   ALA  73          1HB       ALA  73   0.571  18.208  -7.572
  584    H    PHE  74           HN       PHE  74  -2.367  20.674 -10.034
  585    HA   PHE  74           HA       PHE  74  -0.954  21.670 -12.335
  586   1HB   PHE  74          2HB       PHE  74  -1.416  19.167 -12.854
  587   2HB   PHE  74          3HB       PHE  74  -3.107  19.608 -12.981
  588    HD1  PHE  74          1HD       PHE  74  -3.683  21.574 -14.659
  589    HD2  PHE  74          2HD       PHE  74   0.091  19.454 -14.639
  590    HE1  PHE  74          1HE       PHE  74  -3.132  22.504 -16.863
  591    HE2  PHE  74          2HE       PHE  74   0.571  20.311 -16.907
  592    HZ   PHE  74           HZ       PHE  74  -1.006  21.875 -18.001
  593    H    GLU  75           HN       GLU  75  -4.135  20.499 -11.278
  594    HA   GLU  75           HA       GLU  75  -5.607  22.803 -11.999
  595   1HB   GLU  75          2HB       GLU  75  -6.141  20.429 -10.163
  596   2HB   GLU  75          3HB       GLU  75  -7.368  21.609 -10.591
  597   1HG   GLU  75          2HG       GLU  75  -6.042  20.675 -13.035
  598   2HG   GLU  75          3HG       GLU  75  -6.623  19.309 -12.070
  599    H    GLN  76           HN       GLN  76  -3.296  23.385  -9.977
  600    HA   GLN  76           HA       GLN  76  -4.579  23.957  -7.464
  601   1HB   GLN  76          2HB       GLN  76  -2.386  25.479  -7.479
  602   2HB   GLN  76          3HB       GLN  76  -2.406  23.811  -6.952
  603   1HG   GLN  76          2HG       GLN  76  -1.508  23.143  -9.214
  604   2HG   GLN  76          3HG       GLN  76  -1.513  24.856  -9.684
  605   1HE2  GLN  76          2HE2      GLN  76   1.126  23.542  -6.747
  606   2HE2  GLN  76          1HE2      GLN  76  -0.444  22.767  -6.953
   
  No H/Q in entry =         606
  Start of MODEL    8
    1   1H    ALA   2          1HN       ALA   2   5.573  14.933   8.092
    2   2H    ALA   2          2HN       ALA   2   4.158  15.803   8.132
    3   3H    ALA   2          3HN       ALA   2   4.300  14.406   8.964
    4    HA   ALA   2           HA       ALA   2   4.455  13.020   7.201
    5   1HB   ALA   2          1HB       ALA   2   2.195  13.580   7.884
    6   2HB   ALA   2          2HB       ALA   2   2.149  14.939   6.759
    7   3HB   ALA   2          3HB       ALA   2   2.256  13.265   6.150
    8    H    LYS   3           HN       LYS   3   3.055  14.499   4.731
    9    HA   LYS   3           HA       LYS   3   3.892  15.424   2.698
   10   1HB   LYS   3          2HB       LYS   3   6.482  13.963   3.483
   11   2HB   LYS   3          3HB       LYS   3   5.877  13.874   1.868
   12   1HG   LYS   3          2HG       LYS   3   7.274  15.546   1.597
   13   2HG   LYS   3          3HG       LYS   3   5.775  16.427   1.761
   14   1HD   LYS   3          2HD       LYS   3   7.685  15.976   4.089
   15   2HD   LYS   3          3HD       LYS   3   7.925  17.275   2.909
   16   1HE   LYS   3          2HE       LYS   3   5.675  18.187   3.406
   17   2HE   LYS   3          3HE       LYS   3   5.465  16.995   4.684
   18   1HZ   LYS   3          1HZ       LYS   3   7.429  17.972   5.778
   19   2HZ   LYS   3          2HZ       LYS   3   7.532  19.125   4.620
   20   3HZ   LYS   3          3HZ       LYS   3   6.199  19.068   5.551
   21    H    GLN   4           HN       GLN   4   3.408  13.994   0.868
   22    HA   GLN   4           HA       GLN   4   1.304  12.255   1.556
   23   1HB   GLN   4          2HB       GLN   4   1.531  13.585  -0.438
   24   2HB   GLN   4          3HB       GLN   4   2.850  12.535  -1.011
   25   1HG   GLN   4          2HG       GLN   4   1.175  11.782  -2.292
   26   2HG   GLN   4          3HG       GLN   4   1.039  10.636  -0.956
   27   1HE2  GLN   4          2HE2      GLN   4  -2.335  12.067  -1.931
   28   2HE2  GLN   4          1HE2      GLN   4  -0.988  11.474  -2.927
   29    H    ASP   5           HN       ASP   5   2.312  10.796   2.985
   30    HA   ASP   5           HA       ASP   5   4.232   8.867   1.935
   31   1HB   ASP   5          2HB       ASP   5   3.923   9.768   4.459
   32   2HB   ASP   5          3HB       ASP   5   2.946   8.316   4.585
   33    H    TYR   6           HN       TYR   6   3.838   6.935   1.191
   34    HA   TYR   6           HA       TYR   6   1.510   5.373   2.030
   35   1HB   TYR   6          2HB       TYR   6   2.023   6.187  -0.854
   36   2HB   TYR   6          3HB       TYR   6   1.091   4.767  -0.443
   37    HD1  TYR   6           HD2      TYR   6  -0.816   5.198   1.451
   38    HD2  TYR   6           HD1      TYR   6   0.772   8.185  -1.216
   39    HE1  TYR   6           HE2      TYR   6  -2.928   6.435   1.597
   40    HE2  TYR   6           HE1      TYR   6  -1.356   9.454  -1.021
   41    HH   TYR   6           HH       TYR   6  -3.892   8.774  -0.528
   42    H    TYR   7           HN       TYR   7   4.704   5.584   1.876
   43    HA   TYR   7           HA       TYR   7   5.187   2.845   0.725
   44   1HB   TYR   7          2HB       TYR   7   7.493   3.712   0.362
   45   2HB   TYR   7          3HB       TYR   7   6.242   4.417  -0.652
   46    HD1  TYR   7           HD1      TYR   7   8.404   5.042   2.317
   47    HD2  TYR   7           HD2      TYR   7   5.770   6.791  -0.617
   48    HE1  TYR   7           HE1      TYR   7   8.878   7.271   3.216
   49    HE2  TYR   7           HE2      TYR   7   6.245   9.044   0.314
   50    HH   TYR   7           HH       TYR   7   8.189   9.466   3.255
   51    H    GLU   8           HN       GLU   8   5.839   5.176   3.426
   52    HA   GLU   8           HA       GLU   8   7.397   3.254   4.888
   53   1HB   GLU   8          2HB       GLU   8   6.778   6.055   4.952
   54   2HB   GLU   8          3HB       GLU   8   6.085   5.386   6.409
   55   1HG   GLU   8          2HG       GLU   8   8.938   5.382   5.419
   56   2HG   GLU   8          3HG       GLU   8   8.261   6.205   6.804
   57    H    ILE   9           HN       ILE   9   4.052   3.990   4.218
   58    HA   ILE   9           HA       ILE   9   2.772   2.734   6.339
   59    HB   ILE   9           HB       ILE   9   1.844   3.163   3.484
   60   1HG1  ILE   9          2HG1      ILE   9   1.698   4.775   6.069
   61   2HG1  ILE   9          3HG1      ILE   9   2.339   5.267   4.501
   62   1HG2  ILE   9          2HG2      ILE   9   0.539   1.361   4.634
   63   2HG2  ILE   9          3HG2      ILE   9   0.196   2.489   5.960
   64   3HG2  ILE   9          1HG2      ILE   9  -0.422   2.788   4.320
   65   1HD1  ILE   9          2HD1      ILE   9  -0.050   5.106   3.616
   66   2HD1  ILE   9          3HD1      ILE   9  -0.564   4.883   5.302
   67   3HD1  ILE   9          1HD1      ILE   9   0.256   6.377   4.819
   68    H    LEU  10           HN       LEU  10   3.630   1.325   2.965
   69    HA   LEU  10           HA       LEU  10   2.948  -1.263   4.040
   70   1HB   LEU  10          2HB       LEU  10   4.833  -1.456   1.906
   71   2HB   LEU  10          3HB       LEU  10   3.201  -2.095   2.061
   72    HG   LEU  10           HG       LEU  10   3.970   0.688   1.040
   73   1HD1  LEU  10          1HD1      LEU  10   4.585  -1.229  -0.437
   74   2HD1  LEU  10          2HD1      LEU  10   2.914  -1.811  -0.366
   75   3HD1  LEU  10          3HD1      LEU  10   3.272  -0.243  -1.114
   76   1HD2  LEU  10          3HD2      LEU  10   1.278  -0.775   1.163
   77   2HD2  LEU  10          1HD2      LEU  10   1.647   0.761   1.973
   78   3HD2  LEU  10          2HD2      LEU  10   1.605   0.666   0.208
   79    H    GLY  11           HN       GLY  11   5.876   0.710   4.013
   80   1HA   GLY  11          1HA       GLY  11   7.504   0.592   5.746
   81   2HA   GLY  11          2HA       GLY  11   6.977  -1.058   6.145
   82    H    VAL  12           HN       VAL  12   7.835   0.697   3.202
   83    HA   VAL  12           HA       VAL  12   9.918  -1.266   2.417
   84    HB   VAL  12           HB       VAL  12   7.817  -1.906   1.389
   85   1HG1  VAL  12          1HG1      VAL  12   7.656   0.940   0.314
   86   2HG1  VAL  12          2HG1      VAL  12   6.704  -0.424  -0.285
   87   3HG1  VAL  12          3HG1      VAL  12   6.490   0.108   1.377
   88   1HG2  VAL  12          1HG2      VAL  12   9.863  -2.131   0.124
   89   2HG2  VAL  12          2HG2      VAL  12   8.407  -1.953  -0.892
   90   3HG2  VAL  12          3HG2      VAL  12   9.518  -0.589  -0.704
   91    H    SER  13           HN       SER  13  11.126  -0.107   0.475
   92    HA   SER  13           HA       SER  13  12.015   2.367   1.712
   93   1HB   SER  13          2HB       SER  13  13.534   0.784   0.447
   94   2HB   SER  13          3HB       SER  13  12.907   1.528  -1.043
   95    HG   SER  13           HG       SER  13  14.641   2.755  -0.434
   96    H    LYS  14           HN       LYS  14  12.407   4.276   0.265
   97    HA   LYS  14           HA       LYS  14   9.952   5.581   0.420
   98   1HB   LYS  14          2HB       LYS  14  12.545   6.399  -0.919
   99   2HB   LYS  14          3HB       LYS  14  11.207   7.511  -0.619
  100   1HG   LYS  14          2HG       LYS  14  11.456   7.519   1.645
  101   2HG   LYS  14          3HG       LYS  14  12.161   5.921   1.771
  102   1HD   LYS  14          2HD       LYS  14  13.609   8.245   0.431
  103   2HD   LYS  14          3HD       LYS  14  13.725   7.967   2.161
  104   1HE   LYS  14          2HE       LYS  14  14.525   5.868   0.081
  105   2HE   LYS  14          3HE       LYS  14  15.637   7.009   0.841
  106   1HZ   LYS  14          2HZ       LYS  14  14.067   5.030   2.376
  107   2HZ   LYS  14          3HZ       LYS  14  15.649   4.920   1.970
  108   3HZ   LYS  14          1HZ       LYS  14  15.136   6.094   2.980
  109    H    THR  15           HN       THR  15  11.837   5.122  -2.598
  110    HA   THR  15           HA       THR  15   9.478   5.857  -4.206
  111    HB   THR  15           HB       THR  15  11.430   6.180  -5.860
  112    HG1  THR  15          1HG       THR  15  13.467   6.311  -4.748
  113   1HG2  THR  15          2HG2      THR  15  10.348   7.996  -4.455
  114   2HG2  THR  15          3HG2      THR  15  11.584   7.733  -3.220
  115   3HG2  THR  15          1HG2      THR  15  12.050   8.306  -4.832
  116    H    ALA  16           HN       ALA  16   9.886   3.184  -2.932
  117    HA   ALA  16           HA       ALA  16  11.251   1.348  -4.301
  118   1HB   ALA  16          1HB       ALA  16   8.586   0.918  -2.917
  119   2HB   ALA  16          2HB       ALA  16   9.730  -0.369  -3.356
  120   3HB   ALA  16          3HB       ALA  16  10.221   0.885  -2.205
  121    H    GLU  17           HN       GLU  17  11.135   0.014  -5.936
  122    HA   GLU  17           HA       GLU  17   9.569   0.477  -8.254
  123   1HB   GLU  17          2HB       GLU  17  11.942  -0.594  -7.776
  124   2HB   GLU  17          3HB       GLU  17  11.054  -2.086  -7.517
  125   1HG   GLU  17          2HG       GLU  17  10.622  -0.553 -10.098
  126   2HG   GLU  17          3HG       GLU  17  12.161  -1.387  -9.843
  127    H    GLU  18           HN       GLU  18   7.767  -0.747  -9.072
  128    HA   GLU  18           HA       GLU  18   5.817  -1.505  -7.211
  129   1HB   GLU  18          2HB       GLU  18   5.233  -0.962  -9.520
  130   2HB   GLU  18          3HB       GLU  18   6.238  -2.267 -10.158
  131   1HG   GLU  18          2HG       GLU  18   4.158  -3.336  -8.347
  132   2HG   GLU  18          3HG       GLU  18   3.483  -2.364  -9.617
  133    H    ARG  19           HN       ARG  19   8.250  -3.552  -8.949
  134    HA   ARG  19           HA       ARG  19   7.205  -6.050  -8.223
  135   1HB   ARG  19          2HB       ARG  19   9.121  -5.721  -9.728
  136   2HB   ARG  19          3HB       ARG  19  10.107  -5.207  -8.353
  137   1HG   ARG  19          2HG       ARG  19   8.871  -7.832  -7.846
  138   2HG   ARG  19          3HG       ARG  19   9.733  -7.848  -9.378
  139   1HD   ARG  19          2HD       ARG  19  10.889  -6.893  -6.721
  140   2HD   ARG  19          3HD       ARG  19  11.179  -8.487  -7.405
  141    HE   ARG  19           HE       ARG  19  12.318  -5.887  -8.240
  142   1HH1  ARG  19          2HH2      ARG  19  11.967  -9.322  -9.071
  143   2HH1  ARG  19          1HH2      ARG  19  12.793  -9.185 -10.589
  144   1HH2  ARG  19          2HH1      ARG  19  13.677  -5.758 -10.129
  145   2HH2  ARG  19          1HH1      ARG  19  13.746  -7.109 -11.225
  146    H    GLU  20           HN       GLU  20   9.076  -3.765  -6.219
  147    HA   GLU  20           HA       GLU  20   9.330  -5.663  -4.009
  148   1HB   GLU  20          2HB       GLU  20  11.022  -3.932  -4.445
  149   2HB   GLU  20          3HB       GLU  20   9.817  -2.681  -4.080
  150   1HG   GLU  20          2HG       GLU  20   9.518  -3.671  -1.816
  151   2HG   GLU  20          3HG       GLU  20  10.739  -4.904  -2.213
  152    H    ILE  21           HN       ILE  21   7.227  -2.902  -4.952
  153    HA   ILE  21           HA       ILE  21   5.659  -2.775  -2.583
  154    HB   ILE  21           HB       ILE  21   4.808  -2.357  -5.474
  155   1HG1  ILE  21          2HG1      ILE  21   6.647  -0.812  -4.614
  156   2HG1  ILE  21          3HG1      ILE  21   5.183  -0.037  -5.215
  157   1HG2  ILE  21          3HG2      ILE  21   3.307  -1.708  -2.947
  158   2HG2  ILE  21          1HG2      ILE  21   2.954  -0.980  -4.531
  159   3HG2  ILE  21          2HG2      ILE  21   2.808  -2.723  -4.302
  160   1HD1  ILE  21          3HD1      ILE  21   5.740  -0.550  -2.275
  161   2HD1  ILE  21          1HD1      ILE  21   6.024   0.986  -3.105
  162   3HD1  ILE  21          2HD1      ILE  21   4.378   0.368  -2.956
  163    H    ARG  22           HN       ARG  22   5.426  -4.949  -5.405
  164    HA   ARG  22           HA       ARG  22   3.035  -6.261  -4.641
  165   1HB   ARG  22          2HB       ARG  22   5.034  -6.502  -6.737
  166   2HB   ARG  22          3HB       ARG  22   4.834  -8.075  -5.989
  167   1HG   ARG  22          2HG       ARG  22   3.310  -7.994  -7.785
  168   2HG   ARG  22          3HG       ARG  22   2.327  -7.881  -6.313
  169   1HD   ARG  22          2HD       ARG  22   2.220  -5.358  -6.643
  170   2HD   ARG  22          3HD       ARG  22   3.327  -5.518  -7.979
  171    HE   ARG  22           HE       ARG  22   1.695  -6.081  -9.409
  172   1HH1  ARG  22          2HH2      ARG  22   0.337  -6.284  -6.165
  173   2HH1  ARG  22          1HH2      ARG  22  -1.298  -5.966  -6.699
  174   1HH2  ARG  22          2HH1      ARG  22  -0.276  -5.690 -10.089
  175   2HH2  ARG  22          1HH1      ARG  22  -1.648  -5.483  -9.035
  176    H    LYS  23           HN       LYS  23   6.381  -6.637  -3.449
  177    HA   LYS  23           HA       LYS  23   5.851  -9.037  -2.117
  178   1HB   LYS  23          2HB       LYS  23   7.978  -7.000  -1.349
  179   2HB   LYS  23          3HB       LYS  23   7.943  -8.701  -0.931
  180   1HG   LYS  23          2HG       LYS  23   8.301  -7.581  -3.737
  181   2HG   LYS  23          3HG       LYS  23   9.575  -8.067  -2.625
  182   1HD   LYS  23          2HD       LYS  23   8.481 -10.403  -2.616
  183   2HD   LYS  23          3HD       LYS  23   7.425  -9.819  -3.915
  184   1HE   LYS  23          2HE       LYS  23   9.339 -11.042  -4.842
  185   2HE   LYS  23          3HE       LYS  23   9.405  -9.339  -5.336
  186   1HZ   LYS  23          1HZ       LYS  23  10.925 -10.479  -3.067
  187   2HZ   LYS  23          2HZ       LYS  23  11.556 -10.253  -4.578
  188   3HZ   LYS  23          3HZ       LYS  23  11.090  -8.968  -3.712
  189    H    ALA  24           HN       ALA  24   6.159  -5.599  -1.113
  190    HA   ALA  24           HA       ALA  24   5.612  -6.060   1.614
  191   1HB   ALA  24          2HB       ALA  24   6.639  -4.004   0.718
  192   2HB   ALA  24          3HB       ALA  24   5.080  -3.534   0.004
  193   3HB   ALA  24          1HB       ALA  24   5.253  -3.675   1.773
  194    H    TYR  25           HN       TYR  25   3.380  -4.954  -0.965
  195    HA   TYR  25           HA       TYR  25   1.026  -4.790   0.536
  196   1HB   TYR  25          2HB       TYR  25   1.146  -3.923  -1.702
  197   2HB   TYR  25          3HB       TYR  25   1.620  -5.481  -2.363
  198    HD1  TYR  25           HD2      TYR  25  -1.276  -3.523  -1.102
  199    HD2  TYR  25           HD1      TYR  25   0.056  -7.183  -2.962
  200    HE1  TYR  25           HE2      TYR  25  -3.617  -4.090  -1.695
  201    HE2  TYR  25           HE1      TYR  25  -2.279  -7.754  -3.509
  202    HH   TYR  25           HH       TYR  25  -4.467  -7.310  -2.918
  203    H    LYS  26           HN       LYS  26   2.324  -7.668  -1.265
  204    HA   LYS  26           HA       LYS  26   0.263  -9.411  -0.592
  205   1HB   LYS  26          2HB       LYS  26   1.790 -10.024  -2.281
  206   2HB   LYS  26          3HB       LYS  26   3.203  -9.761  -1.227
  207   1HG   LYS  26          2HG       LYS  26   2.730 -11.719   0.085
  208   2HG   LYS  26          3HG       LYS  26   1.147 -11.905  -0.684
  209   1HD   LYS  26          2HD       LYS  26   2.947 -13.490  -1.430
  210   2HD   LYS  26          3HD       LYS  26   2.080 -12.654  -2.707
  211   1HE   LYS  26          2HE       LYS  26   4.762 -11.569  -1.663
  212   2HE   LYS  26          3HE       LYS  26   4.701 -12.922  -2.794
  213   1HZ   LYS  26          1HZ       LYS  26   3.411 -11.603  -4.282
  214   2HZ   LYS  26          2HZ       LYS  26   3.741 -10.208  -3.405
  215   3HZ   LYS  26          3HZ       LYS  26   4.937 -11.129  -4.118
  216    H    ARG  27           HN       ARG  27   3.371  -8.764   0.991
  217    HA   ARG  27           HA       ARG  27   3.248 -10.710   2.966
  218   1HB   ARG  27          2HB       ARG  27   5.300  -9.493   2.404
  219   2HB   ARG  27          3HB       ARG  27   4.595  -7.963   2.921
  220   1HG   ARG  27          2HG       ARG  27   4.528  -8.713   5.254
  221   2HG   ARG  27          3HG       ARG  27   5.187 -10.290   4.772
  222   1HD   ARG  27          2HD       ARG  27   7.281  -9.167   3.988
  223   2HD   ARG  27          3HD       ARG  27   6.551  -7.593   4.298
  224    HE   ARG  27           HE       ARG  27   7.028  -7.708   6.495
  225   1HH1  ARG  27          2HH2      ARG  27   7.107 -10.986   5.222
  226   2HH1  ARG  27          1HH2      ARG  27   7.646 -11.724   6.706
  227   1HH2  ARG  27          2HH1      ARG  27   8.299  -8.543   8.225
  228   2HH2  ARG  27          1HH1      ARG  27   8.570 -10.270   8.369
  229    H    LEU  28           HN       LEU  28   2.227  -7.250   3.114
  230    HA   LEU  28           HA       LEU  28   1.392  -7.411   5.860
  231   1HB   LEU  28          2HB       LEU  28   0.894  -5.380   3.643
  232   2HB   LEU  28          3HB       LEU  28   0.116  -5.365   5.236
  233    HG   LEU  28           HG       LEU  28   2.416  -5.475   6.309
  234   1HD1  LEU  28          3HD1      LEU  28   3.723  -6.021   4.269
  235   2HD1  LEU  28          1HD1      LEU  28   3.244  -4.443   3.569
  236   3HD1  LEU  28          2HD1      LEU  28   4.262  -4.531   5.015
  237   1HD2  LEU  28          1HD2      LEU  28   1.500  -3.015   4.772
  238   2HD2  LEU  28          2HD2      LEU  28   1.044  -3.484   6.429
  239   3HD2  LEU  28          3HD2      LEU  28   2.704  -2.996   6.080
  240    H    ALA  29           HN       ALA  29  -0.322  -7.779   2.723
  241    HA   ALA  29           HA       ALA  29  -2.926  -7.892   3.722
  242   1HB   ALA  29          2HB       ALA  29  -2.292  -7.846   1.320
  243   2HB   ALA  29          3HB       ALA  29  -1.790  -9.549   1.435
  244   3HB   ALA  29          1HB       ALA  29  -3.484  -9.092   1.686
  245    H    MET  30           HN       MET  30  -0.411 -10.384   3.766
  246    HA   MET  30           HA       MET  30  -2.119 -12.410   4.895
  247   1HB   MET  30          2HB       MET  30   0.844 -12.260   4.288
  248   2HB   MET  30          3HB       MET  30   0.032 -13.728   4.853
  249   1HG   MET  30          2HG       MET  30  -1.222 -13.945   2.871
  250   2HG   MET  30          3HG       MET  30  -0.894 -12.294   2.342
  251   1HE   MET  30          2HE       MET  30  -0.568 -13.277   0.050
  252   2HE   MET  30          3HE       MET  30   0.752 -14.381  -0.416
  253   3HE   MET  30          1HE       MET  30  -0.610 -14.981   0.565
  254    H    LYS  31           HN       LYS  31  -0.506  -9.779   6.284
  255    HA   LYS  31           HA       LYS  31   0.694 -11.021   8.573
  256   1HB   LYS  31          2HB       LYS  31   1.271  -8.828   7.447
  257   2HB   LYS  31          3HB       LYS  31  -0.143  -8.122   8.235
  258   1HG   LYS  31          2HG       LYS  31   1.586  -7.535   9.676
  259   2HG   LYS  31          3HG       LYS  31   0.923  -8.966  10.457
  260   1HD   LYS  31          2HD       LYS  31   3.248  -9.314  10.538
  261   2HD   LYS  31          3HD       LYS  31   2.724 -10.308   9.187
  262   1HE   LYS  31          2HE       LYS  31   4.576  -9.281   8.247
  263   2HE   LYS  31          3HE       LYS  31   3.336  -8.132   7.732
  264   1HZ   LYS  31          2HZ       LYS  31   3.938  -6.822   9.750
  265   2HZ   LYS  31          3HZ       LYS  31   5.191  -7.877   9.994
  266   3HZ   LYS  31          1HZ       LYS  31   5.126  -6.943   8.630
  267    H    TYR  32           HN       TYR  32  -2.326  -9.406   7.844
  268    HA   TYR  32           HA       TYR  32  -3.564 -10.156  10.472
  269   1HB   TYR  32          2HB       TYR  32  -5.152  -8.263   9.874
  270   2HB   TYR  32          3HB       TYR  32  -3.564  -7.832  10.449
  271    HD1  TYR  32           HD2      TYR  32  -5.550  -8.198   7.238
  272    HD2  TYR  32           HD1      TYR  32  -2.138  -6.423   9.202
  273    HE1  TYR  32           HE2      TYR  32  -4.905  -7.127   5.147
  274    HE2  TYR  32           HE1      TYR  32  -1.612  -5.185   7.124
  275    HH   TYR  32           HH       TYR  32  -3.336  -5.871   4.084
  276    H    HIS  33           HN       HIS  33  -3.150 -11.960   8.552
  277    HA   HIS  33           HA       HIS  33  -4.481 -12.278   6.296
  278   1HB   HIS  33          2HB       HIS  33  -2.941 -13.885   7.377
  279   2HB   HIS  33          3HB       HIS  33  -4.265 -14.476   8.381
  280    HD1  HIS  33           HD1      HIS  33  -5.848 -16.261   7.233
  281    HD2  HIS  33           HD2      HIS  33  -2.863 -14.553   4.798
  282    HE1  HIS  33           HE1      HIS  33  -5.520 -17.828   5.258
  283    HA   PRO  34           HA       PRO  34  -8.783 -12.043   7.281
  284   1HB   PRO  34          2HB       PRO  34  -9.942 -12.868   4.931
  285   2HB   PRO  34          3HB       PRO  34  -9.222 -11.275   5.228
  286   1HG   PRO  34          2HG       PRO  34  -7.935 -13.615   3.829
  287   2HG   PRO  34          3HG       PRO  34  -7.893 -11.882   3.404
  288   1HD   PRO  34          2HD       PRO  34  -5.857 -13.140   4.712
  289   2HD   PRO  34          3HD       PRO  34  -6.270 -11.428   5.036
  290    H    ASP  35           HN       ASP  35  -8.979 -14.903   5.167
  291    HA   ASP  35           HA       ASP  35 -10.237 -16.719   5.536
  292   1HB   ASP  35          2HB       ASP  35  -8.960 -18.447   6.086
  293   2HB   ASP  35          3HB       ASP  35  -7.786 -17.197   5.660
  294    H    ARG  36           HN       ARG  36 -12.210 -16.308   6.366
  295    HA   ARG  36           HA       ARG  36 -13.787 -15.866   7.658
  296   1HB   ARG  36          2HB       ARG  36 -13.433 -17.371  10.013
  297   2HB   ARG  36          3HB       ARG  36 -14.443 -17.603   8.564
  298   1HG   ARG  36          2HG       ARG  36 -13.170 -19.219   7.655
  299   2HG   ARG  36          3HG       ARG  36 -11.652 -18.709   8.378
  300   1HD   ARG  36          2HD       ARG  36 -13.846 -19.842  10.106
  301   2HD   ARG  36          3HD       ARG  36 -12.660 -20.840   9.265
  302    HE   ARG  36           HE       ARG  36 -10.813 -19.707  10.346
  303   1HH1  ARG  36          2HH2      ARG  36 -13.932 -19.521  12.070
  304   2HH1  ARG  36          1HH2      ARG  36 -13.131 -19.101  13.576
  305   1HH2  ARG  36          2HH1      ARG  36  -9.888 -19.017  12.312
  306   2HH2  ARG  36          1HH1      ARG  36 -10.913 -18.835  13.712
  307    H    ASN  37           HN       ASN  37 -10.803 -14.953   9.177
  308    HA   ASN  37           HA       ASN  37 -10.381 -13.457  10.824
  309   1HB   ASN  37          2HB       ASN  37 -10.812 -11.233  10.109
  310   2HB   ASN  37          3HB       ASN  37 -10.477 -12.235   8.721
  311   1HD2  ASN  37          2HD2      ASN  37 -13.882 -10.076   8.859
  312   2HD2  ASN  37          1HD2      ASN  37 -12.847 -10.171  10.274
  313    H    GLN  38           HN       GLN  38 -11.903 -14.980  12.220
  314    HA   GLN  38           HA       GLN  38 -14.521 -14.060  12.748
  315   1HB   GLN  38          2HB       GLN  38 -14.569 -15.505  14.664
  316   2HB   GLN  38          3HB       GLN  38 -13.869 -16.304  13.254
  317   1HG   GLN  38          2HG       GLN  38 -11.580 -15.951  14.238
  318   2HG   GLN  38          3HG       GLN  38 -12.338 -15.240  15.677
  319   1HE2  GLN  38          2HE2      GLN  38 -13.679 -18.322  16.902
  320   2HE2  GLN  38          1HE2      GLN  38 -14.020 -16.601  16.782
  321    H    GLY  39           HN       GLY  39 -15.171 -12.186  13.625
  322   1HA   GLY  39          1HA       GLY  39 -15.352 -10.504  15.234
  323   2HA   GLY  39          2HA       GLY  39 -13.887 -11.079  16.043
  324    H    ASP  40           HN       ASP  40 -12.018 -11.113  14.026
  325    HA   ASP  40           HA       ASP  40 -11.004  -8.579  14.275
  326   1HB   ASP  40          2HB       ASP  40  -9.621 -10.517  13.747
  327   2HB   ASP  40          3HB       ASP  40 -10.378 -10.648  12.145
  328    H    LYS  41           HN       LYS  41 -10.594  -6.937  12.828
  329    HA   LYS  41           HA       LYS  41 -12.433  -6.224  10.683
  330   1HB   LYS  41          2HB       LYS  41 -13.080  -5.619  13.539
  331   2HB   LYS  41          3HB       LYS  41 -13.141  -4.215  12.467
  332   1HG   LYS  41          2HG       LYS  41 -14.925  -5.021  11.210
  333   2HG   LYS  41          3HG       LYS  41 -14.497  -6.690  11.524
  334   1HD   LYS  41          2HD       LYS  41 -16.499  -6.352  12.677
  335   2HD   LYS  41          3HD       LYS  41 -15.258  -6.457  13.910
  336   1HE   LYS  41          2HE       LYS  41 -16.686  -3.946  12.888
  337   2HE   LYS  41          3HE       LYS  41 -16.893  -4.742  14.449
  338   1HZ   LYS  41          3HZ       LYS  41 -14.450  -4.131  14.843
  339   2HZ   LYS  41          1HZ       LYS  41 -14.632  -3.087  13.566
  340   3HZ   LYS  41          2HZ       LYS  41 -15.581  -2.957  14.877
  341    H    GLU  42           HN       GLU  42 -10.032  -5.222  13.247
  342    HA   GLU  42           HA       GLU  42  -9.336  -2.788  12.188
  343   1HB   GLU  42          2HB       GLU  42  -8.749  -4.017  14.442
  344   2HB   GLU  42          3HB       GLU  42  -7.526  -4.890  13.482
  345   1HG   GLU  42          2HG       GLU  42  -6.887  -2.671  12.606
  346   2HG   GLU  42          3HG       GLU  42  -7.842  -1.873  13.867
  347    H    ALA  43           HN       ALA  43  -8.421  -6.169  11.356
  348    HA   ALA  43           HA       ALA  43  -6.396  -5.827   9.623
  349   1HB   ALA  43          1HB       ALA  43  -8.878  -7.608   9.496
  350   2HB   ALA  43          2HB       ALA  43  -7.464  -7.848   8.446
  351   3HB   ALA  43          3HB       ALA  43  -7.295  -7.998  10.197
  352    H    GLU  44           HN       GLU  44  -9.877  -5.261   8.962
  353    HA   GLU  44           HA       GLU  44  -9.579  -4.809   6.149
  354   1HB   GLU  44          2HB       GLU  44 -11.649  -3.812   8.162
  355   2HB   GLU  44          3HB       GLU  44 -11.734  -3.577   6.427
  356   1HG   GLU  44          2HG       GLU  44 -11.256  -6.424   7.131
  357   2HG   GLU  44          3HG       GLU  44 -12.723  -5.766   7.865
  358    H    ALA  45           HN       ALA  45  -9.780  -2.518   8.943
  359    HA   ALA  45           HA       ALA  45  -9.423  -0.259   7.353
  360   1HB   ALA  45          1HB       ALA  45  -8.825  -0.731  10.320
  361   2HB   ALA  45          2HB       ALA  45  -8.861   0.874   9.563
  362   3HB   ALA  45          3HB       ALA  45 -10.341  -0.101   9.629
  363    H    LYS  46           HN       LYS  46  -7.119  -2.434   8.839
  364    HA   LYS  46           HA       LYS  46  -4.816  -0.773   8.344
  365   1HB   LYS  46          2HB       LYS  46  -5.108  -2.851   9.960
  366   2HB   LYS  46          3HB       LYS  46  -4.630  -3.819   8.559
  367   1HG   LYS  46          2HG       LYS  46  -2.632  -2.165   8.343
  368   2HG   LYS  46          3HG       LYS  46  -3.281  -1.397   9.809
  369   1HD   LYS  46          2HD       LYS  46  -3.008  -3.802  10.860
  370   2HD   LYS  46          3HD       LYS  46  -1.797  -3.995   9.578
  371   1HE   LYS  46          2HE       LYS  46  -1.916  -1.877  11.792
  372   2HE   LYS  46          3HE       LYS  46  -0.709  -3.150  11.637
  373   1HZ   LYS  46          3HZ       LYS  46  -1.028  -0.837   9.793
  374   2HZ   LYS  46          1HZ       LYS  46   0.031  -0.950  10.989
  375   3HZ   LYS  46          2HZ       LYS  46   0.185  -1.960   9.707
  376    H    PHE  47           HN       PHE  47  -6.414  -3.479   6.621
  377    HA   PHE  47           HA       PHE  47  -4.674  -3.455   4.406
  378   1HB   PHE  47          2HB       PHE  47  -6.304  -5.298   4.847
  379   2HB   PHE  47          3HB       PHE  47  -7.622  -4.199   4.506
  380    HD1  PHE  47          1HD       PHE  47  -4.372  -4.926   2.679
  381    HD2  PHE  47          2HD       PHE  47  -8.670  -4.613   2.452
  382    HE1  PHE  47          1HE       PHE  47  -4.284  -5.486   0.287
  383    HE2  PHE  47          2HE       PHE  47  -8.555  -5.018   0.019
  384    HZ   PHE  47           HZ       PHE  47  -6.365  -5.447  -1.079
  385    H    LYS  48           HN       LYS  48  -7.440  -1.342   5.279
  386    HA   LYS  48           HA       LYS  48  -7.915  -0.345   2.695
  387   1HB   LYS  48          2HB       LYS  48  -8.313   0.976   5.381
  388   2HB   LYS  48          3HB       LYS  48  -8.710   1.750   3.843
  389   1HG   LYS  48          2HG       LYS  48 -10.178  -0.129   3.214
  390   2HG   LYS  48          3HG       LYS  48  -9.757  -0.948   4.697
  391   1HD   LYS  48          2HD       LYS  48 -10.642   1.115   5.945
  392   2HD   LYS  48          3HD       LYS  48 -11.105   1.774   4.379
  393   1HE   LYS  48          2HE       LYS  48 -12.596  -0.334   4.094
  394   2HE   LYS  48          3HE       LYS  48 -12.252  -0.667   5.804
  395   1HZ   LYS  48          3HZ       LYS  48 -13.096   1.619   6.225
  396   2HZ   LYS  48          1HZ       LYS  48 -13.641   1.660   4.659
  397   3HZ   LYS  48          2HZ       LYS  48 -14.226   0.546   5.769
  398    H    GLU  49           HN       GLU  49  -5.700   0.817   5.304
  399    HA   GLU  49           HA       GLU  49  -4.683   3.036   3.850
  400   1HB   GLU  49          2HB       GLU  49  -3.414   1.313   6.041
  401   2HB   GLU  49          3HB       GLU  49  -2.758   2.840   5.437
  402   1HG   GLU  49          2HG       GLU  49  -4.954   3.936   5.971
  403   2HG   GLU  49          3HG       GLU  49  -5.462   2.456   6.787
  404    H    ILE  50           HN       ILE  50  -3.688  -0.350   3.935
  405    HA   ILE  50           HA       ILE  50  -1.275   0.061   2.393
  406    HB   ILE  50           HB       ILE  50  -2.862  -2.409   3.137
  407   1HG1  ILE  50          2HG1      ILE  50  -0.276  -1.398   4.402
  408   2HG1  ILE  50          3HG1      ILE  50  -1.817  -0.803   4.991
  409   1HG2  ILE  50          3HG2      ILE  50  -1.275  -2.860   1.232
  410   2HG2  ILE  50          1HG2      ILE  50   0.058  -2.295   2.260
  411   3HG2  ILE  50          2HG2      ILE  50  -0.861  -3.735   2.701
  412   1HD1  ILE  50          2HD1      ILE  50  -1.049  -3.698   4.907
  413   2HD1  ILE  50          3HD1      ILE  50  -1.121  -2.667   6.351
  414   3HD1  ILE  50          1HD1      ILE  50  -2.598  -3.072   5.465
  415    H    LYS  51           HN       LYS  51  -4.654  -0.808   1.611
  416    HA   LYS  51           HA       LYS  51  -4.107  -1.391  -1.129
  417   1HB   LYS  51          2HB       LYS  51  -5.921  -2.447   0.085
  418   2HB   LYS  51          3HB       LYS  51  -6.635  -0.892   0.491
  419   1HG   LYS  51          2HG       LYS  51  -7.885  -2.028  -1.268
  420   2HG   LYS  51          3HG       LYS  51  -7.319  -0.431  -1.717
  421   1HD   LYS  51          2HD       LYS  51  -5.274  -1.971  -2.794
  422   2HD   LYS  51          3HD       LYS  51  -6.556  -3.167  -2.753
  423   1HE   LYS  51          2HE       LYS  51  -6.385  -1.994  -4.918
  424   2HE   LYS  51          3HE       LYS  51  -7.967  -1.705  -4.179
  425   1HZ   LYS  51          2HZ       LYS  51  -5.847   0.261  -3.684
  426   2HZ   LYS  51          3HZ       LYS  51  -6.528   0.202  -5.185
  427   3HZ   LYS  51          1HZ       LYS  51  -7.476   0.462  -3.877
  428    H    GLU  52           HN       GLU  52  -5.139   1.409   0.724
  429    HA   GLU  52           HA       GLU  52  -5.820   3.292  -1.328
  430   1HB   GLU  52          2HB       GLU  52  -6.327   3.486   1.121
  431   2HB   GLU  52          3HB       GLU  52  -4.602   3.670   1.438
  432   1HG   GLU  52          2HG       GLU  52  -5.428   5.818   1.455
  433   2HG   GLU  52          3HG       GLU  52  -4.690   5.718  -0.148
  434    H    ALA  53           HN       ALA  53  -2.833   2.647   0.578
  435    HA   ALA  53           HA       ALA  53  -1.065   4.236  -0.888
  436   1HB   ALA  53          3HB       ALA  53  -0.577   1.494   0.371
  437   2HB   ALA  53          1HB       ALA  53   0.677   2.609  -0.179
  438   3HB   ALA  53          2HB       ALA  53  -0.371   3.044   1.187
  439    H    TYR  54           HN       TYR  54  -1.914   0.790  -1.519
  440    HA   TYR  54           HA       TYR  54  -0.493   0.606  -3.919
  441   1HB   TYR  54          2HB       TYR  54  -1.843  -1.192  -2.606
  442   2HB   TYR  54          3HB       TYR  54  -3.200  -0.717  -3.626
  443    HD1  TYR  54           HD1      TYR  54  -2.736  -0.664  -6.218
  444    HD2  TYR  54           HD2      TYR  54  -0.177  -2.659  -3.386
  445    HE1  TYR  54           HE1      TYR  54  -1.472  -1.675  -8.065
  446    HE2  TYR  54           HE2      TYR  54   0.982  -3.805  -5.243
  447    HH   TYR  54           HH       TYR  54   0.277  -3.042  -8.662
  448    H    GLU  55           HN       GLU  55  -3.773   1.925  -3.382
  449    HA   GLU  55           HA       GLU  55  -4.518   2.328  -6.095
  450   1HB   GLU  55          2HB       GLU  55  -6.473   2.576  -5.080
  451   2HB   GLU  55          3HB       GLU  55  -5.707   2.549  -3.504
  452   1HG   GLU  55          2HG       GLU  55  -5.470   4.950  -3.506
  453   2HG   GLU  55          3HG       GLU  55  -6.161   5.005  -5.136
  454    H    VAL  56           HN       VAL  56  -2.492   4.182  -3.950
  455    HA   VAL  56           HA       VAL  56  -2.530   6.541  -5.751
  456    HB   VAL  56           HB       VAL  56  -1.184   5.976  -3.102
  457   1HG1  VAL  56          2HG1      VAL  56  -0.994   8.365  -4.988
  458   2HG1  VAL  56          3HG1      VAL  56  -0.599   8.455  -3.261
  459   3HG1  VAL  56          1HG1      VAL  56   0.356   7.417  -4.321
  460   1HG2  VAL  56          1HG2      VAL  56  -3.639   6.443  -3.115
  461   2HG2  VAL  56          2HG2      VAL  56  -2.730   7.787  -2.419
  462   3HG2  VAL  56          3HG2      VAL  56  -3.340   7.915  -4.068
  463    H    LEU  57           HN       LEU  57  -0.423   3.801  -4.871
  464    HA   LEU  57           HA       LEU  57   1.872   5.191  -5.898
  465   1HB   LEU  57          2HB       LEU  57   1.459   2.423  -4.672
  466   2HB   LEU  57          3HB       LEU  57   3.035   2.956  -5.275
  467    HG   LEU  57           HG       LEU  57   1.465   4.300  -3.029
  468   1HD1  LEU  57          2HD1      LEU  57   4.163   2.883  -3.110
  469   2HD1  LEU  57          3HD1      LEU  57   3.423   3.655  -1.696
  470   3HD1  LEU  57          1HD1      LEU  57   2.668   2.218  -2.407
  471   1HD2  LEU  57          1HD2      LEU  57   3.811   5.124  -4.701
  472   2HD2  LEU  57          2HD2      LEU  57   2.409   6.085  -4.141
  473   3HD2  LEU  57          3HD2      LEU  57   3.684   5.654  -3.002
  474    H    THR  58           HN       THR  58   1.355   1.855  -6.809
  475    HA   THR  58           HA       THR  58   2.454   2.591  -9.480
  476    HB   THR  58           HB       THR  58   3.602   0.785  -8.440
  477    HG1  THR  58          1HG       THR  58   1.824   0.041 -10.490
  478   1HG2  THR  58          3HG2      THR  58   0.899  -0.562  -8.114
  479   2HG2  THR  58          1HG2      THR  58   2.469  -1.349  -7.842
  480   3HG2  THR  58          2HG2      THR  58   1.968  -0.028  -6.796
  481    H    ASP  59           HN       ASP  59  -0.246   3.360  -8.369
  482    HA   ASP  59           HA       ASP  59  -1.810   2.561 -10.736
  483   1HB   ASP  59          2HB       ASP  59  -2.214   0.733  -8.995
  484   2HB   ASP  59          3HB       ASP  59  -2.795   2.003  -7.901
  485    H    SER  60           HN       SER  60  -2.789   4.531 -11.313
  486    HA   SER  60           HA       SER  60  -3.435   6.528 -11.279
  487   1HB   SER  60          2HB       SER  60  -4.242   7.835  -9.580
  488   2HB   SER  60          3HB       SER  60  -4.766   6.171  -9.273
  489    HG   SER  60           HG       SER  60  -2.954   6.105  -7.774
  490    H    GLN  61           HN       GLN  61  -2.105   7.849 -12.147
  491    HA   GLN  61           HA       GLN  61   0.673   7.974 -11.546
  492   1HB   GLN  61          2HB       GLN  61  -0.166   8.293 -13.773
  493   2HB   GLN  61          3HB       GLN  61  -1.147   9.702 -13.295
  494   1HG   GLN  61          2HG       GLN  61   0.692  11.066 -13.025
  495   2HG   GLN  61          3HG       GLN  61   1.773   9.687 -12.688
  496   1HE2  GLN  61          2HE2      GLN  61   2.678   8.968 -16.006
  497   2HE2  GLN  61          1HE2      GLN  61   2.467   8.301 -14.382
  498    H    LYS  62           HN       LYS  62  -1.934   9.286  -9.889
  499    HA   LYS  62           HA       LYS  62  -1.169  11.681  -8.763
  500   1HB   LYS  62          2HB       LYS  62  -2.216   9.186  -7.392
  501   2HB   LYS  62          3HB       LYS  62  -1.953  10.731  -6.573
  502   1HG   LYS  62          2HG       LYS  62  -3.376  11.859  -8.320
  503   2HG   LYS  62          3HG       LYS  62  -3.849  10.253  -8.905
  504   1HD   LYS  62          2HD       LYS  62  -4.783   9.691  -6.716
  505   2HD   LYS  62          3HD       LYS  62  -4.115  11.160  -5.992
  506   1HE   LYS  62          2HE       LYS  62  -5.491  12.522  -7.649
  507   2HE   LYS  62          3HE       LYS  62  -6.298  11.021  -8.140
  508   1HZ   LYS  62          1HZ       LYS  62  -6.300  12.163  -5.405
  509   2HZ   LYS  62          2HZ       LYS  62  -7.475  12.352  -6.532
  510   3HZ   LYS  62          3HZ       LYS  62  -7.194  10.865  -5.899
  511    H    ARG  63           HN       ARG  63   0.478   8.534  -8.207
  512    HA   ARG  63           HA       ARG  63   2.256   9.419  -6.174
  513   1HB   ARG  63          2HB       ARG  63   1.856   7.146  -6.884
  514   2HB   ARG  63          3HB       ARG  63   2.678   7.398  -8.409
  515   1HG   ARG  63          2HG       ARG  63   3.839   7.402  -5.579
  516   2HG   ARG  63          3HG       ARG  63   3.973   6.133  -6.815
  517   1HD   ARG  63          2HD       ARG  63   5.157   7.960  -8.250
  518   2HD   ARG  63          3HD       ARG  63   5.334   8.807  -6.681
  519    HE   ARG  63           HE       ARG  63   6.184   5.972  -6.769
  520   1HH1  ARG  63          2HH2      ARG  63   7.202   9.336  -7.137
  521   2HH1  ARG  63          1HH2      ARG  63   8.887   8.991  -6.886
  522   1HH2  ARG  63          2HH1      ARG  63   8.340   5.462  -6.762
  523   2HH2  ARG  63          1HH1      ARG  63   9.549   6.705  -7.138
  524    H    ALA  64           HN       ALA  64   2.832   9.348  -9.772
  525    HA   ALA  64           HA       ALA  64   5.395  10.605  -9.512
  526   1HB   ALA  64          3HB       ALA  64   4.713   9.187 -11.467
  527   2HB   ALA  64          1HB       ALA  64   3.652  10.518 -11.992
  528   3HB   ALA  64          2HB       ALA  64   5.397  10.769 -11.906
  529    H    ALA  65           HN       ALA  65   2.107  11.773 -10.237
  530    HA   ALA  65           HA       ALA  65   2.608  14.460 -10.710
  531   1HB   ALA  65          1HB       ALA  65   0.347  13.111  -9.200
  532   2HB   ALA  65          2HB       ALA  65   0.281  14.780  -9.726
  533   3HB   ALA  65          3HB       ALA  65   0.375  13.479 -10.939
  534    H    TYR  66           HN       TYR  66   2.136  12.738  -7.560
  535    HA   TYR  66           HA       TYR  66   2.502  15.033  -5.964
  536   1HB   TYR  66          2HB       TYR  66   1.537  13.025  -5.043
  537   2HB   TYR  66          3HB       TYR  66   3.048  12.136  -5.261
  538    HD1  TYR  66           HD2      TYR  66   1.406  14.920  -3.431
  539    HD2  TYR  66           HD1      TYR  66   4.927  12.456  -3.719
  540    HE1  TYR  66           HE2      TYR  66   2.336  16.024  -1.425
  541    HE2  TYR  66           HE1      TYR  66   5.793  13.466  -1.622
  542    HH   TYR  66           HH       TYR  66   4.083  16.080   0.083
  543    H    ASP  67           HN       ASP  67   4.855  12.668  -7.273
  544    HA   ASP  67           HA       ASP  67   7.095  13.726  -5.883
  545   1HB   ASP  67          2HB       ASP  67   7.009  11.545  -7.162
  546   2HB   ASP  67          3HB       ASP  67   7.182  12.485  -8.659
  547    H    GLN  68           HN       GLN  68   5.599  14.696  -8.990
  548    HA   GLN  68           HA       GLN  68   7.671  16.552  -9.635
  549   1HB   GLN  68          2HB       GLN  68   6.289  15.301 -11.269
  550   2HB   GLN  68          3HB       GLN  68   4.853  16.214 -10.771
  551   1HG   GLN  68          2HG       GLN  68   5.930  18.303 -11.440
  552   2HG   GLN  68          3HG       GLN  68   7.424  17.444 -11.831
  553   1HE2  GLN  68          2HE2      GLN  68   6.245  17.653 -15.178
  554   2HE2  GLN  68          1HE2      GLN  68   7.227  18.445 -13.961
  555    H    TYR  69           HN       TYR  69   4.215  17.078  -8.707
  556    HA   TYR  69           HA       TYR  69   4.929  19.759  -7.608
  557   1HB   TYR  69          2HB       TYR  69   2.546  20.301  -8.719
  558   2HB   TYR  69          3HB       TYR  69   4.079  20.513  -9.509
  559    HD1  TYR  69           HD2      TYR  69   1.617  17.667  -9.104
  560    HD2  TYR  69           HD1      TYR  69   4.026  20.066 -11.751
  561    HE1  TYR  69           HE2      TYR  69   0.784  16.387 -11.073
  562    HE2  TYR  69           HE1      TYR  69   3.242  18.732 -13.672
  563    HH   TYR  69           HH       TYR  69   1.801  17.064 -14.380
  564    H    GLY  70           HN       GLY  70   4.577  17.345  -6.068
  565   1HA   GLY  70          1HA       GLY  70   1.896  17.010  -5.270
  566   2HA   GLY  70          2HA       GLY  70   3.316  16.558  -4.303
  567    H    HIS  71           HN       HIS  71   4.084  19.411  -4.319
  568    HA   HIS  71           HA       HIS  71   2.026  20.568  -2.464
  569   1HB   HIS  71          2HB       HIS  71   3.843  21.547  -1.136
  570   2HB   HIS  71          3HB       HIS  71   3.826  19.788  -1.099
  571    HD1  HIS  71           HD1      HIS  71   5.849  18.543  -2.621
  572    HD2  HIS  71           HD2      HIS  71   6.089  22.684  -1.847
  573    HE1  HIS  71           HE1      HIS  71   8.252  19.233  -3.064
  574    H    ALA  72           HN       ALA  72   2.368  20.827  -5.388
  575    HA   ALA  72           HA       ALA  72   2.240  23.777  -5.405
  576   1HB   ALA  72          3HB       ALA  72   4.622  23.236  -5.916
  577   2HB   ALA  72          1HB       ALA  72   4.092  22.182  -7.240
  578   3HB   ALA  72          2HB       ALA  72   3.800  23.926  -7.328
  579    H    ALA  73           HN       ALA  73   0.792  20.953  -6.197
  580    HA   ALA  73           HA       ALA  73   0.277  21.289  -8.959
  581   1HB   ALA  73          3HB       ALA  73  -1.187  19.618  -6.885
  582   2HB   ALA  73          1HB       ALA  73  -1.368  19.484  -8.654
  583   3HB   ALA  73          2HB       ALA  73   0.186  19.112  -7.899
  584    H    PHE  74           HN       PHE  74  -1.410  22.619  -6.170
  585    HA   PHE  74           HA       PHE  74  -3.315  23.917  -8.064
  586   1HB   PHE  74          2HB       PHE  74  -4.279  21.870  -6.779
  587   2HB   PHE  74          3HB       PHE  74  -4.262  22.920  -5.373
  588    HD1  PHE  74          2HD       PHE  74  -5.366  22.768  -8.974
  589    HD2  PHE  74          1HD       PHE  74  -5.955  24.648  -5.152
  590    HE1  PHE  74          2HE       PHE  74  -7.412  23.877  -9.834
  591    HE2  PHE  74          1HE       PHE  74  -7.945  25.835  -6.055
  592    HZ   PHE  74           HZ       PHE  74  -8.704  25.400  -8.367
  593    H    GLU  75           HN       GLU  75  -1.899  25.625  -8.001
  594    HA   GLU  75           HA       GLU  75  -2.266  27.428  -5.722
  595   1HB   GLU  75          2HB       GLU  75  -0.182  26.049  -5.339
  596   2HB   GLU  75          3HB       GLU  75   0.530  26.775  -6.771
  597   1HG   GLU  75          2HG       GLU  75   0.645  28.923  -5.734
  598   2HG   GLU  75          3HG       GLU  75  -0.575  28.503  -4.524
  599    H    GLN  76           HN       GLN  76  -3.174  27.127  -8.578
  600    HA   GLN  76           HA       GLN  76  -1.808  29.080 -10.198
  601   1HB   GLN  76          2HB       GLN  76  -2.777  27.180 -11.283
  602   2HB   GLN  76          3HB       GLN  76  -4.315  27.398 -10.451
  603   1HG   GLN  76          2HG       GLN  76  -4.745  29.472 -11.727
  604   2HG   GLN  76          3HG       GLN  76  -3.171  29.293 -12.526
  605   1HE2  GLN  76          2HE2      GLN  76  -6.146  26.523 -13.446
  606   2HE2  GLN  76          1HE2      GLN  76  -6.055  27.197 -11.823
   
  No H/Q in entry =         606
  Start of MODEL    9
    1   1H    ALA   2          2HN       ALA   2  -2.899  14.779   8.736
    2   2H    ALA   2          3HN       ALA   2  -2.439  16.148   9.545
    3   3H    ALA   2          1HN       ALA   2  -2.919  16.202   7.959
    4    HA   ALA   2           HA       ALA   2  -0.562  16.376   7.974
    5   1HB   ALA   2          2HB       ALA   2  -0.761  13.744   9.505
    6   2HB   ALA   2          3HB       ALA   2   0.739  14.355   8.789
    7   3HB   ALA   2          1HB       ALA   2  -0.049  15.265  10.083
    8    H    LYS   3           HN       LYS   3   0.400  15.704   6.121
    9    HA   LYS   3           HA       LYS   3  -0.923  13.621   4.443
   10   1HB   LYS   3          2HB       LYS   3   0.908  14.235   2.849
   11   2HB   LYS   3          3HB       LYS   3  -0.342  15.462   3.125
   12   1HG   LYS   3          2HG       LYS   3   1.183  16.844   4.429
   13   2HG   LYS   3          3HG       LYS   3   2.273  15.473   4.652
   14   1HD   LYS   3          2HD       LYS   3   3.441  16.735   3.174
   15   2HD   LYS   3          3HD       LYS   3   2.751  15.479   2.176
   16   1HE   LYS   3          2HE       LYS   3   1.958  18.430   2.395
   17   2HE   LYS   3          3HE       LYS   3   2.601  17.559   0.998
   18   1HZ   LYS   3          3HZ       LYS   3   0.413  16.221   1.294
   19   2HZ   LYS   3          1HZ       LYS   3  -0.122  17.555   2.064
   20   3HZ   LYS   3          2HZ       LYS   3   0.425  17.649   0.502
   21    H    GLN   4           HN       GLN   4   0.408  11.791   3.786
   22    HA   GLN   4           HA       GLN   4   2.864  11.249   5.293
   23   1HB   GLN   4          2HB       GLN   4   0.980  10.589   6.761
   24   2HB   GLN   4          3HB       GLN   4   0.279   9.607   5.479
   25   1HG   GLN   4          2HG       GLN   4   1.520   8.341   7.277
   26   2HG   GLN   4          3HG       GLN   4   1.989   7.986   5.622
   27   1HE2  GLN   4          2HE2      GLN   4   5.366   9.023   6.054
   28   2HE2  GLN   4          1HE2      GLN   4   4.143   8.239   5.060
   29    H    ASP   5           HN       ASP   5   4.230  10.026   4.024
   30    HA   ASP   5           HA       ASP   5   3.409   9.226   1.346
   31   1HB   ASP   5          2HB       ASP   5   5.765  10.078   2.312
   32   2HB   ASP   5          3HB       ASP   5   6.006   8.351   2.619
   33    H    TYR   6           HN       TYR   6   4.018   6.883   0.694
   34    HA   TYR   6           HA       TYR   6   2.725   4.924   2.640
   35   1HB   TYR   6          2HB       TYR   6   1.807   5.539  -0.174
   36   2HB   TYR   6          3HB       TYR   6   1.165   4.327   0.934
   37    HD1  TYR   6           HD2      TYR   6   0.438   5.278   3.337
   38    HD2  TYR   6           HD1      TYR   6   0.334   7.337  -0.429
   39    HE1  TYR   6           HE2      TYR   6  -0.868   7.117   4.393
   40    HE2  TYR   6           HE1      TYR   6  -1.324   8.906   0.513
   41    HH   TYR   6           HH       TYR   6  -1.708  10.015   2.454
   42    H    TYR   7           HN       TYR   7   5.281   4.387   2.458
   43    HA   TYR   7           HA       TYR   7   5.210   2.052   0.555
   44   1HB   TYR   7          2HB       TYR   7   7.688   2.270   0.345
   45   2HB   TYR   7          3HB       TYR   7   6.723   3.436  -0.523
   46    HD1  TYR   7           HD1      TYR   7   8.965   2.945   2.395
   47    HD2  TYR   7           HD2      TYR   7   6.822   5.770  -0.064
   48    HE1  TYR   7           HE1      TYR   7   9.923   4.817   3.697
   49    HE2  TYR   7           HE2      TYR   7   7.922   7.624   1.138
   50    HH   TYR   7           HH       TYR   7   9.132   8.217   2.925
   51    H    GLU   8           HN       GLU   8   6.691   3.340   3.640
   52    HA   GLU   8           HA       GLU   8   7.598   0.714   4.291
   53   1HB   GLU   8          2HB       GLU   8   8.118   3.409   5.130
   54   2HB   GLU   8          3HB       GLU   8   7.440   2.565   6.518
   55   1HG   GLU   8          2HG       GLU   8   9.049   0.695   6.049
   56   2HG   GLU   8          3HG       GLU   8   9.804   1.691   4.792
   57    H    ILE   9           HN       ILE   9   4.710   2.585   4.776
   58    HA   ILE   9           HA       ILE   9   3.297   1.122   6.663
   59    HB   ILE   9           HB       ILE   9   2.654   2.693   4.207
   60   1HG1  ILE   9          2HG1      ILE   9   1.476   2.709   7.026
   61   2HG1  ILE   9          3HG1      ILE   9   3.002   3.492   6.625
   62   1HG2  ILE   9          3HG2      ILE   9   0.524   0.969   5.522
   63   2HG2  ILE   9          1HG2      ILE   9   0.248   2.266   4.340
   64   3HG2  ILE   9          2HG2      ILE   9   1.116   0.822   3.846
   65   1HD1  ILE   9          3HD1      ILE   9   1.870   4.898   4.954
   66   2HD1  ILE   9          1HD1      ILE   9   0.299   4.210   5.454
   67   3HD1  ILE   9          2HD1      ILE   9   1.269   5.146   6.601
   68    H    LEU  10           HN       LEU  10   4.131   0.130   3.260
   69    HA   LEU  10           HA       LEU  10   2.890  -2.467   3.818
   70   1HB   LEU  10          2HB       LEU  10   3.603  -2.920   1.466
   71   2HB   LEU  10          3HB       LEU  10   2.128  -2.063   1.834
   72    HG   LEU  10           HG       LEU  10   4.624  -0.728   0.735
   73   1HD1  LEU  10          1HD1      LEU  10   3.491  -2.304  -0.800
   74   2HD1  LEU  10          2HD1      LEU  10   1.951  -1.472  -0.512
   75   3HD1  LEU  10          3HD1      LEU  10   3.287  -0.621  -1.308
   76   1HD2  LEU  10          1HD2      LEU  10   1.831   0.303   1.362
   77   2HD2  LEU  10          2HD2      LEU  10   3.341   1.040   1.899
   78   3HD2  LEU  10          3HD2      LEU  10   2.977   1.050   0.207
   79    H    GLY  11           HN       GLY  11   6.098  -0.930   3.284
   80   1HA   GLY  11          1HA       GLY  11   7.809  -1.579   4.861
   81   2HA   GLY  11          2HA       GLY  11   7.227  -3.237   4.815
   82    H    VAL  12           HN       VAL  12   8.915  -0.734   3.003
   83    HA   VAL  12           HA       VAL  12  10.473  -2.559   1.398
   84    HB   VAL  12           HB       VAL  12   8.506  -2.800   0.119
   85   1HG1  VAL  12          3HG1      VAL  12   8.159   0.196   0.406
   86   2HG1  VAL  12          1HG1      VAL  12   7.267  -0.776  -0.768
   87   3HG1  VAL  12          2HG1      VAL  12   7.042  -1.077   0.958
   88   1HG2  VAL  12          2HG2      VAL  12  10.585  -2.124  -1.161
   89   2HG2  VAL  12          3HG2      VAL  12   9.027  -1.920  -1.987
   90   3HG2  VAL  12          1HG2      VAL  12   9.839  -0.514  -1.282
   91    H    SER  13           HN       SER  13  11.944  -1.164   0.005
   92    HA   SER  13           HA       SER  13  13.032   1.065   1.389
   93   1HB   SER  13          2HB       SER  13  14.201  -0.482  -0.225
   94   2HB   SER  13          3HB       SER  13  13.302   0.278  -1.541
   95    HG   SER  13           HG       SER  13  15.323   1.122  -1.357
   96    H    LYS  14           HN       LYS  14  13.240   3.301   0.261
   97    HA   LYS  14           HA       LYS  14  10.757   4.423   0.759
   98   1HB   LYS  14          2HB       LYS  14  13.265   5.579  -0.490
   99   2HB   LYS  14          3HB       LYS  14  11.793   6.523  -0.257
  100   1HG   LYS  14          2HG       LYS  14  13.185   7.002   1.547
  101   2HG   LYS  14          3HG       LYS  14  11.804   6.093   2.154
  102   1HD   LYS  14          2HD       LYS  14  13.141   4.093   2.446
  103   2HD   LYS  14          3HD       LYS  14  14.487   4.813   1.520
  104   1HE   LYS  14          2HE       LYS  14  14.722   6.579   3.300
  105   2HE   LYS  14          3HE       LYS  14  13.411   5.804   4.206
  106   1HZ   LYS  14          2HZ       LYS  14  15.962   4.476   3.520
  107   2HZ   LYS  14          3HZ       LYS  14  15.647   5.181   4.963
  108   3HZ   LYS  14          1HZ       LYS  14  14.751   3.894   4.500
  109    H    THR  15           HN       THR  15  12.403   4.561  -2.443
  110    HA   THR  15           HA       THR  15   9.700   4.928  -3.692
  111    HB   THR  15           HB       THR  15  10.929   6.415  -5.274
  112    HG1  THR  15          1HG       THR  15  13.019   6.103  -5.081
  113   1HG2  THR  15          1HG2      THR  15   9.649   7.302  -3.307
  114   2HG2  THR  15          2HG2      THR  15  11.112   7.214  -2.325
  115   3HG2  THR  15          3HG2      THR  15  11.054   8.317  -3.700
  116    H    ALA  16           HN       ALA  16  10.670   2.487  -3.053
  117    HA   ALA  16           HA       ALA  16  12.360   1.177  -4.833
  118   1HB   ALA  16          3HB       ALA  16  11.450   0.190  -2.751
  119   2HB   ALA  16          1HB       ALA  16   9.835   0.144  -3.486
  120   3HB   ALA  16          2HB       ALA  16  11.133  -0.878  -4.134
  121    H    GLU  17           HN       GLU  17  11.968  -0.223  -6.622
  122    HA   GLU  17           HA       GLU  17  10.102   0.569  -8.591
  123   1HB   GLU  17          2HB       GLU  17  12.350  -0.700  -8.717
  124   2HB   GLU  17          3HB       GLU  17  11.454  -2.150  -8.235
  125   1HG   GLU  17          2HG       GLU  17  10.195  -0.682 -10.471
  126   2HG   GLU  17          3HG       GLU  17  11.879  -1.087 -10.816
  127    H    GLU  18           HN       GLU  18   8.146  -0.456  -9.160
  128    HA   GLU  18           HA       GLU  18   6.358  -0.925  -7.114
  129   1HB   GLU  18          2HB       GLU  18   6.265  -2.092  -9.963
  130   2HB   GLU  18          3HB       GLU  18   4.885  -1.826  -8.906
  131   1HG   GLU  18          2HG       GLU  18   5.356   0.655  -9.030
  132   2HG   GLU  18          3HG       GLU  18   6.607   0.319 -10.240
  133    H    ARG  19           HN       ARG  19   8.540  -3.332  -8.758
  134    HA   ARG  19           HA       ARG  19   7.144  -5.660  -8.294
  135   1HB   ARG  19          2HB       ARG  19   9.959  -4.784  -8.751
  136   2HB   ARG  19          3HB       ARG  19   9.899  -6.130  -7.694
  137   1HG   ARG  19          2HG       ARG  19   8.776  -5.998 -10.464
  138   2HG   ARG  19          3HG       ARG  19  10.178  -6.909  -9.915
  139   1HD   ARG  19          2HD       ARG  19   8.930  -8.700  -9.394
  140   2HD   ARG  19          3HD       ARG  19   7.846  -7.766  -8.391
  141    HE   ARG  19           HE       ARG  19   6.409  -7.319 -10.250
  142   1HH1  ARG  19          2HH2      ARG  19   9.316  -8.807 -11.616
  143   2HH1  ARG  19          1HH2      ARG  19   8.399  -9.740 -12.775
  144   1HH2  ARG  19          2HH1      ARG  19   5.287  -8.521 -11.938
  145   2HH2  ARG  19          1HH1      ARG  19   6.272  -9.469 -13.055
  146    H    GLU  20           HN       GLU  20   9.492  -3.990  -6.164
  147    HA   GLU  20           HA       GLU  20   9.368  -6.010  -4.107
  148   1HB   GLU  20          2HB       GLU  20  11.358  -4.618  -4.560
  149   2HB   GLU  20          3HB       GLU  20  10.481  -3.180  -3.993
  150   1HG   GLU  20          2HG       GLU  20  10.171  -4.318  -1.771
  151   2HG   GLU  20          3HG       GLU  20  11.051  -5.708  -2.418
  152    H    ILE  21           HN       ILE  21   7.911  -2.870  -4.728
  153    HA   ILE  21           HA       ILE  21   6.395  -2.453  -2.380
  154    HB   ILE  21           HB       ILE  21   6.277  -1.830  -5.295
  155   1HG1  ILE  21          2HG1      ILE  21   7.706  -0.653  -3.554
  156   2HG1  ILE  21          3HG1      ILE  21   6.854   0.325  -4.764
  157   1HG2  ILE  21          3HG2      ILE  21   3.931  -1.054  -3.573
  158   2HG2  ILE  21          1HG2      ILE  21   4.361  -0.296  -5.112
  159   3HG2  ILE  21          2HG2      ILE  21   3.930  -2.003  -5.081
  160   1HD1  ILE  21          1HD1      ILE  21   5.580  -0.355  -2.102
  161   2HD1  ILE  21          2HD1      ILE  21   6.619   1.084  -2.345
  162   3HD1  ILE  21          3HD1      ILE  21   5.121   0.872  -3.293
  163    H    ARG  22           HN       ARG  22   5.663  -4.403  -5.299
  164    HA   ARG  22           HA       ARG  22   3.077  -5.150  -4.340
  165   1HB   ARG  22          2HB       ARG  22   4.617  -5.484  -6.748
  166   2HB   ARG  22          3HB       ARG  22   4.165  -7.103  -6.219
  167   1HG   ARG  22          2HG       ARG  22   1.806  -6.537  -6.202
  168   2HG   ARG  22          3HG       ARG  22   2.200  -4.809  -6.275
  169   1HD   ARG  22          2HD       ARG  22   1.476  -5.326  -8.483
  170   2HD   ARG  22          3HD       ARG  22   3.195  -5.044  -8.511
  171    HE   ARG  22           HE       ARG  22   3.456  -7.139  -9.366
  172   1HH1  ARG  22          2HH2      ARG  22   0.309  -6.965  -7.781
  173   2HH1  ARG  22          1HH2      ARG  22  -0.333  -8.258  -8.705
  174   1HH2  ARG  22          2HH1      ARG  22   2.625  -8.815 -10.488
  175   2HH2  ARG  22          1HH1      ARG  22   1.065  -9.515 -10.129
  176    H    LYS  23           HN       LYS  23   6.297  -6.711  -4.093
  177    HA   LYS  23           HA       LYS  23   5.494  -9.010  -2.748
  178   1HB   LYS  23          2HB       LYS  23   8.020  -7.389  -2.762
  179   2HB   LYS  23          3HB       LYS  23   7.766  -8.464  -1.393
  180   1HG   LYS  23          2HG       LYS  23   9.023  -9.595  -3.048
  181   2HG   LYS  23          3HG       LYS  23   7.428 -10.360  -2.854
  182   1HD   LYS  23          2HD       LYS  23   6.634  -9.387  -4.945
  183   2HD   LYS  23          3HD       LYS  23   8.025  -8.302  -5.006
  184   1HE   LYS  23          2HE       LYS  23   8.221 -10.234  -6.588
  185   2HE   LYS  23          3HE       LYS  23   9.569 -10.068  -5.452
  186   1HZ   LYS  23          2HZ       LYS  23   7.292 -11.914  -5.140
  187   2HZ   LYS  23          3HZ       LYS  23   8.780 -12.368  -5.661
  188   3HZ   LYS  23          1HZ       LYS  23   8.576 -11.851  -4.116
  189    H    ALA  24           HN       ALA  24   6.294  -5.771  -1.416
  190    HA   ALA  24           HA       ALA  24   5.936  -6.380   1.294
  191   1HB   ALA  24          2HB       ALA  24   6.931  -4.288   0.429
  192   2HB   ALA  24          3HB       ALA  24   5.307  -3.705  -0.029
  193   3HB   ALA  24          1HB       ALA  24   5.697  -4.027   1.658
  194    H    TYR  25           HN       TYR  25   3.576  -4.913  -0.998
  195    HA   TYR  25           HA       TYR  25   1.335  -4.957   0.700
  196   1HB   TYR  25          2HB       TYR  25   1.135  -3.903  -1.383
  197   2HB   TYR  25          3HB       TYR  25   1.508  -5.374  -2.302
  198    HD1  TYR  25           HD1      TYR  25  -0.215  -7.204  -2.476
  199    HD2  TYR  25           HD2      TYR  25  -1.081  -3.445  -0.552
  200    HE1  TYR  25           HE1      TYR  25  -2.620  -7.821  -2.315
  201    HE2  TYR  25           HE2      TYR  25  -3.485  -4.008  -0.539
  202    HH   TYR  25           HH       TYR  25  -4.713  -7.169  -1.480
  203    H    LYS  26           HN       LYS  26   2.415  -7.654  -1.511
  204    HA   LYS  26           HA       LYS  26   0.298  -9.286  -0.780
  205   1HB   LYS  26          2HB       LYS  26   1.093 -10.680  -2.283
  206   2HB   LYS  26          3HB       LYS  26   2.329  -9.485  -2.580
  207   1HG   LYS  26          2HG       LYS  26   3.583 -11.364  -2.420
  208   2HG   LYS  26          3HG       LYS  26   3.723 -10.818  -0.765
  209   1HD   LYS  26          2HD       LYS  26   1.716 -12.396  -0.229
  210   2HD   LYS  26          3HD       LYS  26   1.799 -12.913  -1.915
  211   1HE   LYS  26          2HE       LYS  26   4.237 -13.575  -1.487
  212   2HE   LYS  26          3HE       LYS  26   3.941 -13.261   0.235
  213   1HZ   LYS  26          3HZ       LYS  26   2.118 -14.977   0.044
  214   2HZ   LYS  26          1HZ       LYS  26   2.617 -15.271  -1.481
  215   3HZ   LYS  26          2HZ       LYS  26   3.626 -15.568  -0.239
  216    H    ARG  27           HN       ARG  27   3.487  -8.966   0.751
  217    HA   ARG  27           HA       ARG  27   3.207 -11.133   2.579
  218   1HB   ARG  27          2HB       ARG  27   5.364 -10.154   2.025
  219   2HB   ARG  27          3HB       ARG  27   4.898  -8.620   2.772
  220   1HG   ARG  27          2HG       ARG  27   4.631  -9.754   4.966
  221   2HG   ARG  27          3HG       ARG  27   5.082 -11.306   4.236
  222   1HD   ARG  27          2HD       ARG  27   6.824  -8.801   4.429
  223   2HD   ARG  27          3HD       ARG  27   6.891 -10.208   5.508
  224    HE   ARG  27           HE       ARG  27   7.259 -11.067   2.771
  225   1HH1  ARG  27          2HH2      ARG  27   8.946  -9.392   5.446
  226   2HH1  ARG  27          1HH2      ARG  27  10.518  -9.804   4.835
  227   1HH2  ARG  27          2HH1      ARG  27   9.261 -11.760   2.140
  228   2HH2  ARG  27          1HH1      ARG  27  10.718 -11.331   3.050
  229    H    LEU  28           HN       LEU  28   2.511  -7.603   2.922
  230    HA   LEU  28           HA       LEU  28   1.516  -7.917   5.590
  231   1HB   LEU  28          2HB       LEU  28   1.982  -5.728   3.794
  232   2HB   LEU  28          3HB       LEU  28   0.307  -5.618   4.326
  233    HG   LEU  28           HG       LEU  28   2.651  -6.081   6.241
  234   1HD1  LEU  28          2HD1      LEU  28   1.421  -3.467   5.322
  235   2HD1  LEU  28          3HD1      LEU  28   2.316  -3.648   6.848
  236   3HD1  LEU  28          1HD1      LEU  28   3.129  -3.993   5.330
  237   1HD2  LEU  28          2HD2      LEU  28   0.286  -6.632   6.992
  238   2HD2  LEU  28          3HD2      LEU  28   1.028  -5.313   7.924
  239   3HD2  LEU  28          1HD2      LEU  28  -0.165  -4.967   6.670
  240    H    ALA  29           HN       ALA  29   0.004  -8.112   2.424
  241    HA   ALA  29           HA       ALA  29  -2.651  -7.993   3.241
  242   1HB   ALA  29          3HB       ALA  29  -1.406  -9.484   0.876
  243   2HB   ALA  29          1HB       ALA  29  -3.134  -9.216   1.071
  244   3HB   ALA  29          2HB       ALA  29  -2.047  -7.826   0.877
  245    H    MET  30           HN       MET  30  -0.474 -10.864   2.874
  246    HA   MET  30           HA       MET  30  -2.451 -12.664   3.913
  247   1HB   MET  30          2HB       MET  30  -0.692 -14.283   4.195
  248   2HB   MET  30          3HB       MET  30  -0.665 -13.551   2.589
  249   1HG   MET  30          2HG       MET  30   1.222 -12.200   3.149
  250   2HG   MET  30          3HG       MET  30   1.201 -12.704   4.846
  251   1HE   MET  30          2HE       MET  30   2.069 -14.923   5.764
  252   2HE   MET  30          3HE       MET  30   0.890 -15.830   4.788
  253   3HE   MET  30          1HE       MET  30   2.607 -16.282   4.751
  254    H    LYS  31           HN       LYS  31   0.040 -10.633   5.453
  255    HA   LYS  31           HA       LYS  31   0.049 -11.800   8.011
  256   1HB   LYS  31          2HB       LYS  31   1.527  -9.914   7.015
  257   2HB   LYS  31          3HB       LYS  31   0.248  -8.816   7.528
  258   1HG   LYS  31          2HG       LYS  31   0.517  -9.865   9.868
  259   2HG   LYS  31          3HG       LYS  31   2.016 -10.571   9.267
  260   1HD   LYS  31          2HD       LYS  31   1.283  -7.609   9.385
  261   2HD   LYS  31          3HD       LYS  31   2.355  -8.436  10.492
  262   1HE   LYS  31          2HE       LYS  31   2.895  -8.057   7.493
  263   2HE   LYS  31          3HE       LYS  31   3.520  -7.031   8.781
  264   1HZ   LYS  31          2HZ       LYS  31   4.658  -9.029   9.666
  265   2HZ   LYS  31          3HZ       LYS  31   4.219  -9.835   8.272
  266   3HZ   LYS  31          1HZ       LYS  31   5.169  -8.486   8.222
  267    H    TYR  32           HN       TYR  32  -2.035  -9.272   6.639
  268    HA   TYR  32           HA       TYR  32  -3.929  -9.381   8.963
  269   1HB   TYR  32          2HB       TYR  32  -3.037  -7.170   7.083
  270   2HB   TYR  32          3HB       TYR  32  -4.619  -7.103   7.828
  271    HD1  TYR  32           HD2      TYR  32  -1.012  -7.299   8.736
  272    HD2  TYR  32           HD1      TYR  32  -5.015  -6.406  10.004
  273    HE1  TYR  32           HE2      TYR  32  -0.109  -5.943  10.607
  274    HE2  TYR  32           HE1      TYR  32  -4.137  -5.064  11.878
  275    HH   TYR  32           HH       TYR  32  -0.641  -4.364  12.177
  276    H    HIS  33           HN       HIS  33  -3.836 -11.372   6.935
  277    HA   HIS  33           HA       HIS  33  -5.584 -11.053   4.825
  278   1HB   HIS  33          2HB       HIS  33  -4.441 -13.162   5.290
  279   2HB   HIS  33          3HB       HIS  33  -5.517 -13.463   6.662
  280    HD1  HIS  33           HD1      HIS  33  -5.768 -12.946   2.819
  281    HD2  HIS  33           HD2      HIS  33  -7.892 -14.521   6.096
  282    HE1  HIS  33           HE1      HIS  33  -7.874 -14.020   1.871
  283    HA   PRO  34           HA       PRO  34  -9.167  -9.749   7.267
  284   1HB   PRO  34          2HB       PRO  34 -10.784  -8.866   5.241
  285   2HB   PRO  34          3HB       PRO  34  -9.400  -7.944   5.885
  286   1HG   PRO  34          2HG       PRO  34  -9.582  -9.551   3.374
  287   2HG   PRO  34          3HG       PRO  34  -8.711  -8.029   3.665
  288   1HD   PRO  34          2HD       PRO  34  -7.509 -10.558   3.655
  289   2HD   PRO  34          3HD       PRO  34  -6.867  -9.116   4.479
  290    H    ASP  35           HN       ASP  35 -10.225 -11.434   8.096
  291    HA   ASP  35           HA       ASP  35 -12.193 -12.855   6.457
  292   1HB   ASP  35          2HB       ASP  35 -11.688 -15.050   7.316
  293   2HB   ASP  35          3HB       ASP  35 -10.391 -14.401   6.311
  294    H    ARG  36           HN       ARG  36 -11.168 -13.444   9.834
  295    HA   ARG  36           HA       ARG  36 -13.969 -12.833  10.682
  296   1HB   ARG  36          2HB       ARG  36 -13.168 -13.674  12.916
  297   2HB   ARG  36          3HB       ARG  36 -13.267 -14.852  11.625
  298   1HG   ARG  36          2HG       ARG  36 -10.608 -13.508  12.066
  299   2HG   ARG  36          3HG       ARG  36 -11.132 -14.689  13.264
  300   1HD   ARG  36          2HD       ARG  36 -11.232 -15.369  10.325
  301   2HD   ARG  36          3HD       ARG  36  -9.714 -15.538  11.249
  302    HE   ARG  36           HE       ARG  36 -11.806 -16.845  12.640
  303   1HH1  ARG  36          2HH2      ARG  36 -10.257 -17.048   9.441
  304   2HH1  ARG  36          1HH2      ARG  36 -10.798 -18.670   9.126
  305   1HH2  ARG  36          2HH1      ARG  36 -11.885 -19.118  12.534
  306   2HH2  ARG  36          1HH1      ARG  36 -11.902 -19.917  10.991
  307    H    ASN  37           HN       ASN  37 -12.701 -10.599   9.712
  308    HA   ASN  37           HA       ASN  37 -11.186  -9.236  11.856
  309   1HB   ASN  37          2HB       ASN  37 -10.280  -9.032   9.641
  310   2HB   ASN  37          3HB       ASN  37 -11.871  -8.646   8.982
  311   1HD2  ASN  37          2HD2      ASN  37 -10.646  -5.317   8.971
  312   2HD2  ASN  37          1HD2      ASN  37 -11.258  -6.675   8.063
  313    H    GLN  38           HN       GLN  38 -13.400  -9.697  12.988
  314    HA   GLN  38           HA       GLN  38 -15.230  -7.349  12.721
  315   1HB   GLN  38          2HB       GLN  38 -16.791  -8.721  13.999
  316   2HB   GLN  38          3HB       GLN  38 -16.442  -9.421  12.421
  317   1HG   GLN  38          2HG       GLN  38 -15.561 -11.318  13.301
  318   2HG   GLN  38          3HG       GLN  38 -14.670 -10.480  14.568
  319   1HE2  GLN  38          2HE2      GLN  38 -18.093 -12.277  15.585
  320   2HE2  GLN  38          1HE2      GLN  38 -17.456 -12.388  13.957
  321    H    GLY  39           HN       GLY  39 -15.538  -6.082  14.561
  322   1HA   GLY  39          1HA       GLY  39 -15.402  -5.488  16.770
  323   2HA   GLY  39          2HA       GLY  39 -14.473  -6.938  17.190
  324    H    ASP  40           HN       ASP  40 -12.368  -6.771  15.422
  325    HA   ASP  40           HA       ASP  40 -10.516  -4.996  16.454
  326   1HB   ASP  40          2HB       ASP  40 -10.005  -6.983  15.080
  327   2HB   ASP  40          3HB       ASP  40 -10.664  -6.232  13.654
  328    H    LYS  41           HN       LYS  41 -11.451  -4.631  13.069
  329    HA   LYS  41           HA       LYS  41 -12.874  -3.239  12.031
  330   1HB   LYS  41          2HB       LYS  41 -13.802  -2.785  14.443
  331   2HB   LYS  41          3HB       LYS  41 -12.924  -1.247  14.303
  332   1HG   LYS  41          2HG       LYS  41 -14.305  -0.603  12.405
  333   2HG   LYS  41          3HG       LYS  41 -14.931  -2.253  12.235
  334   1HD   LYS  41          2HD       LYS  41 -16.620  -0.900  13.283
  335   2HD   LYS  41          3HD       LYS  41 -16.044  -2.118  14.427
  336   1HE   LYS  41          2HE       LYS  41 -14.600  -0.383  15.544
  337   2HE   LYS  41          3HE       LYS  41 -15.138   0.799  14.341
  338   1HZ   LYS  41          3HZ       LYS  41 -17.393   0.502  15.216
  339   2HZ   LYS  41          1HZ       LYS  41 -16.831  -0.512  16.384
  340   3HZ   LYS  41          2HZ       LYS  41 -16.365   1.050  16.361
  341    H    GLU  42           HN       GLU  42 -10.078  -2.088  13.812
  342    HA   GLU  42           HA       GLU  42  -9.624   0.143  12.042
  343   1HB   GLU  42          2HB       GLU  42  -7.551   0.508  13.079
  344   2HB   GLU  42          3HB       GLU  42  -8.753   0.247  14.344
  345   1HG   GLU  42          2HG       GLU  42  -7.903  -1.987  14.765
  346   2HG   GLU  42          3HG       GLU  42  -6.829  -1.903  13.349
  347    H    ALA  43           HN       ALA  43  -8.557  -3.252  12.297
  348    HA   ALA  43           HA       ALA  43  -6.465  -3.281  10.623
  349   1HB   ALA  43          1HB       ALA  43  -8.626  -5.336  11.022
  350   2HB   ALA  43          2HB       ALA  43  -7.155  -5.679  10.105
  351   3HB   ALA  43          3HB       ALA  43  -7.048  -5.247  11.826
  352    H    GLU  44           HN       GLU  44  -9.893  -3.313   9.650
  353    HA   GLU  44           HA       GLU  44  -9.485  -3.756   6.866
  354   1HB   GLU  44          2HB       GLU  44 -11.729  -3.717   8.251
  355   2HB   GLU  44          3HB       GLU  44 -11.660  -1.969   8.028
  356   1HG   GLU  44          2HG       GLU  44 -12.990  -2.623   6.264
  357   2HG   GLU  44          3HG       GLU  44 -11.411  -2.607   5.465
  358    H    ALA  45           HN       ALA  45  -9.647  -0.723   8.806
  359    HA   ALA  45           HA       ALA  45  -9.300   1.017   6.662
  360   1HB   ALA  45          1HB       ALA  45 -10.202   1.681   8.853
  361   2HB   ALA  45          2HB       ALA  45  -8.581   1.502   9.566
  362   3HB   ALA  45          3HB       ALA  45  -8.873   2.725   8.316
  363    H    LYS  46           HN       LYS  46  -7.016  -0.482   8.864
  364    HA   LYS  46           HA       LYS  46  -4.608   0.677   7.973
  365   1HB   LYS  46          2HB       LYS  46  -5.271  -0.984   9.899
  366   2HB   LYS  46          3HB       LYS  46  -4.834  -2.260   8.765
  367   1HG   LYS  46          2HG       LYS  46  -2.558  -1.493   8.642
  368   2HG   LYS  46          3HG       LYS  46  -2.952   0.036   9.434
  369   1HD   LYS  46          2HD       LYS  46  -3.109  -2.709  10.763
  370   2HD   LYS  46          3HD       LYS  46  -1.820  -1.517  10.976
  371   1HE   LYS  46          2HE       LYS  46  -3.859   0.100  11.639
  372   2HE   LYS  46          3HE       LYS  46  -4.699  -1.425  11.967
  373   1HZ   LYS  46          3HZ       LYS  46  -2.181  -0.543  13.214
  374   2HZ   LYS  46          1HZ       LYS  46  -3.692  -0.527  13.880
  375   3HZ   LYS  46          2HZ       LYS  46  -3.005  -1.952  13.556
  376    H    PHE  47           HN       PHE  47  -6.389  -2.215   6.845
  377    HA   PHE  47           HA       PHE  47  -4.684  -2.913   4.720
  378   1HB   PHE  47          2HB       PHE  47  -6.839  -4.078   5.792
  379   2HB   PHE  47          3HB       PHE  47  -7.633  -3.326   4.423
  380    HD1  PHE  47          1HD       PHE  47  -6.123  -3.649   2.103
  381    HD2  PHE  47          2HD       PHE  47  -6.033  -6.242   5.546
  382    HE1  PHE  47          1HE       PHE  47  -4.952  -5.381   0.787
  383    HE2  PHE  47          2HE       PHE  47  -4.950  -7.995   4.183
  384    HZ   PHE  47           HZ       PHE  47  -4.586  -7.628   1.734
  385    H    LYS  48           HN       LYS  48  -7.305  -0.461   4.886
  386    HA   LYS  48           HA       LYS  48  -7.446  -0.027   2.089
  387   1HB   LYS  48          2HB       LYS  48  -7.850   2.048   4.244
  388   2HB   LYS  48          3HB       LYS  48  -8.304   2.207   2.549
  389   1HG   LYS  48          2HG       LYS  48 -10.022   0.620   2.653
  390   2HG   LYS  48          3HG       LYS  48  -9.364  -0.115   4.099
  391   1HD   LYS  48          2HD       LYS  48 -10.946   1.139   5.227
  392   2HD   LYS  48          3HD       LYS  48  -9.802   2.469   5.027
  393   1HE   LYS  48          2HE       LYS  48 -11.725   3.429   4.254
  394   2HE   LYS  48          3HE       LYS  48 -11.005   2.876   2.739
  395   1HZ   LYS  48          2HZ       LYS  48 -13.019   1.384   4.328
  396   2HZ   LYS  48          3HZ       LYS  48 -13.392   2.262   2.986
  397   3HZ   LYS  48          1HZ       LYS  48 -12.451   0.961   2.828
  398    H    GLU  49           HN       GLU  49  -5.366   1.504   4.648
  399    HA   GLU  49           HA       GLU  49  -4.026   3.285   2.890
  400   1HB   GLU  49          2HB       GLU  49  -3.055   1.969   5.470
  401   2HB   GLU  49          3HB       GLU  49  -2.243   3.249   4.578
  402   1HG   GLU  49          2HG       GLU  49  -4.337   4.666   4.806
  403   2HG   GLU  49          3HG       GLU  49  -4.954   3.444   5.935
  404    H    ILE  50           HN       ILE  50  -3.151  -0.066   3.885
  405    HA   ILE  50           HA       ILE  50  -0.738  -0.195   2.385
  406    HB   ILE  50           HB       ILE  50  -2.624  -2.472   3.053
  407   1HG1  ILE  50          2HG1      ILE  50  -0.259  -1.538   4.754
  408   2HG1  ILE  50          3HG1      ILE  50  -1.881  -1.001   5.088
  409   1HG2  ILE  50          1HG2      ILE  50  -0.468  -2.844   1.508
  410   2HG2  ILE  50          2HG2      ILE  50   0.394  -2.745   3.041
  411   3HG2  ILE  50          3HG2      ILE  50  -0.836  -3.980   2.805
  412   1HD1  ILE  50          2HD1      ILE  50  -1.073  -3.921   5.002
  413   2HD1  ILE  50          3HD1      ILE  50  -1.307  -2.941   6.465
  414   3HD1  ILE  50          1HD1      ILE  50  -2.671  -3.309   5.401
  415    H    LYS  51           HN       LYS  51  -4.138  -0.852   1.446
  416    HA   LYS  51           HA       LYS  51  -3.446  -1.814  -1.188
  417   1HB   LYS  51          2HB       LYS  51  -5.441  -2.464   0.130
  418   2HB   LYS  51          3HB       LYS  51  -6.114  -0.850  -0.103
  419   1HG   LYS  51          2HG       LYS  51  -6.204  -1.159  -2.516
  420   2HG   LYS  51          3HG       LYS  51  -5.366  -2.715  -2.426
  421   1HD   LYS  51          2HD       LYS  51  -7.998  -2.127  -1.019
  422   2HD   LYS  51          3HD       LYS  51  -7.930  -2.757  -2.670
  423   1HE   LYS  51          2HE       LYS  51  -7.258  -4.870  -2.051
  424   2HE   LYS  51          3HE       LYS  51  -6.316  -4.307  -0.678
  425   1HZ   LYS  51          3HZ       LYS  51  -9.256  -4.428  -0.682
  426   2HZ   LYS  51          1HZ       LYS  51  -8.248  -5.502   0.101
  427   3HZ   LYS  51          2HZ       LYS  51  -8.323  -3.974   0.572
  428    H    GLU  52           HN       GLU  52  -4.266   1.333   0.189
  429    HA   GLU  52           HA       GLU  52  -4.811   2.698  -2.288
  430   1HB   GLU  52          2HB       GLU  52  -5.366   3.500   0.156
  431   2HB   GLU  52          3HB       GLU  52  -3.664   3.918   0.269
  432   1HG   GLU  52          2HG       GLU  52  -4.827   5.891  -0.326
  433   2HG   GLU  52          3HG       GLU  52  -3.969   5.373  -1.775
  434    H    ALA  53           HN       ALA  53  -1.978   2.348  -0.128
  435    HA   ALA  53           HA       ALA  53  -0.022   3.551  -1.709
  436   1HB   ALA  53          2HB       ALA  53   0.177   2.463   0.662
  437   2HB   ALA  53          3HB       ALA  53   0.470   0.957  -0.217
  438   3HB   ALA  53          1HB       ALA  53   1.519   2.353  -0.493
  439    H    TYR  54           HN       TYR  54  -1.142   0.115  -1.784
  440    HA   TYR  54           HA       TYR  54   0.498  -0.647  -3.947
  441   1HB   TYR  54          2HB       TYR  54  -0.597  -2.258  -2.525
  442   2HB   TYR  54          3HB       TYR  54  -2.190  -1.717  -3.050
  443    HD1  TYR  54           HD2      TYR  54   0.626  -2.300  -5.458
  444    HD2  TYR  54           HD1      TYR  54  -3.022  -3.853  -3.737
  445    HE1  TYR  54           HE2      TYR  54   0.374  -3.819  -7.330
  446    HE2  TYR  54           HE1      TYR  54  -3.099  -5.572  -5.515
  447    HH   TYR  54           HH       TYR  54  -2.014  -5.518  -8.114
  448    H    GLU  55           HN       GLU  55  -2.517   1.355  -4.101
  449    HA   GLU  55           HA       GLU  55  -2.872   0.859  -6.934
  450   1HB   GLU  55          2HB       GLU  55  -4.810   1.214  -5.850
  451   2HB   GLU  55          3HB       GLU  55  -4.169   2.366  -4.711
  452   1HG   GLU  55          2HG       GLU  55  -4.217   4.109  -6.089
  453   2HG   GLU  55          3HG       GLU  55  -4.136   3.105  -7.566
  454    H    VAL  56           HN       VAL  56  -2.001   3.601  -4.814
  455    HA   VAL  56           HA       VAL  56  -1.310   5.266  -6.943
  456    HB   VAL  56           HB       VAL  56  -0.672   5.414  -3.958
  457   1HG1  VAL  56          3HG1      VAL  56  -0.387   7.508  -6.129
  458   2HG1  VAL  56          1HG1      VAL  56  -0.416   7.886  -4.399
  459   3HG1  VAL  56          2HG1      VAL  56   0.883   6.895  -5.060
  460   1HG2  VAL  56          1HG2      VAL  56  -2.970   6.307  -5.737
  461   2HG2  VAL  56          2HG2      VAL  56  -3.024   5.430  -4.206
  462   3HG2  VAL  56          3HG2      VAL  56  -2.614   7.147  -4.232
  463    H    LEU  57           HN       LEU  57   0.864   3.458  -4.718
  464    HA   LEU  57           HA       LEU  57   3.211   4.500  -6.106
  465   1HB   LEU  57          2HB       LEU  57   2.988   2.117  -4.232
  466   2HB   LEU  57          3HB       LEU  57   4.467   2.755  -4.936
  467    HG   LEU  57           HG       LEU  57   2.702   4.084  -2.861
  468   1HD1  LEU  57          3HD1      LEU  57   5.638   3.253  -3.110
  469   2HD1  LEU  57          1HD1      LEU  57   4.985   4.186  -1.764
  470   3HD1  LEU  57          2HD1      LEU  57   4.386   2.541  -2.065
  471   1HD2  LEU  57          1HD2      LEU  57   4.913   5.385  -4.505
  472   2HD2  LEU  57          2HD2      LEU  57   3.217   5.928  -4.382
  473   3HD2  LEU  57          3HD2      LEU  57   4.278   6.040  -2.981
  474    H    THR  58           HN       THR  58   0.906   2.224  -7.204
  475    HA   THR  58           HA       THR  58   2.954   1.468  -9.210
  476    HB   THR  58           HB       THR  58   2.088  -0.585  -9.638
  477    HG1  THR  58          1HG       THR  58   0.024  -0.025  -7.776
  478   1HG2  THR  58          3HG2      THR  58   3.572  -0.378  -7.612
  479   2HG2  THR  58          1HG2      THR  58   2.118  -0.421  -6.595
  480   3HG2  THR  58          2HG2      THR  58   2.532  -1.817  -7.608
  481    H    ASP  59           HN       ASP  59   1.230   3.890  -8.944
  482    HA   ASP  59           HA       ASP  59   0.041   3.686 -11.667
  483   1HB   ASP  59          2HB       ASP  59  -1.910   3.365 -10.205
  484   2HB   ASP  59          3HB       ASP  59  -1.384   4.701  -9.177
  485    H    SER  60           HN       SER  60   1.697   4.991 -12.488
  486    HA   SER  60           HA       SER  60   2.794   7.307 -11.655
  487   1HB   SER  60          2HB       SER  60   1.711   6.649 -14.406
  488   2HB   SER  60          3HB       SER  60   2.689   8.082 -14.072
  489    HG   SER  60           HG       SER  60   3.468   5.432 -13.390
  490    H    GLN  61           HN       GLN  61  -0.723   7.073 -12.351
  491    HA   GLN  61           HA       GLN  61  -0.995   9.904 -12.917
  492   1HB   GLN  61          2HB       GLN  61  -2.572   8.689 -13.979
  493   2HB   GLN  61          3HB       GLN  61  -2.809   7.519 -12.687
  494   1HG   GLN  61          2HG       GLN  61  -4.083   8.998 -11.356
  495   2HG   GLN  61          3HG       GLN  61  -3.669  10.383 -12.373
  496   1HE2  GLN  61          2HE2      GLN  61  -7.103   9.300 -13.301
  497   2HE2  GLN  61          1HE2      GLN  61  -6.317   9.693 -11.781
  498    H    LYS  62           HN       LYS  62  -2.089   7.825 -10.172
  499    HA   LYS  62           HA       LYS  62  -2.487  10.198  -8.491
  500   1HB   LYS  62          2HB       LYS  62  -2.331   7.239  -7.813
  501   2HB   LYS  62          3HB       LYS  62  -2.380   8.520  -6.593
  502   1HG   LYS  62          2HG       LYS  62  -4.549   8.115  -6.595
  503   2HG   LYS  62          3HG       LYS  62  -4.537   9.338  -7.869
  504   1HD   LYS  62          2HD       LYS  62  -4.529   7.550  -9.576
  505   2HD   LYS  62          3HD       LYS  62  -4.468   6.301  -8.339
  506   1HE   LYS  62          2HE       LYS  62  -6.731   8.330  -8.758
  507   2HE   LYS  62          3HE       LYS  62  -6.738   6.643  -9.288
  508   1HZ   LYS  62          2HZ       LYS  62  -6.680   5.964  -6.953
  509   2HZ   LYS  62          3HZ       LYS  62  -6.768   7.536  -6.451
  510   3HZ   LYS  62          1HZ       LYS  62  -7.965   6.903  -7.316
  511    H    ARG  63           HN       ARG  63   0.150   7.897  -9.006
  512    HA   ARG  63           HA       ARG  63   1.787   8.488  -6.804
  513   1HB   ARG  63          2HB       ARG  63   2.142   6.728  -8.608
  514   2HB   ARG  63          3HB       ARG  63   2.915   7.972  -9.574
  515   1HG   ARG  63          2HG       ARG  63   3.730   7.058  -6.774
  516   2HG   ARG  63          3HG       ARG  63   4.358   6.422  -8.297
  517   1HD   ARG  63          2HD       ARG  63   4.918   8.998  -8.778
  518   2HD   ARG  63          3HD       ARG  63   4.945   9.111  -7.021
  519    HE   ARG  63           HE       ARG  63   6.828   7.889  -8.848
  520   1HH1  ARG  63          2HH2      ARG  63   5.726   7.782  -5.541
  521   2HH1  ARG  63          1HH2      ARG  63   6.852   6.590  -4.974
  522   1HH2  ARG  63          2HH1      ARG  63   8.201   6.125  -8.288
  523   2HH2  ARG  63          1HH1      ARG  63   8.345   5.593  -6.645
  524    H    ALA  64           HN       ALA  64   1.750  10.104 -10.058
  525    HA   ALA  64           HA       ALA  64   3.864  11.893  -9.384
  526   1HB   ALA  64          2HB       ALA  64   3.207  11.434 -11.723
  527   2HB   ALA  64          3HB       ALA  64   1.627  12.209 -11.452
  528   3HB   ALA  64          1HB       ALA  64   3.119  13.171 -11.383
  529    H    ALA  65           HN       ALA  65   0.291  12.437  -9.387
  530    HA   ALA  65           HA       ALA  65   0.362  15.051  -8.465
  531   1HB   ALA  65          1HB       ALA  65  -1.673  13.933  -9.267
  532   2HB   ALA  65          2HB       ALA  65  -1.694  12.894  -7.825
  533   3HB   ALA  65          3HB       ALA  65  -1.940  14.646  -7.667
  534    H    TYR  66           HN       TYR  66   0.402  12.005  -6.623
  535    HA   TYR  66           HA       TYR  66   0.354  13.276  -4.067
  536   1HB   TYR  66          2HB       TYR  66  -0.299  10.838  -4.743
  537   2HB   TYR  66          3HB       TYR  66   1.402  10.477  -4.461
  538    HD1  TYR  66           HD2      TYR  66   2.354  10.906  -2.110
  539    HD2  TYR  66           HD1      TYR  66  -1.845  11.311  -3.004
  540    HE1  TYR  66           HE2      TYR  66   1.851  11.034   0.301
  541    HE2  TYR  66           HE1      TYR  66  -2.346  11.455  -0.585
  542    HH   TYR  66           HH       TYR  66   0.157  10.848   1.814
  543    H    ASP  67           HN       ASP  67   3.059  12.208  -6.226
  544    HA   ASP  67           HA       ASP  67   5.132  12.642  -4.265
  545   1HB   ASP  67          2HB       ASP  67   5.599  11.466  -6.351
  546   2HB   ASP  67          3HB       ASP  67   5.106  12.869  -7.306
  547    H    GLN  68           HN       GLN  68   3.504  14.697  -6.714
  548    HA   GLN  68           HA       GLN  68   5.129  16.903  -6.545
  549   1HB   GLN  68          2HB       GLN  68   2.528  16.082  -7.746
  550   2HB   GLN  68          3HB       GLN  68   2.472  17.684  -7.143
  551   1HG   GLN  68          2HG       GLN  68   4.866  17.830  -8.451
  552   2HG   GLN  68          3HG       GLN  68   4.072  16.561  -9.400
  553   1HE2  GLN  68          2HE2      GLN  68   1.386  19.035 -10.246
  554   2HE2  GLN  68          1HE2      GLN  68   1.463  17.349  -9.766
  555    H    TYR  69           HN       TYR  69   2.129  16.159  -4.814
  556    HA   TYR  69           HA       TYR  69   2.627  18.505  -2.997
  557   1HB   TYR  69          2HB       TYR  69   0.420  17.921  -4.865
  558   2HB   TYR  69          3HB       TYR  69  -0.159  18.302  -3.254
  559    HD1  TYR  69           HD2      TYR  69   0.626  20.367  -2.068
  560    HD2  TYR  69           HD1      TYR  69   1.428  19.692  -6.252
  561    HE1  TYR  69           HE2      TYR  69   1.382  22.702  -2.298
  562    HE2  TYR  69           HE1      TYR  69   2.141  22.038  -6.495
  563    HH   TYR  69           HH       TYR  69   2.237  24.269  -3.694
  564    H    GLY  70           HN       GLY  70   2.569  15.259  -2.827
  565   1HA   GLY  70          1HA       GLY  70   2.180  13.768  -1.078
  566   2HA   GLY  70          2HA       GLY  70   2.277  15.219  -0.094
  567    H    HIS  71           HN       HIS  71  -0.106  14.860  -2.482
  568    HA   HIS  71           HA       HIS  71  -2.246  13.970  -0.789
  569   1HB   HIS  71          2HB       HIS  71  -1.863  16.313   0.149
  570   2HB   HIS  71          3HB       HIS  71  -2.432  16.965  -1.373
  571    HD1  HIS  71           HD1      HIS  71  -5.020  17.509  -1.158
  572    HD2  HIS  71           HD2      HIS  71  -3.624  14.460   1.380
  573    HE1  HIS  71           HE1      HIS  71  -6.993  16.763   0.221
  574    H    ALA  72           HN       ALA  72  -2.282  16.519  -3.324
  575    HA   ALA  72           HA       ALA  72  -3.365  14.675  -5.357
  576   1HB   ALA  72          3HB       ALA  72  -5.270  14.969  -3.723
  577   2HB   ALA  72          1HB       ALA  72  -5.137  16.728  -3.944
  578   3HB   ALA  72          2HB       ALA  72  -5.617  15.687  -5.302
  579    H    ALA  73           HN       ALA  73  -1.623  17.392  -4.778
  580    HA   ALA  73           HA       ALA  73  -1.035  19.220  -6.077
  581   1HB   ALA  73          3HB       ALA  73  -0.045  17.323  -7.351
  582   2HB   ALA  73          1HB       ALA  73  -1.536  17.206  -8.310
  583   3HB   ALA  73          2HB       ALA  73  -0.527  18.663  -8.407
  584    H    PHE  74           HN       PHE  74  -3.542  19.368  -5.186
  585    HA   PHE  74           HA       PHE  74  -5.727  19.721  -5.538
  586   1HB   PHE  74          2HB       PHE  74  -4.739  22.180  -6.957
  587   2HB   PHE  74          3HB       PHE  74  -5.986  21.942  -5.727
  588    HD1  PHE  74          2HD       PHE  74  -5.224  21.081  -3.378
  589    HD2  PHE  74          1HD       PHE  74  -2.537  22.791  -6.266
  590    HE1  PHE  74          2HE       PHE  74  -3.496  21.366  -1.607
  591    HE2  PHE  74          1HE       PHE  74  -0.859  23.173  -4.497
  592    HZ   PHE  74           HZ       PHE  74  -1.322  22.417  -2.155
  593    H    GLU  75           HN       GLU  75  -5.453  17.832  -7.200
  594    HA   GLU  75           HA       GLU  75  -6.004  18.280  -9.914
  595   1HB   GLU  75          2HB       GLU  75  -4.875  16.385  -8.816
  596   2HB   GLU  75          3HB       GLU  75  -6.437  15.728  -8.311
  597   1HG   GLU  75          2HG       GLU  75  -5.711  16.292 -11.218
  598   2HG   GLU  75          3HG       GLU  75  -4.985  14.934 -10.360
  599    H    GLN  76           HN       GLN  76  -7.978  19.681  -8.187
  600    HA   GLN  76           HA       GLN  76 -10.184  19.040  -7.170
  601   1HB   GLN  76          2HB       GLN  76 -10.272  20.815  -9.615
  602   2HB   GLN  76          3HB       GLN  76 -11.135  20.917  -8.068
  603   1HG   GLN  76          2HG       GLN  76  -8.238  21.616  -8.570
  604   2HG   GLN  76          3HG       GLN  76  -9.572  22.698  -8.359
  605   1HE2  GLN  76          2HE2      GLN  76  -8.539  20.679  -4.890
  606   2HE2  GLN  76          1HE2      GLN  76  -8.425  19.833  -6.409
   
  No H/Q in entry =         606
  Start of MODEL   10
    1   1H    ALA   2          3HN       ALA   2  10.664   7.570  -2.148
    2   2H    ALA   2          1HN       ALA   2   9.895   8.805  -2.870
    3   3H    ALA   2          2HN       ALA   2  11.134   8.073  -3.613
    4    HA   ALA   2           HA       ALA   2  12.695   8.830  -1.996
    5   1HB   ALA   2          3HB       ALA   2  12.307  10.309  -3.912
    6   2HB   ALA   2          1HB       ALA   2  11.010  11.141  -3.064
    7   3HB   ALA   2          2HB       ALA   2  12.673  11.262  -2.457
    8    H    LYS   3           HN       LYS   3  10.244  11.318  -1.200
    9    HA   LYS   3           HA       LYS   3  10.664  10.922   1.649
   10   1HB   LYS   3          2HB       LYS   3   8.926  12.614   1.915
   11   2HB   LYS   3          3HB       LYS   3  10.231  13.166   0.876
   12   1HG   LYS   3          2HG       LYS   3   7.609  12.080  -0.262
   13   2HG   LYS   3          3HG       LYS   3   7.797  13.735   0.270
   14   1HD   LYS   3          2HD       LYS   3   8.661  14.356  -1.636
   15   2HD   LYS   3          3HD       LYS   3  10.048  13.315  -1.417
   16   1HE   LYS   3          2HE       LYS   3   8.726  11.418  -2.425
   17   2HE   LYS   3          3HE       LYS   3   7.364  12.489  -2.668
   18   1HZ   LYS   3          2HZ       LYS   3   9.943  13.207  -3.864
   19   2HZ   LYS   3          3HZ       LYS   3   8.968  12.149  -4.646
   20   3HZ   LYS   3          1HZ       LYS   3   8.454  13.678  -4.267
   21    H    GLN   4           HN       GLN   4   8.835  10.354   3.151
   22    HA   GLN   4           HA       GLN   4   7.569   7.926   2.355
   23   1HB   GLN   4          2HB       GLN   4   8.072   8.866   4.735
   24   2HB   GLN   4          3HB       GLN   4   6.537   9.698   4.619
   25   1HG   GLN   4          2HG       GLN   4   7.113   6.741   4.313
   26   2HG   GLN   4          3HG       GLN   4   6.413   7.469   5.761
   27   1HE2  GLN   4          2HE2      GLN   4   3.182   8.123   3.963
   28   2HE2  GLN   4          1HE2      GLN   4   4.357   9.110   4.770
   29    H    ASP   5           HN       ASP   5   5.776   7.660   1.104
   30    HA   ASP   5           HA       ASP   5   3.498   9.398   1.427
   31   1HB   ASP   5          2HB       ASP   5   5.081  10.524  -0.294
   32   2HB   ASP   5          3HB       ASP   5   4.679   9.162  -1.359
   33    H    TYR   6           HN       TYR   6   2.463   7.507   2.093
   34    HA   TYR   6           HA       TYR   6   1.518   5.436   2.087
   35   1HB   TYR   6          2HB       TYR   6   1.214   5.885  -0.900
   36   2HB   TYR   6          3HB       TYR   6   0.284   4.815   0.119
   37    HD1  TYR   6           HD1      TYR   6   1.110   8.499   0.055
   38    HD2  TYR   6           HD2      TYR   6  -1.954   5.491   0.373
   39    HE1  TYR   6           HE1      TYR   6  -0.545  10.235   0.079
   40    HE2  TYR   6           HE2      TYR   6  -3.665   7.277   0.305
   41    HH   TYR   6           HH       TYR   6  -2.734  10.745   0.234
   42    H    TYR   7           HN       TYR   7   4.375   5.431   1.856
   43    HA   TYR   7           HA       TYR   7   4.854   2.879   0.328
   44   1HB   TYR   7          2HB       TYR   7   6.617   5.224   1.011
   45   2HB   TYR   7          3HB       TYR   7   7.300   3.610   0.901
   46    HD1  TYR   7           HD2      TYR   7   4.526   4.762  -1.384
   47    HD2  TYR   7           HD1      TYR   7   8.709   3.892  -0.934
   48    HE1  TYR   7           HE2      TYR   7   4.884   5.233  -3.772
   49    HE2  TYR   7           HE1      TYR   7   9.073   4.385  -3.334
   50    HH   TYR   7           HH       TYR   7   8.119   5.175  -5.290
   51    H    GLU   8           HN       GLU   8   5.739   4.545   3.497
   52    HA   GLU   8           HA       GLU   8   6.761   2.172   4.620
   53   1HB   GLU   8          2HB       GLU   8   6.487   4.966   5.220
   54   2HB   GLU   8          3HB       GLU   8   5.650   4.129   6.509
   55   1HG   GLU   8          2HG       GLU   8   8.038   4.559   6.943
   56   2HG   GLU   8          3HG       GLU   8   7.651   2.789   6.878
   57    H    ILE   9           HN       ILE   9   3.573   3.497   4.296
   58    HA   ILE   9           HA       ILE   9   2.061   2.044   6.108
   59    HB   ILE   9           HB       ILE   9   1.473   2.928   3.245
   60   1HG1  ILE   9          2HG1      ILE   9   1.253   4.226   5.995
   61   2HG1  ILE   9          3HG1      ILE   9   2.152   4.798   4.582
   62   1HG2  ILE   9          2HG2      ILE   9  -0.172   1.212   4.067
   63   2HG2  ILE   9          3HG2      ILE   9  -0.512   2.264   5.459
   64   3HG2  ILE   9          1HG2      ILE   9  -0.876   2.799   3.801
   65   1HD1  ILE   9          1HD1      ILE   9  -0.122   5.078   3.428
   66   2HD1  ILE   9          2HD1      ILE   9  -0.816   4.837   5.040
   67   3HD1  ILE   9          3HD1      ILE   9   0.300   6.185   4.750
   68    H    LEU  10           HN       LEU  10   3.488   1.034   2.963
   69    HA   LEU  10           HA       LEU  10   2.673  -1.725   3.387
   70   1HB   LEU  10          2HB       LEU  10   4.152  -1.083   1.002
   71   2HB   LEU  10          3HB       LEU  10   2.615  -1.957   1.198
   72    HG   LEU  10           HG       LEU  10   3.049   1.085   1.094
   73   1HD1  LEU  10          3HD1      LEU  10   3.585  -0.043  -1.004
   74   2HD1  LEU  10          1HD1      LEU  10   1.995  -0.831  -1.012
   75   3HD1  LEU  10          2HD1      LEU  10   2.116   0.940  -1.144
   76   1HD2  LEU  10          2HD2      LEU  10   0.910  -0.075   2.307
   77   2HD2  LEU  10          3HD2      LEU  10   0.745   1.323   1.251
   78   3HD2  LEU  10          1HD2      LEU  10   0.410  -0.327   0.642
   79    H    GLY  11           HN       GLY  11   5.459   0.313   3.726
   80   1HA   GLY  11          1HA       GLY  11   7.280  -0.168   5.106
   81   2HA   GLY  11          2HA       GLY  11   6.674  -1.824   5.321
   82    H    VAL  12           HN       VAL  12   8.174   0.392   2.953
   83    HA   VAL  12           HA       VAL  12   9.395  -1.843   1.489
   84    HB   VAL  12           HB       VAL  12   7.070  -1.507   0.791
   85   1HG1  VAL  12          3HG1      VAL  12   7.142   1.112   0.887
   86   2HG1  VAL  12          1HG1      VAL  12   7.689   0.962  -0.793
   87   3HG1  VAL  12          2HG1      VAL  12   6.136   0.275  -0.291
   88   1HG2  VAL  12          3HG2      VAL  12   8.547  -2.608  -0.608
   89   2HG2  VAL  12          1HG2      VAL  12   7.434  -1.633  -1.604
   90   3HG2  VAL  12          2HG2      VAL  12   9.091  -1.084  -1.359
   91    H    SER  13           HN       SER  13  10.763  -0.948  -0.285
   92    HA   SER  13           HA       SER  13  12.632   0.859   0.924
   93   1HB   SER  13          2HB       SER  13  13.281  -0.765  -0.818
   94   2HB   SER  13          3HB       SER  13  12.317   0.114  -2.018
   95    HG   SER  13           HG       SER  13  14.687   0.646  -1.836
   96    H    LYS  14           HN       LYS  14  12.861   3.117   0.748
   97    HA   LYS  14           HA       LYS  14  10.545   4.591  -0.046
   98   1HB   LYS  14          2HB       LYS  14  13.311   5.563   0.710
   99   2HB   LYS  14          3HB       LYS  14  11.950   6.574   0.273
  100   1HG   LYS  14          2HG       LYS  14  11.748   6.572   2.579
  101   2HG   LYS  14          3HG       LYS  14  10.547   5.413   2.061
  102   1HD   LYS  14          2HD       LYS  14  11.765   4.667   4.044
  103   2HD   LYS  14          3HD       LYS  14  11.918   3.539   2.718
  104   1HE   LYS  14          2HE       LYS  14  14.039   3.926   3.998
  105   2HE   LYS  14          3HE       LYS  14  14.232   4.261   2.277
  106   1HZ   LYS  14          3HZ       LYS  14  13.797   6.286   4.380
  107   2HZ   LYS  14          1HZ       LYS  14  15.237   5.951   3.664
  108   3HZ   LYS  14          2HZ       LYS  14  14.031   6.638   2.786
  109    H    THR  15           HN       THR  15  12.982   3.223  -1.993
  110    HA   THR  15           HA       THR  15  11.962   4.841  -4.295
  111    HB   THR  15           HB       THR  15  14.210   4.108  -5.355
  112    HG1  THR  15          1HG       THR  15  14.819   3.962  -2.574
  113   1HG2  THR  15          1HG2      THR  15  14.155   6.230  -3.163
  114   2HG2  THR  15          2HG2      THR  15  15.394   6.077  -4.425
  115   3HG2  THR  15          3HG2      THR  15  13.725   6.446  -4.863
  116    H    ALA  16           HN       ALA  16  10.600   2.680  -3.080
  117    HA   ALA  16           HA       ALA  16  11.046   0.170  -4.207
  118   1HB   ALA  16          2HB       ALA  16   9.309   0.690  -2.523
  119   2HB   ALA  16          3HB       ALA  16   8.381   1.583  -3.739
  120   3HB   ALA  16          1HB       ALA  16   8.624  -0.169  -3.908
  121    H    GLU  17           HN       GLU  17  10.982  -0.602  -6.307
  122    HA   GLU  17           HA       GLU  17   9.723   0.864  -8.485
  123   1HB   GLU  17          2HB       GLU  17  11.583  -1.221  -8.339
  124   2HB   GLU  17          3HB       GLU  17  10.090  -2.129  -8.524
  125   1HG   GLU  17          2HG       GLU  17  11.010   0.152 -10.317
  126   2HG   GLU  17          3HG       GLU  17  11.231  -1.579 -10.647
  127    H    GLU  18           HN       GLU  18   7.569   0.135  -9.327
  128    HA   GLU  18           HA       GLU  18   5.676  -0.435  -7.324
  129   1HB   GLU  18          2HB       GLU  18   5.465  -0.876 -10.322
  130   2HB   GLU  18          3HB       GLU  18   4.148  -0.853  -9.142
  131   1HG   GLU  18          2HG       GLU  18   5.018   1.510  -8.441
  132   2HG   GLU  18          3HG       GLU  18   5.949   1.467  -9.951
  133    H    ARG  19           HN       ARG  19   7.640  -2.554  -9.383
  134    HA   ARG  19           HA       ARG  19   6.359  -4.991  -8.934
  135   1HB   ARG  19          2HB       ARG  19   8.447  -4.517 -10.328
  136   2HB   ARG  19          3HB       ARG  19   9.367  -4.494  -8.828
  137   1HG   ARG  19          2HG       ARG  19   9.721  -6.626  -9.644
  138   2HG   ARG  19          3HG       ARG  19   8.509  -6.871  -8.394
  139   1HD   ARG  19          2HD       ARG  19   7.784  -8.116 -10.328
  140   2HD   ARG  19          3HD       ARG  19   6.715  -6.728 -10.154
  141    HE   ARG  19           HE       ARG  19   7.383  -5.896 -12.177
  142   1HH1  ARG  19          2HH2      ARG  19   9.820  -8.241 -11.092
  143   2HH1  ARG  19          1HH2      ARG  19  10.872  -7.983 -12.455
  144   1HH2  ARG  19          2HH1      ARG  19   8.610  -5.654 -14.000
  145   2HH2  ARG  19          1HH1      ARG  19  10.167  -6.439 -14.178
  146    H    GLU  20           HN       GLU  20   8.444  -3.089  -6.783
  147    HA   GLU  20           HA       GLU  20   8.577  -5.170  -4.762
  148   1HB   GLU  20          2HB       GLU  20  10.498  -3.677  -5.193
  149   2HB   GLU  20          3HB       GLU  20   9.536  -2.298  -4.640
  150   1HG   GLU  20          2HG       GLU  20   9.223  -3.475  -2.438
  151   2HG   GLU  20          3HG       GLU  20  10.367  -4.696  -2.944
  152    H    ILE  21           HN       ILE  21   6.825  -2.072  -5.370
  153    HA   ILE  21           HA       ILE  21   5.386  -1.943  -2.918
  154    HB   ILE  21           HB       ILE  21   4.520  -1.274  -5.752
  155   1HG1  ILE  21          2HG1      ILE  21   6.431   0.071  -4.889
  156   2HG1  ILE  21          3HG1      ILE  21   4.997   1.023  -5.228
  157   1HG2  ILE  21          1HG2      ILE  21   3.012  -0.680  -3.224
  158   2HG2  ILE  21          2HG2      ILE  21   2.759   0.137  -4.786
  159   3HG2  ILE  21          3HG2      ILE  21   2.475  -1.593  -4.643
  160   1HD1  ILE  21          2HD1      ILE  21   4.441   1.035  -2.772
  161   2HD1  ILE  21          3HD1      ILE  21   5.916   0.102  -2.471
  162   3HD1  ILE  21          1HD1      ILE  21   6.018   1.744  -3.110
  163    H    ARG  22           HN       ARG  22   4.720  -3.820  -5.842
  164    HA   ARG  22           HA       ARG  22   2.340  -5.074  -5.067
  165   1HB   ARG  22          2HB       ARG  22   4.337  -5.338  -7.118
  166   2HB   ARG  22          3HB       ARG  22   4.136  -6.946  -6.418
  167   1HG   ARG  22          2HG       ARG  22   1.808  -6.989  -6.947
  168   2HG   ARG  22          3HG       ARG  22   1.790  -5.240  -7.297
  169   1HD   ARG  22          2HD       ARG  22   3.239  -5.481  -9.187
  170   2HD   ARG  22          3HD       ARG  22   3.454  -7.211  -8.899
  171    HE   ARG  22           HE       ARG  22   1.062  -7.570  -9.275
  172   1HH1  ARG  22          2HH2      ARG  22   2.714  -4.933 -11.025
  173   2HH1  ARG  22          1HH2      ARG  22   1.279  -4.466 -11.907
  174   1HH2  ARG  22          2HH1      ARG  22  -0.756  -7.013 -10.500
  175   2HH2  ARG  22          1HH1      ARG  22  -0.734  -5.726 -11.666
  176    H    LYS  23           HN       LYS  23   5.741  -6.073  -4.379
  177    HA   LYS  23           HA       LYS  23   5.070  -8.289  -2.826
  178   1HB   LYS  23          2HB       LYS  23   7.513  -6.526  -2.340
  179   2HB   LYS  23          3HB       LYS  23   7.288  -8.205  -1.884
  180   1HG   LYS  23          2HG       LYS  23   7.619  -7.125  -4.706
  181   2HG   LYS  23          3HG       LYS  23   8.784  -8.045  -3.751
  182   1HD   LYS  23          2HD       LYS  23   7.052  -9.915  -3.683
  183   2HD   LYS  23          3HD       LYS  23   6.118  -8.985  -4.877
  184   1HE   LYS  23          2HE       LYS  23   8.113  -9.008  -6.414
  185   2HE   LYS  23          3HE       LYS  23   9.000  -9.973  -5.218
  186   1HZ   LYS  23          2HZ       LYS  23   6.537 -10.845  -6.577
  187   2HZ   LYS  23          3HZ       LYS  23   8.083 -11.332  -6.929
  188   3HZ   LYS  23          1HZ       LYS  23   7.412 -11.721  -5.490
  189    H    ALA  24           HN       ALA  24   5.589  -4.826  -1.942
  190    HA   ALA  24           HA       ALA  24   5.529  -5.082   0.797
  191   1HB   ALA  24          2HB       ALA  24   6.161  -3.156  -0.628
  192   2HB   ALA  24          3HB       ALA  24   4.440  -2.705  -0.684
  193   3HB   ALA  24          1HB       ALA  24   5.300  -2.832   0.879
  194    H    TYR  25           HN       TYR  25   2.858  -4.349  -1.417
  195    HA   TYR  25           HA       TYR  25   0.701  -4.386   0.398
  196   1HB   TYR  25          2HB       TYR  25   0.362  -3.581  -1.806
  197   2HB   TYR  25          3HB       TYR  25   1.129  -4.964  -2.548
  198    HD1  TYR  25           HD2      TYR  25  -2.060  -3.690  -1.199
  199    HD2  TYR  25           HD1      TYR  25  -0.030  -6.961  -3.140
  200    HE1  TYR  25           HE2      TYR  25  -4.165  -4.335  -2.322
  201    HE2  TYR  25           HE1      TYR  25  -2.148  -7.597  -4.262
  202    HH   TYR  25           HH       TYR  25  -5.178  -5.764  -3.826
  203    H    LYS  26           HN       LYS  26   2.079  -7.170  -1.484
  204    HA   LYS  26           HA       LYS  26   0.274  -8.937  -0.333
  205   1HB   LYS  26          2HB       LYS  26   1.126 -10.521  -1.566
  206   2HB   LYS  26          3HB       LYS  26   1.918  -9.184  -2.382
  207   1HG   LYS  26          2HG       LYS  26   4.015  -9.663  -1.199
  208   2HG   LYS  26          3HG       LYS  26   3.261 -10.960  -0.267
  209   1HD   LYS  26          2HD       LYS  26   3.220 -10.937  -3.303
  210   2HD   LYS  26          3HD       LYS  26   4.603 -11.585  -2.407
  211   1HE   LYS  26          2HE       LYS  26   3.363 -13.316  -1.402
  212   2HE   LYS  26          3HE       LYS  26   1.793 -12.594  -1.768
  213   1HZ   LYS  26          2HZ       LYS  26   3.604 -13.601  -3.849
  214   2HZ   LYS  26          3HZ       LYS  26   2.407 -14.472  -3.155
  215   3HZ   LYS  26          1HZ       LYS  26   2.015 -13.112  -4.011
  216    H    ARG  27           HN       ARG  27   3.593  -8.166   0.780
  217    HA   ARG  27           HA       ARG  27   3.632 -10.093   2.866
  218   1HB   ARG  27          2HB       ARG  27   5.478  -8.876   3.874
  219   2HB   ARG  27          3HB       ARG  27   5.698  -9.077   2.133
  220   1HG   ARG  27          2HG       ARG  27   4.899  -6.830   1.777
  221   2HG   ARG  27          3HG       ARG  27   4.750  -6.521   3.509
  222   1HD   ARG  27          2HD       ARG  27   7.340  -7.203   2.048
  223   2HD   ARG  27          3HD       ARG  27   6.848  -5.559   2.419
  224    HE   ARG  27           HE       ARG  27   8.143  -7.358   4.153
  225   1HH1  ARG  27          2HH2      ARG  27   5.989  -4.451   4.059
  226   2HH1  ARG  27          1HH2      ARG  27   6.324  -4.109   5.733
  227   1HH2  ARG  27          2HH1      ARG  27   8.552  -6.694   6.353
  228   2HH2  ARG  27          1HH1      ARG  27   7.746  -5.228   6.926
  229    H    LEU  28           HN       LEU  28   2.475  -6.583   2.904
  230    HA   LEU  28           HA       LEU  28   1.708  -6.662   5.628
  231   1HB   LEU  28          2HB       LEU  28   0.931  -5.172   3.145
  232   2HB   LEU  28          3HB       LEU  28  -0.155  -5.140   4.523
  233    HG   LEU  28           HG       LEU  28   1.536  -3.309   4.310
  234   1HD1  LEU  28          1HD1      LEU  28   0.297  -3.656   6.442
  235   2HD1  LEU  28          2HD1      LEU  28   1.511  -4.827   6.966
  236   3HD1  LEU  28          3HD1      LEU  28   1.945  -3.127   6.752
  237   1HD2  LEU  28          2HD2      LEU  28   3.528  -4.610   3.818
  238   2HD2  LEU  28          3HD2      LEU  28   3.746  -3.626   5.283
  239   3HD2  LEU  28          1HD2      LEU  28   3.487  -5.359   5.428
  240    H    ALA  29           HN       ALA  29  -0.180  -7.539   2.677
  241    HA   ALA  29           HA       ALA  29  -2.526  -8.067   4.041
  242   1HB   ALA  29          1HB       ALA  29  -2.271  -7.965   1.562
  243   2HB   ALA  29          2HB       ALA  29  -1.484  -9.557   1.586
  244   3HB   ALA  29          3HB       ALA  29  -3.183  -9.397   2.076
  245    H    MET  30           HN       MET  30   0.338 -10.147   3.663
  246    HA   MET  30           HA       MET  30  -0.792 -12.495   4.869
  247   1HB   MET  30          2HB       MET  30   1.780 -11.707   3.713
  248   2HB   MET  30          3HB       MET  30   2.048 -12.396   5.297
  249   1HG   MET  30          2HG       MET  30   2.033 -14.365   4.329
  250   2HG   MET  30          3HG       MET  30   0.289 -14.258   4.240
  251   1HE   MET  30          3HE       MET  30   0.059 -11.917   2.019
  252   2HE   MET  30          1HE       MET  30  -0.003 -12.819   0.505
  253   3HE   MET  30          2HE       MET  30  -0.967 -13.354   1.910
  254    H    LYS  31           HN       LYS  31   0.854  -9.618   6.075
  255    HA   LYS  31           HA       LYS  31   1.874 -10.705   8.442
  256   1HB   LYS  31          2HB       LYS  31   1.899  -8.181   7.143
  257   2HB   LYS  31          3HB       LYS  31   1.224  -7.868   8.716
  258   1HG   LYS  31          2HG       LYS  31   3.413  -7.634   9.252
  259   2HG   LYS  31          3HG       LYS  31   3.358  -9.367   9.500
  260   1HD   LYS  31          2HD       LYS  31   4.208  -7.852   6.978
  261   2HD   LYS  31          3HD       LYS  31   5.321  -8.618   8.107
  262   1HE   LYS  31          2HE       LYS  31   3.222 -10.316   6.675
  263   2HE   LYS  31          3HE       LYS  31   4.656  -9.780   5.822
  264   1HZ   LYS  31          2HZ       LYS  31   5.996 -10.855   7.441
  265   2HZ   LYS  31          3HZ       LYS  31   4.707 -11.380   8.297
  266   3HZ   LYS  31          1HZ       LYS  31   4.965 -11.924   6.760
  267    H    TYR  32           HN       TYR  32  -1.335  -9.452   7.760
  268    HA   TYR  32           HA       TYR  32  -2.234 -10.473  10.405
  269   1HB   TYR  32          2HB       TYR  32  -3.882  -8.615  10.290
  270   2HB   TYR  32          3HB       TYR  32  -2.234  -8.081  10.577
  271    HD1  TYR  32           HD2      TYR  32  -5.091  -8.037   8.214
  272    HD2  TYR  32           HD1      TYR  32  -1.006  -6.802   8.854
  273    HE1  TYR  32           HE2      TYR  32  -5.046  -7.025   5.992
  274    HE2  TYR  32           HE1      TYR  32  -1.091  -5.497   6.769
  275    HH   TYR  32           HH       TYR  32  -2.168  -5.343   4.705
  276    H    HIS  33           HN       HIS  33  -2.006 -12.027   8.022
  277    HA   HIS  33           HA       HIS  33  -4.273 -11.934   6.381
  278   1HB   HIS  33          2HB       HIS  33  -2.122 -13.673   6.627
  279   2HB   HIS  33          3HB       HIS  33  -3.451 -14.677   7.200
  280    HD1  HIS  33           HD1      HIS  33  -3.029 -12.281   4.165
  281    HD2  HIS  33           HD2      HIS  33  -4.244 -16.169   5.228
  282    HE1  HIS  33           HE1      HIS  33  -3.571 -13.532   1.987
  283    HA   PRO  34           HA       PRO  34  -7.436 -12.668   9.328
  284   1HB   PRO  34          2HB       PRO  34  -9.573 -13.509   7.808
  285   2HB   PRO  34          3HB       PRO  34  -8.897 -11.863   7.755
  286   1HG   PRO  34          2HG       PRO  34  -8.266 -14.151   5.877
  287   2HG   PRO  34          3HG       PRO  34  -8.727 -12.471   5.456
  288   1HD   PRO  34          2HD       PRO  34  -6.138 -13.238   5.502
  289   2HD   PRO  34          3HD       PRO  34  -6.618 -11.630   6.119
  290    H    ASP  35           HN       ASP  35  -5.948 -14.407  10.162
  291    HA   ASP  35           HA       ASP  35  -6.678 -17.217   9.796
  292   1HB   ASP  35          2HB       ASP  35  -4.956 -15.658  11.749
  293   2HB   ASP  35          3HB       ASP  35  -5.268 -17.401  11.928
  294    H    ARG  36           HN       ARG  36  -8.936 -16.674  10.002
  295    HA   ARG  36           HA       ARG  36 -10.850 -16.000  10.934
  296   1HB   ARG  36          2HB       ARG  36 -11.638 -17.411  12.886
  297   2HB   ARG  36          3HB       ARG  36 -11.171 -18.163  11.372
  298   1HG   ARG  36          2HG       ARG  36 -10.176 -19.662  12.644
  299   2HG   ARG  36          3HG       ARG  36  -8.825 -18.549  12.639
  300   1HD   ARG  36          2HD       ARG  36 -10.980 -18.830  14.778
  301   2HD   ARG  36          3HD       ARG  36  -9.338 -19.437  14.898
  302    HE   ARG  36           HE       ARG  36 -10.215 -16.576  14.878
  303   1HH1  ARG  36          2HH2      ARG  36  -7.366 -18.677  15.033
  304   2HH1  ARG  36          1HH2      ARG  36  -6.582 -17.716  16.278
  305   1HH2  ARG  36          2HH1      ARG  36  -9.045 -15.147  16.170
  306   2HH2  ARG  36          1HH1      ARG  36  -7.389 -15.506  16.577
  307    H    ASN  37           HN       ASN  37  -9.243 -14.070  11.197
  308    HA   ASN  37           HA       ASN  37  -8.985 -13.010  13.901
  309   1HB   ASN  37          2HB       ASN  37  -7.327 -12.709  12.024
  310   2HB   ASN  37          3HB       ASN  37  -8.491 -11.648  11.222
  311   1HD2  ASN  37          2HD2      ASN  37  -7.941  -8.882  13.448
  312   2HD2  ASN  37          1HD2      ASN  37  -9.138  -9.673  12.443
  313    H    GLN  38           HN       GLN  38 -11.481 -13.559  13.800
  314    HA   GLN  38           HA       GLN  38 -13.222 -11.554  12.576
  315   1HB   GLN  38          2HB       GLN  38 -15.033 -12.777  13.688
  316   2HB   GLN  38          3HB       GLN  38 -13.971 -13.865  12.789
  317   1HG   GLN  38          2HG       GLN  38 -12.885 -14.582  14.906
  318   2HG   GLN  38          3HG       GLN  38 -13.837 -13.400  15.811
  319   1HE2  GLN  38          2HE2      GLN  38 -15.875 -16.640  14.267
  320   2HE2  GLN  38          1HE2      GLN  38 -14.562 -15.957  13.321
  321    H    GLY  39           HN       GLY  39 -14.871 -10.390  14.026
  322   1HA   GLY  39          1HA       GLY  39 -15.445  -9.111  15.865
  323   2HA   GLY  39          2HA       GLY  39 -14.046  -9.716  16.760
  324    H    ASP  40           HN       ASP  40 -12.035  -9.099  14.902
  325    HA   ASP  40           HA       ASP  40 -11.259  -6.507  15.408
  326   1HB   ASP  40          2HB       ASP  40 -10.019  -8.597  14.523
  327   2HB   ASP  40          3HB       ASP  40 -10.538  -8.080  12.912
  328    H    LYS  41           HN       LYS  41 -10.788  -4.954  13.714
  329    HA   LYS  41           HA       LYS  41 -12.427  -4.618  11.391
  330   1HB   LYS  41          2HB       LYS  41 -12.628  -2.558  13.634
  331   2HB   LYS  41          3HB       LYS  41 -12.942  -2.246  11.908
  332   1HG   LYS  41          2HG       LYS  41 -14.886  -3.698  11.924
  333   2HG   LYS  41          3HG       LYS  41 -14.482  -4.264  13.547
  334   1HD   LYS  41          2HD       LYS  41 -16.226  -2.677  13.814
  335   2HD   LYS  41          3HD       LYS  41 -14.764  -1.955  14.453
  336   1HE   LYS  41          2HE       LYS  41 -16.146  -1.292  11.793
  337   2HE   LYS  41          3HE       LYS  41 -16.125  -0.313  13.263
  338   1HZ   LYS  41          2HZ       LYS  41 -13.542  -0.312  12.798
  339   2HZ   LYS  41          3HZ       LYS  41 -14.048  -0.636  11.266
  340   3HZ   LYS  41          1HZ       LYS  41 -14.551   0.703  12.016
  341    H    GLU  42           HN       GLU  42 -10.180  -3.250  13.808
  342    HA   GLU  42           HA       GLU  42  -9.030  -1.175  12.328
  343   1HB   GLU  42          2HB       GLU  42  -7.054  -1.561  13.813
  344   2HB   GLU  42          3HB       GLU  42  -8.568  -1.213  14.632
  345   1HG   GLU  42          2HG       GLU  42  -8.752  -3.385  15.498
  346   2HG   GLU  42          3HG       GLU  42  -7.747  -4.087  14.228
  347    H    ALA  43           HN       ALA  43  -8.098  -4.675  12.400
  348    HA   ALA  43           HA       ALA  43  -5.905  -4.379  10.866
  349   1HB   ALA  43          3HB       ALA  43  -6.438  -6.454  12.074
  350   2HB   ALA  43          1HB       ALA  43  -7.813  -6.761  10.990
  351   3HB   ALA  43          2HB       ALA  43  -6.150  -6.830  10.366
  352    H    GLU  44           HN       GLU  44  -9.295  -4.680   9.854
  353    HA   GLU  44           HA       GLU  44  -8.617  -4.969   7.046
  354   1HB   GLU  44          2HB       GLU  44 -10.825  -5.782   8.153
  355   2HB   GLU  44          3HB       GLU  44 -11.334  -4.083   8.015
  356   1HG   GLU  44          2HG       GLU  44 -10.506  -4.291   5.526
  357   2HG   GLU  44          3HG       GLU  44 -10.521  -6.032   5.816
  358    H    ALA  45           HN       ALA  45  -9.708  -2.297   9.241
  359    HA   ALA  45           HA       ALA  45  -9.903  -0.382   7.228
  360   1HB   ALA  45          1HB       ALA  45  -9.337  -0.198  10.212
  361   2HB   ALA  45          2HB       ALA  45  -9.558   1.243   9.204
  362   3HB   ALA  45          3HB       ALA  45 -10.880   0.066   9.381
  363    H    LYS  46           HN       LYS  46  -7.146  -1.582   9.026
  364    HA   LYS  46           HA       LYS  46  -5.203   0.267   7.953
  365   1HB   LYS  46          2HB       LYS  46  -5.059  -1.232  10.032
  366   2HB   LYS  46          3HB       LYS  46  -4.799  -2.564   8.937
  367   1HG   LYS  46          2HG       LYS  46  -2.628  -1.984   9.467
  368   2HG   LYS  46          3HG       LYS  46  -2.814  -0.995   8.014
  369   1HD   LYS  46          2HD       LYS  46  -3.376   0.977   9.360
  370   2HD   LYS  46          3HD       LYS  46  -3.415   0.037  10.845
  371   1HE   LYS  46          2HE       LYS  46  -0.949   0.603   9.148
  372   2HE   LYS  46          3HE       LYS  46  -1.363   1.339  10.695
  373   1HZ   LYS  46          3HZ       LYS  46  -1.256  -0.865  11.705
  374   2HZ   LYS  46          1HZ       LYS  46  -0.686  -1.519  10.297
  375   3HZ   LYS  46          2HZ       LYS  46   0.185  -0.386  11.091
  376    H    PHE  47           HN       PHE  47  -6.319  -3.046   7.035
  377    HA   PHE  47           HA       PHE  47  -4.870  -3.390   4.621
  378   1HB   PHE  47          2HB       PHE  47  -6.267  -5.139   5.575
  379   2HB   PHE  47          3HB       PHE  47  -7.710  -4.258   5.121
  380    HD1  PHE  47          2HD       PHE  47  -8.383  -3.834   2.802
  381    HD2  PHE  47          1HD       PHE  47  -5.109  -6.475   3.809
  382    HE1  PHE  47          2HE       PHE  47  -8.498  -4.849   0.561
  383    HE2  PHE  47          1HE       PHE  47  -5.423  -7.656   1.666
  384    HZ   PHE  47           HZ       PHE  47  -7.038  -6.784  -0.016
  385    H    LYS  48           HN       LYS  48  -7.726  -1.288   5.268
  386    HA   LYS  48           HA       LYS  48  -8.226  -0.840   2.541
  387   1HB   LYS  48          2HB       LYS  48  -8.928   0.890   4.918
  388   2HB   LYS  48          3HB       LYS  48  -9.438   1.232   3.269
  389   1HG   LYS  48          2HG       LYS  48 -10.470  -1.033   3.092
  390   2HG   LYS  48          3HG       LYS  48  -9.918  -1.376   4.691
  391   1HD   LYS  48          2HD       LYS  48 -11.888  -0.535   5.487
  392   2HD   LYS  48          3HD       LYS  48 -11.346   1.066   4.973
  393   1HE   LYS  48          2HE       LYS  48 -12.984  -0.900   3.323
  394   2HE   LYS  48          3HE       LYS  48 -13.558   0.603   4.051
  395   1HZ   LYS  48          2HZ       LYS  48 -11.454   0.518   1.976
  396   2HZ   LYS  48          3HZ       LYS  48 -13.032   0.720   1.677
  397   3HZ   LYS  48          1HZ       LYS  48 -12.242   1.857   2.557
  398    H    GLU  49           HN       GLU  49  -6.023   0.858   4.843
  399    HA   GLU  49           HA       GLU  49  -5.208   2.934   3.059
  400   1HB   GLU  49          2HB       GLU  49  -3.591   1.494   5.225
  401   2HB   GLU  49          3HB       GLU  49  -3.196   3.005   4.420
  402   1HG   GLU  49          2HG       GLU  49  -5.240   4.045   5.377
  403   2HG   GLU  49          3HG       GLU  49  -5.557   2.537   6.266
  404    H    ILE  50           HN       ILE  50  -3.920  -0.303   3.783
  405    HA   ILE  50           HA       ILE  50  -1.633  -0.087   2.105
  406    HB   ILE  50           HB       ILE  50  -3.073  -2.579   3.061
  407   1HG1  ILE  50          2HG1      ILE  50  -0.677  -1.342   4.466
  408   2HG1  ILE  50          3HG1      ILE  50  -2.271  -0.747   4.859
  409   1HG2  ILE  50          1HG2      ILE  50  -1.242  -2.996   1.334
  410   2HG2  ILE  50          2HG2      ILE  50  -0.087  -2.266   2.465
  411   3HG2  ILE  50          3HG2      ILE  50  -0.950  -3.739   2.900
  412   1HD1  ILE  50          1HD1      ILE  50  -1.432  -3.629   5.074
  413   2HD1  ILE  50          2HD1      ILE  50  -1.652  -2.516   6.421
  414   3HD1  ILE  50          3HD1      ILE  50  -3.025  -3.030   5.465
  415    H    LYS  51           HN       LYS  51  -4.933  -1.226   1.513
  416    HA   LYS  51           HA       LYS  51  -4.595  -2.215  -1.147
  417   1HB   LYS  51          2HB       LYS  51  -6.449  -2.677   0.496
  418   2HB   LYS  51          3HB       LYS  51  -7.070  -1.050   0.221
  419   1HG   LYS  51          2HG       LYS  51  -6.825  -3.309  -1.808
  420   2HG   LYS  51          3HG       LYS  51  -8.282  -2.810  -0.946
  421   1HD   LYS  51          2HD       LYS  51  -7.900  -0.465  -2.065
  422   2HD   LYS  51          3HD       LYS  51  -6.833  -1.355  -3.175
  423   1HE   LYS  51          2HE       LYS  51  -8.783  -2.968  -3.576
  424   2HE   LYS  51          3HE       LYS  51  -9.794  -1.868  -2.620
  425   1HZ   LYS  51          1HZ       LYS  51  -9.207  -0.135  -4.250
  426   2HZ   LYS  51          2HZ       LYS  51  -8.459  -1.250  -5.187
  427   3HZ   LYS  51          3HZ       LYS  51 -10.047  -1.384  -4.927
  428    H    GLU  52           HN       GLU  52  -5.690   0.913   0.231
  429    HA   GLU  52           HA       GLU  52  -6.252   2.271  -2.146
  430   1HB   GLU  52          2HB       GLU  52  -6.733   2.905   0.243
  431   2HB   GLU  52          3HB       GLU  52  -5.084   3.475   0.432
  432   1HG   GLU  52          2HG       GLU  52  -5.463   5.286  -1.077
  433   2HG   GLU  52          3HG       GLU  52  -6.958   4.560  -1.698
  434    H    ALA  53           HN       ALA  53  -3.233   2.234  -0.241
  435    HA   ALA  53           HA       ALA  53  -1.600   3.803  -1.891
  436   1HB   ALA  53          2HB       ALA  53  -0.992   2.948   0.363
  437   2HB   ALA  53          3HB       ALA  53  -0.889   1.314  -0.314
  438   3HB   ALA  53          1HB       ALA  53   0.259   2.562  -0.853
  439    H    TYR  54           HN       TYR  54  -2.038   0.215  -1.979
  440    HA   TYR  54           HA       TYR  54  -0.402  -0.279  -4.233
  441   1HB   TYR  54          2HB       TYR  54  -1.114  -2.061  -2.856
  442   2HB   TYR  54          3HB       TYR  54  -2.814  -1.681  -3.050
  443    HD1  TYR  54           HD1      TYR  54  -4.063  -2.230  -5.095
  444    HD2  TYR  54           HD2      TYR  54   0.030  -3.461  -4.512
  445    HE1  TYR  54           HE1      TYR  54  -4.323  -3.927  -6.871
  446    HE2  TYR  54           HE2      TYR  54  -0.283  -5.248  -6.208
  447    HH   TYR  54           HH       TYR  54  -3.122  -5.326  -8.301
  448    H    GLU  55           HN       GLU  55  -3.927   0.617  -4.095
  449    HA   GLU  55           HA       GLU  55  -4.496   0.190  -6.784
  450   1HB   GLU  55          2HB       GLU  55  -6.183  -0.038  -5.242
  451   2HB   GLU  55          3HB       GLU  55  -5.679   1.363  -4.312
  452   1HG   GLU  55          2HG       GLU  55  -6.497   2.891  -5.724
  453   2HG   GLU  55          3HG       GLU  55  -6.773   1.669  -7.022
  454    H    VAL  56           HN       VAL  56  -3.467   3.033  -4.885
  455    HA   VAL  56           HA       VAL  56  -3.602   4.947  -7.086
  456    HB   VAL  56           HB       VAL  56  -2.200   4.883  -4.361
  457   1HG1  VAL  56          2HG1      VAL  56  -2.248   7.122  -6.420
  458   2HG1  VAL  56          3HG1      VAL  56  -1.803   7.334  -4.716
  459   3HG1  VAL  56          1HG1      VAL  56  -0.814   6.301  -5.748
  460   1HG2  VAL  56          2HG2      VAL  56  -4.705   5.148  -4.379
  461   2HG2  VAL  56          3HG2      VAL  56  -3.850   6.560  -3.736
  462   3HG2  VAL  56          1HG2      VAL  56  -4.502   6.595  -5.389
  463    H    LEU  57           HN       LEU  57  -0.967   2.820  -5.757
  464    HA   LEU  57           HA       LEU  57   0.935   3.887  -7.686
  465   1HB   LEU  57          2HB       LEU  57   1.024   1.568  -5.699
  466   2HB   LEU  57          3HB       LEU  57   2.407   2.188  -6.631
  467    HG   LEU  57           HG       LEU  57   0.885   3.816  -4.565
  468   1HD1  LEU  57          2HD1      LEU  57   2.273   2.010  -3.521
  469   2HD1  LEU  57          3HD1      LEU  57   3.690   2.649  -4.389
  470   3HD1  LEU  57          1HD1      LEU  57   2.869   3.624  -3.169
  471   1HD2  LEU  57          3HD2      LEU  57   3.292   4.447  -6.331
  472   2HD2  LEU  57          1HD2      LEU  57   1.722   5.258  -6.267
  473   3HD2  LEU  57          2HD2      LEU  57   2.816   5.317  -4.881
  474    H    THR  58           HN       THR  58   1.727   1.014  -7.908
  475    HA   THR  58           HA       THR  58   1.862  -0.354  -9.741
  476    HB   THR  58           HB       THR  58  -0.068  -1.829 -10.085
  477    HG1  THR  58          1HG       THR  58  -1.274  -0.124  -8.132
  478   1HG2  THR  58          1HG2      THR  58   1.636  -2.243  -8.319
  479   2HG2  THR  58          2HG2      THR  58   0.639  -1.329  -7.159
  480   3HG2  THR  58          3HG2      THR  58   0.022  -2.833  -7.874
  481    H    ASP  59           HN       ASP  59   1.566   2.347 -10.527
  482    HA   ASP  59           HA       ASP  59   0.750   1.936 -13.287
  483   1HB   ASP  59          2HB       ASP  59  -1.395   2.696 -12.265
  484   2HB   ASP  59          3HB       ASP  59  -0.595   4.169 -11.729
  485    H    SER  60           HN       SER  60   3.058   2.004 -12.330
  486    HA   SER  60           HA       SER  60   5.092   2.538 -12.723
  487   1HB   SER  60          2HB       SER  60   5.837   4.165 -14.299
  488   2HB   SER  60          3HB       SER  60   4.517   3.187 -14.936
  489    HG   SER  60           HG       SER  60   4.559   5.892 -14.178
  490    H    GLN  61           HN       GLN  61   3.234   5.440 -11.814
  491    HA   GLN  61           HA       GLN  61   5.184   6.074  -9.699
  492   1HB   GLN  61          2HB       GLN  61   5.792   7.155 -11.739
  493   2HB   GLN  61          3HB       GLN  61   4.176   7.794 -12.025
  494   1HG   GLN  61          2HG       GLN  61   4.357   9.429 -10.500
  495   2HG   GLN  61          3HG       GLN  61   5.258   8.400  -9.371
  496   1HE2  GLN  61          2HE2      GLN  61   7.404  10.846 -11.865
  497   2HE2  GLN  61          1HE2      GLN  61   5.710  10.537 -12.265
  498    H    LYS  62           HN       LYS  62   2.305   7.688 -11.075
  499    HA   LYS  62           HA       LYS  62   0.744   8.925  -9.968
  500   1HB   LYS  62          2HB       LYS  62   0.128   6.014  -9.480
  501   2HB   LYS  62          3HB       LYS  62  -1.036   7.310  -9.133
  502   1HG   LYS  62          2HG       LYS  62  -0.522   7.988 -11.661
  503   2HG   LYS  62          3HG       LYS  62  -0.117   6.282 -11.762
  504   1HD   LYS  62          2HD       LYS  62  -2.417   6.027 -12.033
  505   2HD   LYS  62          3HD       LYS  62  -2.462   6.135 -10.282
  506   1HE   LYS  62          2HE       LYS  62  -2.860   8.576 -10.373
  507   2HE   LYS  62          3HE       LYS  62  -2.687   8.562 -12.136
  508   1HZ   LYS  62          3HZ       LYS  62  -4.629   7.145 -12.258
  509   2HZ   LYS  62          1HZ       LYS  62  -4.829   7.250 -10.613
  510   3HZ   LYS  62          2HZ       LYS  62  -4.978   8.591 -11.543
  511    H    ARG  63           HN       ARG  63   2.957   8.828  -8.049
  512    HA   ARG  63           HA       ARG  63   1.326   9.414  -5.647
  513   1HB   ARG  63          2HB       ARG  63   1.656   7.164  -5.520
  514   2HB   ARG  63          3HB       ARG  63   3.421   7.287  -5.749
  515   1HG   ARG  63          2HG       ARG  63   2.948   6.808  -3.447
  516   2HG   ARG  63          3HG       ARG  63   3.455   8.491  -3.504
  517   1HD   ARG  63          2HD       ARG  63   0.527   7.594  -3.598
  518   2HD   ARG  63          3HD       ARG  63   1.419   7.818  -2.087
  519    HE   ARG  63           HE       ARG  63   1.953  10.164  -2.999
  520   1HH1  ARG  63          2HH2      ARG  63  -1.218   8.571  -3.081
  521   2HH1  ARG  63          1HH2      ARG  63  -2.070  10.077  -3.272
  522   1HH2  ARG  63          2HH1      ARG  63   0.856  12.049  -2.906
  523   2HH2  ARG  63          1HH1      ARG  63  -0.916  12.065  -3.009
  524    H    ALA  64           HN       ALA  64   4.678   8.880  -6.714
  525    HA   ALA  64           HA       ALA  64   5.853  11.239  -5.607
  526   1HB   ALA  64          3HB       ALA  64   6.564   9.500  -7.966
  527   2HB   ALA  64          1HB       ALA  64   7.582  10.829  -7.393
  528   3HB   ALA  64          2HB       ALA  64   7.244   9.428  -6.347
  529    H    ALA  65           HN       ALA  65   3.802  10.750  -8.490
  530    HA   ALA  65           HA       ALA  65   4.442  13.125  -9.785
  531   1HB   ALA  65          3HB       ALA  65   1.835  11.582  -9.771
  532   2HB   ALA  65          1HB       ALA  65   2.152  12.985 -10.793
  533   3HB   ALA  65          2HB       ALA  65   3.129  11.525 -10.979
  534    H    TYR  66           HN       TYR  66   1.679  12.515  -7.469
  535    HA   TYR  66           HA       TYR  66   0.995  15.216  -7.135
  536   1HB   TYR  66          2HB       TYR  66  -0.236  13.181  -6.185
  537   2HB   TYR  66          3HB       TYR  66   1.041  13.019  -4.988
  538    HD1  TYR  66           HD1      TYR  66   1.380  15.286  -3.442
  539    HD2  TYR  66           HD2      TYR  66  -2.244  13.959  -5.361
  540    HE1  TYR  66           HE1      TYR  66   0.074  16.875  -2.088
  541    HE2  TYR  66           HE2      TYR  66  -3.548  15.458  -3.923
  542    HH   TYR  66           HH       TYR  66  -3.448  17.295  -2.593
  543    H    ASP  67           HN       ASP  67   3.535  13.483  -5.302
  544    HA   ASP  67           HA       ASP  67   4.053  15.733  -3.651
  545   1HB   ASP  67          2HB       ASP  67   5.087  13.637  -3.119
  546   2HB   ASP  67          3HB       ASP  67   5.948  13.595  -4.677
  547    H    GLN  68           HN       GLN  68   5.646  14.821  -6.747
  548    HA   GLN  68           HA       GLN  68   7.401  17.003  -6.726
  549   1HB   GLN  68          2HB       GLN  68   7.566  14.727  -7.931
  550   2HB   GLN  68          3HB       GLN  68   6.517  15.437  -9.176
  551   1HG   GLN  68          2HG       GLN  68   8.249  17.375  -9.168
  552   2HG   GLN  68          3HG       GLN  68   9.305  16.268  -8.284
  553   1HE2  GLN  68          2HE2      GLN  68   8.684  15.843 -12.323
  554   2HE2  GLN  68          1HE2      GLN  68   7.879  17.061 -11.367
  555    H    TYR  69           HN       TYR  69   4.348  16.462  -8.543
  556    HA   TYR  69           HA       TYR  69   4.436  19.093  -9.803
  557   1HB   TYR  69          2HB       TYR  69   2.312  16.902  -9.538
  558   2HB   TYR  69          3HB       TYR  69   1.910  18.467 -10.170
  559    HD1  TYR  69           HD1      TYR  69   3.422  19.458 -12.050
  560    HD2  TYR  69           HD2      TYR  69   2.780  15.284 -11.225
  561    HE1  TYR  69           HE1      TYR  69   3.588  18.957 -14.467
  562    HE2  TYR  69           HE2      TYR  69   2.791  14.808 -13.652
  563    HH   TYR  69           HH       TYR  69   2.649  15.828 -15.773
  564    H    GLY  70           HN       GLY  70   3.070  17.747  -6.896
  565   1HA   GLY  70          1HA       GLY  70   2.107  18.817  -5.074
  566   2HA   GLY  70          2HA       GLY  70   2.079  20.310  -6.003
  567    H    HIS  71           HN       HIS  71  -0.085  18.535  -4.685
  568    HA   HIS  71           HA       HIS  71  -2.229  17.832  -5.099
  569   1HB   HIS  71          2HB       HIS  71  -3.587  19.564  -6.018
  570   2HB   HIS  71          3HB       HIS  71  -2.393  20.221  -4.896
  571    HD1  HIS  71           HD1      HIS  71  -3.314  20.157  -8.619
  572    HD2  HIS  71           HD2      HIS  71  -0.578  21.959  -5.976
  573    HE1  HIS  71           HE1      HIS  71  -1.964  21.796  -9.989
  574    H    ALA  72           HN       ALA  72  -0.731  16.268  -6.645
  575    HA   ALA  72           HA       ALA  72  -0.396  15.218  -8.617
  576   1HB   ALA  72          1HB       ALA  72  -2.252  13.982  -7.547
  577   2HB   ALA  72          2HB       ALA  72  -3.269  14.662  -8.862
  578   3HB   ALA  72          3HB       ALA  72  -1.865  13.677  -9.239
  579    H    ALA  73           HN       ALA  73  -0.604  18.049  -9.199
  580    HA   ALA  73           HA       ALA  73  -0.711  19.418 -10.980
  581   1HB   ALA  73          1HB       ALA  73   0.590  17.413 -11.919
  582   2HB   ALA  73          2HB       ALA  73  -0.884  16.943 -12.754
  583   3HB   ALA  73          3HB       ALA  73  -0.123  18.511 -13.113
  584    H    PHE  74           HN       PHE  74  -3.288  18.047  -9.838
  585    HA   PHE  74           HA       PHE  74  -5.369  19.114 -11.433
  586   1HB   PHE  74          2HB       PHE  74  -4.393  17.222 -12.981
  587   2HB   PHE  74          3HB       PHE  74  -5.155  16.122 -11.853
  588    HD1  PHE  74          2HD       PHE  74  -7.648  15.977 -11.776
  589    HD2  PHE  74          1HD       PHE  74  -5.627  18.655 -14.495
  590    HE1  PHE  74          2HE       PHE  74  -9.754  16.301 -13.031
  591    HE2  PHE  74          1HE       PHE  74  -7.755  18.981 -15.733
  592    HZ   PHE  74           HZ       PHE  74  -9.825  17.844 -14.977
  593    H    GLU  75           HN       GLU  75  -4.227  17.066  -8.875
  594    HA   GLU  75           HA       GLU  75  -6.796  16.194  -7.851
  595   1HB   GLU  75          2HB       GLU  75  -3.902  15.862  -7.219
  596   2HB   GLU  75          3HB       GLU  75  -4.902  15.886  -5.812
  597   1HG   GLU  75          2HG       GLU  75  -5.479  14.123  -8.214
  598   2HG   GLU  75          3HG       GLU  75  -4.462  13.636  -6.851
  599    H    GLN  76           HN       GLN  76  -5.524  19.237  -8.011
  600    HA   GLN  76           HA       GLN  76  -5.848  21.165  -6.902
  601   1HB   GLN  76          2HB       GLN  76  -7.886  20.601  -8.185
  602   2HB   GLN  76          3HB       GLN  76  -8.564  19.852  -6.743
  603   1HG   GLN  76          2HG       GLN  76  -7.795  22.459  -5.880
  604   2HG   GLN  76          3HG       GLN  76  -8.365  22.708  -7.518
  605   1HE2  GLN  76          2HE2      GLN  76 -10.940  21.162  -4.584
  606   2HE2  GLN  76          1HE2      GLN  76  -9.193  20.832  -4.623
   
  No H/Q in entry =         606
  Start of MODEL   11
    1   1H    ALA   2          2HN       ALA   2  -0.674  15.378  -2.404
    2   2H    ALA   2          3HN       ALA   2   0.270  14.985  -3.743
    3   3H    ALA   2          1HN       ALA   2  -0.785  16.184  -3.826
    4    HA   ALA   2           HA       ALA   2  -2.616  15.011  -3.847
    5   1HB   ALA   2          2HB       ALA   2  -1.368  14.855  -5.979
    6   2HB   ALA   2          3HB       ALA   2  -0.623  13.335  -5.430
    7   3HB   ALA   2          1HB       ALA   2  -2.375  13.427  -5.716
    8    H    LYS   3           HN       LYS   3  -0.604  13.582  -1.587
    9    HA   LYS   3           HA       LYS   3  -2.763  12.013  -0.746
   10   1HB   LYS   3          2HB       LYS   3  -1.632  10.503  -2.569
   11   2HB   LYS   3          3HB       LYS   3  -0.297  10.374  -1.445
   12   1HG   LYS   3          2HG       LYS   3  -1.557   8.446  -1.232
   13   2HG   LYS   3          3HG       LYS   3  -1.992   9.324   0.210
   14   1HD   LYS   3          2HD       LYS   3  -3.710   9.508  -2.320
   15   2HD   LYS   3          3HD       LYS   3  -3.761   8.089  -1.283
   16   1HE   LYS   3          2HE       LYS   3  -4.278   9.655   0.669
   17   2HE   LYS   3          3HE       LYS   3  -4.619  10.917  -0.528
   18   1HZ   LYS   3          3HZ       LYS   3  -5.881   8.282  -0.333
   19   2HZ   LYS   3          1HZ       LYS   3  -6.565   9.630   0.205
   20   3HZ   LYS   3          2HZ       LYS   3  -6.361   9.406  -1.414
   21    H    GLN   4           HN       GLN   4  -2.350  11.158   1.393
   22    HA   GLN   4           HA       GLN   4  -0.258  12.239   3.069
   23   1HB   GLN   4          2HB       GLN   4  -1.268  10.229   4.367
   24   2HB   GLN   4          3HB       GLN   4  -2.186  11.737   4.294
   25   1HG   GLN   4          2HG       GLN   4  -3.670  10.648   2.617
   26   2HG   GLN   4          3HG       GLN   4  -2.645   9.199   2.655
   27   1HE2  GLN   4          2HE2      GLN   4  -5.635   9.692   5.321
   28   2HE2  GLN   4          1HE2      GLN   4  -5.300  10.901   4.100
   29    H    ASP   5           HN       ASP   5   1.291  10.608   4.091
   30    HA   ASP   5           HA       ASP   5   2.774   9.486   1.964
   31   1HB   ASP   5          2HB       ASP   5   3.926   9.977   4.044
   32   2HB   ASP   5          3HB       ASP   5   3.040   8.647   4.844
   33    H    TYR   6           HN       TYR   6   3.185   7.478   1.314
   34    HA   TYR   6           HA       TYR   6   1.147   5.327   1.767
   35   1HB   TYR   6          2HB       TYR   6   1.694   4.749  -0.673
   36   2HB   TYR   6          3HB       TYR   6   0.653   6.131  -0.384
   37    HD1  TYR   6           HD2      TYR   6   4.062   5.116  -1.514
   38    HD2  TYR   6           HD1      TYR   6   1.270   8.355  -1.014
   39    HE1  TYR   6           HE2      TYR   6   5.175   6.370  -3.326
   40    HE2  TYR   6           HE1      TYR   6   2.519   9.680  -2.670
   41    HH   TYR   6           HH       TYR   6   5.303   8.462  -4.561
   42    H    TYR   7           HN       TYR   7   4.543   6.337   1.278
   43    HA   TYR   7           HA       TYR   7   5.405   3.750   0.457
   44   1HB   TYR   7          2HB       TYR   7   6.884   6.131   1.641
   45   2HB   TYR   7          3HB       TYR   7   7.689   4.652   1.147
   46    HD1  TYR   7           HD2      TYR   7   7.299   3.783  -1.264
   47    HD2  TYR   7           HD1      TYR   7   6.630   7.862  -0.031
   48    HE1  TYR   7           HE2      TYR   7   8.029   4.580  -3.491
   49    HE2  TYR   7           HE1      TYR   7   7.386   8.653  -2.258
   50    HH   TYR   7           HH       TYR   7   7.671   7.793  -4.582
   51    H    GLU   8           HN       GLU   8   5.199   5.358   3.765
   52    HA   GLU   8           HA       GLU   8   6.666   3.164   4.902
   53   1HB   GLU   8          2HB       GLU   8   6.223   5.865   5.561
   54   2HB   GLU   8          3HB       GLU   8   5.294   4.954   6.773
   55   1HG   GLU   8          2HG       GLU   8   7.365   3.579   7.014
   56   2HG   GLU   8          3HG       GLU   8   8.224   4.723   5.941
   57    H    ILE   9           HN       ILE   9   3.335   4.207   4.457
   58    HA   ILE   9           HA       ILE   9   2.045   2.450   6.181
   59    HB   ILE   9           HB       ILE   9   1.168   3.488   3.455
   60   1HG1  ILE   9          2HG1      ILE   9   0.837   4.449   6.331
   61   2HG1  ILE   9          3HG1      ILE   9   1.640   5.290   4.995
   62   1HG2  ILE   9          2HG2      ILE   9  -0.129   1.472   4.097
   63   2HG2  ILE   9          3HG2      ILE   9  -0.538   2.255   5.642
   64   3HG2  ILE   9          1HG2      ILE   9  -1.108   2.921   4.094
   65   1HD1  ILE   9          3HD1      ILE   9  -0.604   5.341   3.821
   66   2HD1  ILE   9          1HD1      ILE   9  -1.324   4.794   5.357
   67   3HD1  ILE   9          2HD1      ILE   9  -0.451   6.334   5.296
   68    H    LEU  10           HN       LEU  10   3.246   1.949   2.818
   69    HA   LEU  10           HA       LEU  10   2.578  -0.877   2.872
   70   1HB   LEU  10          2HB       LEU  10   4.039   0.921   0.936
   71   2HB   LEU  10          3HB       LEU  10   4.153  -0.836   0.835
   72    HG   LEU  10           HG       LEU  10   1.567  -0.911   0.923
   73   1HD1  LEU  10          3HD1      LEU  10   1.924   1.987   0.086
   74   2HD1  LEU  10          1HD1      LEU  10   0.438   1.025  -0.026
   75   3HD1  LEU  10          2HD1      LEU  10   1.100   1.427   1.567
   76   1HD2  LEU  10          2HD2      LEU  10   2.929  -1.406  -1.043
   77   2HD2  LEU  10          3HD2      LEU  10   1.410  -0.595  -1.473
   78   3HD2  LEU  10          1HD2      LEU  10   2.923   0.333  -1.461
   79    H    GLY  11           HN       GLY  11   5.651   0.979   3.202
   80   1HA   GLY  11          1HA       GLY  11   7.282   0.508   4.859
   81   2HA   GLY  11          2HA       GLY  11   6.595  -1.109   5.097
   82    H    VAL  12           HN       VAL  12   8.369   0.986   2.816
   83    HA   VAL  12           HA       VAL  12   9.815  -1.244   1.657
   84    HB   VAL  12           HB       VAL  12   7.681  -1.524   0.594
   85   1HG1  VAL  12          1HG1      VAL  12   6.682   0.712   0.832
   86   2HG1  VAL  12          2HG1      VAL  12   7.849   1.364  -0.349
   87   3HG1  VAL  12          3HG1      VAL  12   6.648   0.161  -0.837
   88   1HG2  VAL  12          2HG2      VAL  12   9.650  -1.917  -0.767
   89   2HG2  VAL  12          3HG2      VAL  12   8.230  -1.421  -1.716
   90   3HG2  VAL  12          1HG2      VAL  12   9.522  -0.245  -1.380
   91    H    SER  13           HN       SER  13  11.388  -0.484   0.149
   92    HA   SER  13           HA       SER  13  12.578   2.025   0.958
   93   1HB   SER  13          2HB       SER  13  13.766  -0.084   0.045
   94   2HB   SER  13          3HB       SER  13  13.276   0.473  -1.569
   95    HG   SER  13           HG       SER  13  14.790   1.908   0.382
   96    H    LYS  14           HN       LYS  14  12.523   4.047  -0.168
   97    HA   LYS  14           HA       LYS  14  10.005   4.407  -1.479
   98   1HB   LYS  14          2HB       LYS  14  12.228   6.383  -0.874
   99   2HB   LYS  14          3HB       LYS  14  10.652   6.818  -1.560
  100   1HG   LYS  14          2HG       LYS  14   9.485   5.849   0.354
  101   2HG   LYS  14          3HG       LYS  14  10.992   5.280   1.061
  102   1HD   LYS  14          2HD       LYS  14  10.166   7.239   2.178
  103   2HD   LYS  14          3HD       LYS  14  11.753   7.531   1.457
  104   1HE   LYS  14          2HE       LYS  14  10.930   9.062  -0.097
  105   2HE   LYS  14          3HE       LYS  14   9.310   8.343  -0.141
  106   1HZ   LYS  14          1HZ       LYS  14  10.272   9.655   2.277
  107   2HZ   LYS  14          2HZ       LYS  14   9.608  10.558   1.132
  108   3HZ   LYS  14          3HZ       LYS  14   8.734   9.337   1.859
  109    H    THR  15           HN       THR  15  12.606   3.124  -2.888
  110    HA   THR  15           HA       THR  15  12.017   4.267  -5.549
  111    HB   THR  15           HB       THR  15  14.058   4.983  -4.958
  112    HG1  THR  15          1HG       THR  15  15.047   4.334  -6.797
  113   1HG2  THR  15          2HG2      THR  15  14.541   2.050  -4.651
  114   2HG2  THR  15          3HG2      THR  15  15.801   3.333  -4.799
  115   3HG2  THR  15          1HG2      THR  15  14.654   3.345  -3.407
  116    H    ALA  16           HN       ALA  16  10.354   2.257  -4.200
  117    HA   ALA  16           HA       ALA  16  10.881  -0.138  -5.731
  118   1HB   ALA  16          3HB       ALA  16   8.835   0.533  -3.615
  119   2HB   ALA  16          1HB       ALA  16   8.941  -1.030  -4.455
  120   3HB   ALA  16          2HB       ALA  16  10.301  -0.478  -3.459
  121    H    GLU  17           HN       GLU  17   9.803  -0.570  -7.630
  122    HA   GLU  17           HA       GLU  17   7.540   1.102  -8.523
  123   1HB   GLU  17          2HB       GLU  17   9.545  -0.419  -9.869
  124   2HB   GLU  17          3HB       GLU  17   8.071  -1.366 -10.024
  125   1HG   GLU  17          2HG       GLU  17   6.909   0.775 -10.770
  126   2HG   GLU  17          3HG       GLU  17   8.508   1.537 -10.821
  127    H    GLU  18           HN       GLU  18   5.601  -0.083  -9.205
  128    HA   GLU  18           HA       GLU  18   4.152  -0.980  -7.209
  129   1HB   GLU  18          2HB       GLU  18   3.552  -1.967  -9.971
  130   2HB   GLU  18          3HB       GLU  18   2.467  -1.593  -8.632
  131   1HG   GLU  18          2HG       GLU  18   3.998   0.345 -10.401
  132   2HG   GLU  18          3HG       GLU  18   2.310   0.331  -9.864
  133    H    ARG  19           HN       ARG  19   5.975  -3.056  -9.385
  134    HA   ARG  19           HA       ARG  19   5.037  -5.603  -8.650
  135   1HB   ARG  19          2HB       ARG  19   6.386  -5.200 -10.599
  136   2HB   ARG  19          3HB       ARG  19   7.734  -4.593  -9.606
  137   1HG   ARG  19          2HG       ARG  19   8.209  -6.747  -8.719
  138   2HG   ARG  19          3HG       ARG  19   6.661  -7.402  -9.273
  139   1HD   ARG  19          2HD       ARG  19   8.782  -8.004 -10.536
  140   2HD   ARG  19          3HD       ARG  19   7.336  -7.561 -11.490
  141    HE   ARG  19           HE       ARG  19   8.517  -5.166 -11.482
  142   1HH1  ARG  19          2HH2      ARG  19   9.893  -8.334 -12.224
  143   2HH1  ARG  19          1HH2      ARG  19  11.490  -7.666 -12.495
  144   1HH2  ARG  19          2HH1      ARG  19  10.191  -4.335 -12.595
  145   2HH2  ARG  19          1HH1      ARG  19  11.394  -5.360 -13.394
  146    H    GLU  20           HN       GLU  20   7.764  -3.701  -7.267
  147    HA   GLU  20           HA       GLU  20   8.391  -5.774  -5.292
  148   1HB   GLU  20          2HB       GLU  20  10.146  -4.397  -6.330
  149   2HB   GLU  20          3HB       GLU  20   9.403  -2.924  -5.704
  150   1HG   GLU  20          2HG       GLU  20  11.338  -3.567  -4.358
  151   2HG   GLU  20          3HG       GLU  20   9.868  -3.684  -3.379
  152    H    ILE  21           HN       ILE  21   6.669  -2.682  -5.534
  153    HA   ILE  21           HA       ILE  21   6.008  -2.207  -2.832
  154    HB   ILE  21           HB       ILE  21   4.878  -1.775  -5.543
  155   1HG1  ILE  21          2HG1      ILE  21   6.648  -0.332  -4.445
  156   2HG1  ILE  21          3HG1      ILE  21   5.310   0.483  -5.269
  157   1HG2  ILE  21          1HG2      ILE  21   3.122  -1.203  -3.222
  158   2HG2  ILE  21          2HG2      ILE  21   2.966  -0.486  -4.837
  159   3HG2  ILE  21          3HG2      ILE  21   2.819  -2.240  -4.613
  160   1HD1  ILE  21          1HD1      ILE  21   5.134  -0.168  -2.322
  161   2HD1  ILE  21          2HD1      ILE  21   5.905   1.338  -2.911
  162   3HD1  ILE  21          3HD1      ILE  21   4.204   0.987  -3.273
  163    H    ARG  22           HN       ARG  22   4.541  -4.407  -5.253
  164    HA   ARG  22           HA       ARG  22   2.478  -5.315  -3.574
  165   1HB   ARG  22          2HB       ARG  22   3.425  -5.862  -6.210
  166   2HB   ARG  22          3HB       ARG  22   3.369  -7.422  -5.390
  167   1HG   ARG  22          2HG       ARG  22   1.041  -7.102  -4.777
  168   2HG   ARG  22          3HG       ARG  22   1.100  -5.409  -5.291
  169   1HD   ARG  22          2HD       ARG  22   1.657  -6.124  -7.604
  170   2HD   ARG  22          3HD       ARG  22   1.333  -7.800  -7.165
  171    HE   ARG  22           HE       ARG  22  -0.492  -5.539  -7.568
  172   1HH1  ARG  22          2HH2      ARG  22  -0.388  -8.621  -5.692
  173   2HH1  ARG  22          1HH2      ARG  22  -2.079  -8.918  -6.014
  174   1HH2  ARG  22          2HH1      ARG  22  -2.770  -6.244  -8.078
  175   2HH2  ARG  22          1HH1      ARG  22  -3.330  -7.650  -7.202
  176    H    LYS  23           HN       LYS  23   5.908  -6.252  -3.572
  177    HA   LYS  23           HA       LYS  23   5.572  -8.571  -2.055
  178   1HB   LYS  23          2HB       LYS  23   8.000  -6.730  -2.174
  179   2HB   LYS  23          3HB       LYS  23   7.972  -8.375  -1.574
  180   1HG   LYS  23          2HG       LYS  23   7.403  -7.545  -4.454
  181   2HG   LYS  23          3HG       LYS  23   8.898  -8.250  -3.824
  182   1HD   LYS  23          2HD       LYS  23   7.536 -10.255  -3.085
  183   2HD   LYS  23          3HD       LYS  23   6.138  -9.536  -3.935
  184   1HE   LYS  23          2HE       LYS  23   7.498  -9.543  -6.054
  185   2HE   LYS  23          3HE       LYS  23   8.758 -10.442  -5.194
  186   1HZ   LYS  23          3HZ       LYS  23   5.979 -11.348  -5.555
  187   2HZ   LYS  23          1HZ       LYS  23   7.283 -11.894  -6.393
  188   3HZ   LYS  23          2HZ       LYS  23   7.140 -12.183  -4.772
  189    H    ALA  24           HN       ALA  24   6.138  -5.146  -1.256
  190    HA   ALA  24           HA       ALA  24   6.121  -5.336   1.578
  191   1HB   ALA  24          1HB       ALA  24   6.569  -3.309  -0.006
  192   2HB   ALA  24          2HB       ALA  24   4.820  -3.045   0.066
  193   3HB   ALA  24          3HB       ALA  24   5.765  -3.019   1.554
  194    H    TYR  25           HN       TYR  25   3.464  -4.750  -0.746
  195    HA   TYR  25           HA       TYR  25   1.335  -4.789   1.025
  196   1HB   TYR  25          2HB       TYR  25   1.464  -4.440  -1.573
  197   2HB   TYR  25          3HB       TYR  25   1.034  -6.147  -1.662
  198    HD1  TYR  25           HD2      TYR  25  -1.059  -6.753   0.082
  199    HD2  TYR  25           HD1      TYR  25  -0.258  -2.914  -1.722
  200    HE1  TYR  25           HE2      TYR  25  -3.245  -5.937   0.827
  201    HE2  TYR  25           HE1      TYR  25  -2.571  -2.216  -1.210
  202    HH   TYR  25           HH       TYR  25  -4.874  -4.229   0.619
  203    H    LYS  26           HN       LYS  26   2.827  -7.663  -0.583
  204    HA   LYS  26           HA       LYS  26   1.087  -9.550   0.462
  205   1HB   LYS  26          2HB       LYS  26   2.711  -9.981  -1.370
  206   2HB   LYS  26          3HB       LYS  26   4.034  -9.902  -0.209
  207   1HG   LYS  26          2HG       LYS  26   3.591 -12.181  -0.654
  208   2HG   LYS  26          3HG       LYS  26   3.090 -11.897   0.999
  209   1HD   LYS  26          2HD       LYS  26   0.855 -11.474  -0.933
  210   2HD   LYS  26          3HD       LYS  26   1.648 -13.011  -1.170
  211   1HE   LYS  26          2HE       LYS  26  -0.146 -13.450   0.311
  212   2HE   LYS  26          3HE       LYS  26   1.314 -13.554   1.301
  213   1HZ   LYS  26          3HZ       LYS  26  -0.583 -11.303   1.075
  214   2HZ   LYS  26          1HZ       LYS  26  -0.579 -12.399   2.277
  215   3HZ   LYS  26          2HZ       LYS  26   0.692 -11.341   2.154
  216    H    ARG  27           HN       ARG  27   4.194  -8.367   1.741
  217    HA   ARG  27           HA       ARG  27   4.462  -9.878   4.112
  218   1HB   ARG  27          2HB       ARG  27   5.410  -7.264   3.047
  219   2HB   ARG  27          3HB       ARG  27   5.187  -7.208   4.777
  220   1HG   ARG  27          2HG       ARG  27   6.665  -9.626   3.996
  221   2HG   ARG  27          3HG       ARG  27   7.366  -8.147   3.325
  222   1HD   ARG  27          2HD       ARG  27   8.396  -8.499   5.419
  223   2HD   ARG  27          3HD       ARG  27   7.341  -7.104   5.587
  224    HE   ARG  27           HE       ARG  27   5.873  -9.449   6.365
  225   1HH1  ARG  27          2HH2      ARG  27   8.612  -7.524   7.493
  226   2HH1  ARG  27          1HH2      ARG  27   8.432  -7.943   9.165
  227   1HH2  ARG  27          2HH1      ARG  27   5.601 -10.067   8.450
  228   2HH2  ARG  27          1HH1      ARG  27   6.613  -9.456   9.754
  229    H    LEU  28           HN       LEU  28   2.884  -6.748   3.588
  230    HA   LEU  28           HA       LEU  28   1.928  -6.405   6.195
  231   1HB   LEU  28          2HB       LEU  28   1.372  -5.282   3.463
  232   2HB   LEU  28          3HB       LEU  28   0.145  -4.984   4.675
  233    HG   LEU  28           HG       LEU  28   3.096  -4.492   5.249
  234   1HD1  LEU  28          2HD1      LEU  28   1.042  -2.534   4.151
  235   2HD1  LEU  28          3HD1      LEU  28   2.661  -2.167   4.751
  236   3HD1  LEU  28          1HD1      LEU  28   2.462  -3.169   3.282
  237   1HD2  LEU  28          1HD2      LEU  28   1.439  -4.552   7.204
  238   2HD2  LEU  28          2HD2      LEU  28   2.198  -2.971   6.935
  239   3HD2  LEU  28          3HD2      LEU  28   0.545  -3.265   6.389
  240    H    ALA  29           HN       ALA  29   0.138  -7.604   3.344
  241    HA   ALA  29           HA       ALA  29  -2.298  -8.044   4.618
  242   1HB   ALA  29          1HB       ALA  29  -0.978  -9.541   2.340
  243   2HB   ALA  29          2HB       ALA  29  -2.665  -9.794   2.854
  244   3HB   ALA  29          3HB       ALA  29  -2.145  -8.210   2.234
  245    H    MET  30           HN       MET  30   0.521 -10.207   4.352
  246    HA   MET  30           HA       MET  30  -0.543 -12.408   5.791
  247   1HB   MET  30          2HB       MET  30   1.455 -12.379   4.341
  248   2HB   MET  30          3HB       MET  30   2.341 -11.478   5.577
  249   1HG   MET  30          2HG       MET  30   1.917 -13.382   7.162
  250   2HG   MET  30          3HG       MET  30   1.202 -14.281   5.822
  251   1HE   MET  30          3HE       MET  30   2.582 -14.918   3.617
  252   2HE   MET  30          1HE       MET  30   3.283 -13.290   3.405
  253   3HE   MET  30          2HE       MET  30   4.329 -14.714   3.447
  254    H    LYS  31           HN       LYS  31   1.125  -9.439   6.863
  255    HA   LYS  31           HA       LYS  31   1.596 -10.067   9.555
  256   1HB   LYS  31          2HB       LYS  31   2.252  -8.037   8.046
  257   2HB   LYS  31          3HB       LYS  31   0.806  -7.271   8.691
  258   1HG   LYS  31          2HG       LYS  31   1.598  -7.622  11.010
  259   2HG   LYS  31          3HG       LYS  31   3.073  -8.374  10.409
  260   1HD   LYS  31          2HD       LYS  31   2.190  -5.490   9.832
  261   2HD   LYS  31          3HD       LYS  31   3.364  -6.001  11.057
  262   1HE   LYS  31          2HE       LYS  31   4.681  -7.123   9.161
  263   2HE   LYS  31          3HE       LYS  31   3.635  -6.264   8.016
  264   1HZ   LYS  31          2HZ       LYS  31   5.320  -4.888  10.034
  265   2HZ   LYS  31          3HZ       LYS  31   5.706  -5.158   8.439
  266   3HZ   LYS  31          1HZ       LYS  31   4.493  -4.200   8.796
  267    H    TYR  32           HN       TYR  32  -1.335  -8.858   7.962
  268    HA   TYR  32           HA       TYR  32  -2.855  -9.303  10.499
  269   1HB   TYR  32          2HB       TYR  32  -4.486  -7.780   9.550
  270   2HB   TYR  32          3HB       TYR  32  -3.022  -6.990  10.061
  271    HD1  TYR  32           HD1      TYR  32  -5.126  -7.876   7.122
  272    HD2  TYR  32           HD2      TYR  32  -1.546  -5.895   8.484
  273    HE1  TYR  32           HE1      TYR  32  -4.784  -6.953   4.893
  274    HE2  TYR  32           HE2      TYR  32  -1.308  -4.839   6.306
  275    HH   TYR  32           HH       TYR  32  -2.086  -4.788   4.065
  276    H    HIS  33           HN       HIS  33  -2.054 -11.409   8.753
  277    HA   HIS  33           HA       HIS  33  -4.848 -12.253   8.069
  278   1HB   HIS  33          2HB       HIS  33  -3.382 -12.182   6.058
  279   2HB   HIS  33          3HB       HIS  33  -2.267 -13.298   6.864
  280    HD1  HIS  33           HD1      HIS  33  -5.753 -13.172   5.272
  281    HD2  HIS  33           HD2      HIS  33  -2.872 -15.875   6.736
  282    HE1  HIS  33           HE1      HIS  33  -6.440 -15.467   4.446
  283    HA   PRO  34           HA       PRO  34  -3.838 -14.879  11.560
  284   1HB   PRO  34          2HB       PRO  34  -6.741 -14.593  12.049
  285   2HB   PRO  34          3HB       PRO  34  -5.382 -14.515  13.181
  286   1HG   PRO  34          2HG       PRO  34  -6.719 -12.227  12.331
  287   2HG   PRO  34          3HG       PRO  34  -5.011 -12.269  12.832
  288   1HD   PRO  34          2HD       PRO  34  -6.093 -12.075  10.047
  289   2HD   PRO  34          3HD       PRO  34  -4.593 -11.467  10.724
  290    H    ASP  35           HN       ASP  35  -4.848 -16.995  11.935
  291    HA   ASP  35           HA       ASP  35  -5.057 -18.453   9.449
  292   1HB   ASP  35          2HB       ASP  35  -5.592 -20.352  11.135
  293   2HB   ASP  35          3HB       ASP  35  -3.983 -19.651  11.091
  294    H    ARG  36           HN       ARG  36  -7.219 -18.179  12.255
  295    HA   ARG  36           HA       ARG  36  -9.590 -18.999  10.888
  296   1HB   ARG  36          2HB       ARG  36 -10.734 -17.557  12.737
  297   2HB   ARG  36          3HB       ARG  36  -9.935 -19.066  13.129
  298   1HG   ARG  36          2HG       ARG  36  -8.245 -18.136  14.312
  299   2HG   ARG  36          3HG       ARG  36  -8.257 -16.587  13.451
  300   1HD   ARG  36          2HD       ARG  36 -10.331 -15.923  14.502
  301   2HD   ARG  36          3HD       ARG  36 -10.499 -17.514  15.279
  302    HE   ARG  36           HE       ARG  36  -8.020 -16.431  16.094
  303   1HH1  ARG  36          2HH2      ARG  36 -11.457 -15.665  16.366
  304   2HH1  ARG  36          1HH2      ARG  36 -11.339 -15.013  17.981
  305   1HH2  ARG  36          2HH1      ARG  36  -7.848 -15.600  18.201
  306   2HH2  ARG  36          1HH1      ARG  36  -9.155 -14.657  18.910
  307    H    ASN  37           HN       ASN  37  -8.640 -15.728  11.835
  308    HA   ASN  37           HA       ASN  37  -9.368 -13.645  11.142
  309   1HB   ASN  37          2HB       ASN  37  -7.258 -13.858  10.130
  310   2HB   ASN  37          3HB       ASN  37  -7.854 -14.928   8.883
  311   1HD2  ASN  37          2HD2      ASN  37  -7.527 -11.837   7.053
  312   2HD2  ASN  37          1HD2      ASN  37  -6.827 -13.424   7.402
  313    H    GLN  38           HN       GLN  38 -11.602 -14.023  11.304
  314    HA   GLN  38           HA       GLN  38 -13.099 -14.855   8.904
  315   1HB   GLN  38          2HB       GLN  38 -15.100 -14.372  10.412
  316   2HB   GLN  38          3HB       GLN  38 -14.084 -15.749  10.790
  317   1HG   GLN  38          2HG       GLN  38 -13.673 -13.072  12.159
  318   2HG   GLN  38          3HG       GLN  38 -14.880 -14.240  12.723
  319   1HE2  GLN  38          2HE2      GLN  38 -12.469 -16.738  13.783
  320   2HE2  GLN  38          1HE2      GLN  38 -14.049 -16.537  13.066
  321    H    GLY  39           HN       GLY  39 -11.815 -13.051   7.856
  322   1HA   GLY  39          1HA       GLY  39 -11.554 -10.923   7.046
  323   2HA   GLY  39          2HA       GLY  39 -13.332 -10.835   7.033
  324    H    ASP  40           HN       ASP  40 -10.825 -11.066   9.611
  325    HA   ASP  40           HA       ASP  40 -12.544  -9.835  11.408
  326   1HB   ASP  40          2HB       ASP  40 -10.516 -11.337  11.875
  327   2HB   ASP  40          3HB       ASP  40  -9.559  -9.846  11.886
  328    H    LYS  41           HN       LYS  41 -12.196  -7.756  12.617
  329    HA   LYS  41           HA       LYS  41 -12.741  -5.802  10.626
  330   1HB   LYS  41          2HB       LYS  41 -12.130  -5.285  13.574
  331   2HB   LYS  41          3HB       LYS  41 -12.874  -4.163  12.421
  332   1HG   LYS  41          2HG       LYS  41 -14.741  -5.869  12.123
  333   2HG   LYS  41          3HG       LYS  41 -14.041  -6.737  13.520
  334   1HD   LYS  41          2HD       LYS  41 -14.088  -4.505  14.780
  335   2HD   LYS  41          3HD       LYS  41 -15.023  -3.829  13.445
  336   1HE   LYS  41          2HE       LYS  41 -15.809  -6.167  15.247
  337   2HE   LYS  41          3HE       LYS  41 -16.460  -4.528  15.340
  338   1HZ   LYS  41          1HZ       LYS  41 -16.817  -6.405  13.079
  339   2HZ   LYS  41          2HZ       LYS  41 -17.896  -6.025  14.247
  340   3HZ   LYS  41          3HZ       LYS  41 -17.494  -4.892  13.146
  341    H    GLU  42           HN       GLU  42 -10.011  -5.804  12.975
  342    HA   GLU  42           HA       GLU  42  -8.912  -3.445  11.906
  343   1HB   GLU  42          2HB       GLU  42  -6.784  -4.178  13.074
  344   2HB   GLU  42          3HB       GLU  42  -8.212  -3.996  14.090
  345   1HG   GLU  42          2HG       GLU  42  -8.496  -6.314  14.389
  346   2HG   GLU  42          3HG       GLU  42  -7.419  -6.713  13.037
  347    H    ALA  43           HN       ALA  43  -8.117  -6.846  11.114
  348    HA   ALA  43           HA       ALA  43  -6.138  -6.354   9.356
  349   1HB   ALA  43          3HB       ALA  43  -8.366  -8.475   9.300
  350   2HB   ALA  43          1HB       ALA  43  -6.939  -8.557   8.279
  351   3HB   ALA  43          2HB       ALA  43  -6.767  -8.647  10.043
  352    H    GLU  44           HN       GLU  44  -9.651  -6.408   8.687
  353    HA   GLU  44           HA       GLU  44  -9.361  -5.914   5.902
  354   1HB   GLU  44          2HB       GLU  44 -11.353  -6.858   7.106
  355   2HB   GLU  44          3HB       GLU  44 -11.741  -5.243   7.705
  356   1HG   GLU  44          2HG       GLU  44 -11.439  -5.896   4.730
  357   2HG   GLU  44          3HG       GLU  44 -12.948  -6.162   5.576
  358    H    ALA  45           HN       ALA  45  -9.866  -3.658   8.678
  359    HA   ALA  45           HA       ALA  45 -10.023  -1.377   7.085
  360   1HB   ALA  45          1HB       ALA  45 -10.764  -1.489   9.454
  361   2HB   ALA  45          2HB       ALA  45  -9.072  -1.645   9.975
  362   3HB   ALA  45          3HB       ALA  45  -9.630  -0.144   9.205
  363    H    LYS  46           HN       LYS  46  -7.269  -3.083   8.530
  364    HA   LYS  46           HA       LYS  46  -5.305  -1.108   7.956
  365   1HB   LYS  46          2HB       LYS  46  -5.152  -3.120   9.500
  366   2HB   LYS  46          3HB       LYS  46  -4.805  -4.132   8.108
  367   1HG   LYS  46          2HG       LYS  46  -2.586  -3.396   8.252
  368   2HG   LYS  46          3HG       LYS  46  -3.124  -1.742   7.975
  369   1HD   LYS  46          2HD       LYS  46  -2.020  -1.674  10.087
  370   2HD   LYS  46          3HD       LYS  46  -3.738  -1.589  10.418
  371   1HE   LYS  46          2HE       LYS  46  -3.319  -3.292  11.909
  372   2HE   LYS  46          3HE       LYS  46  -3.407  -4.331  10.482
  373   1HZ   LYS  46          2HZ       LYS  46  -0.887  -3.756  10.343
  374   2HZ   LYS  46          3HZ       LYS  46  -1.081  -3.318  11.901
  375   3HZ   LYS  46          1HZ       LYS  46  -1.403  -4.886  11.459
  376    H    PHE  47           HN       PHE  47  -6.478  -4.006   6.156
  377    HA   PHE  47           HA       PHE  47  -4.949  -3.601   3.800
  378   1HB   PHE  47          2HB       PHE  47  -6.395  -5.584   4.324
  379   2HB   PHE  47          3HB       PHE  47  -7.791  -4.629   3.936
  380    HD1  PHE  47          2HD       PHE  47  -7.998  -3.630   1.530
  381    HD2  PHE  47          1HD       PHE  47  -5.163  -6.705   2.587
  382    HE1  PHE  47          2HE       PHE  47  -7.848  -4.305  -0.833
  383    HE2  PHE  47          1HE       PHE  47  -5.168  -7.502   0.239
  384    HZ   PHE  47           HZ       PHE  47  -6.488  -6.293  -1.486
  385    H    LYS  48           HN       LYS  48  -7.850  -1.836   5.027
  386    HA   LYS  48           HA       LYS  48  -8.423  -0.702   2.493
  387   1HB   LYS  48          2HB       LYS  48  -9.157   0.319   5.259
  388   2HB   LYS  48          3HB       LYS  48  -9.557   1.171   3.797
  389   1HG   LYS  48          2HG       LYS  48 -10.673  -0.933   2.908
  390   2HG   LYS  48          3HG       LYS  48 -10.200  -1.692   4.400
  391   1HD   LYS  48          2HD       LYS  48 -12.351  -1.101   4.983
  392   2HD   LYS  48          3HD       LYS  48 -11.562   0.386   5.500
  393   1HE   LYS  48          2HE       LYS  48 -12.976  -0.168   2.831
  394   2HE   LYS  48          3HE       LYS  48 -13.588   0.834   4.149
  395   1HZ   LYS  48          2HZ       LYS  48 -11.169   1.534   2.584
  396   2HZ   LYS  48          3HZ       LYS  48 -12.699   2.088   2.336
  397   3HZ   LYS  48          1HZ       LYS  48 -11.952   2.463   3.721
  398    H    GLU  49           HN       GLU  49  -6.378   0.500   5.222
  399    HA   GLU  49           HA       GLU  49  -5.590   2.964   4.009
  400   1HB   GLU  49          2HB       GLU  49  -4.095   1.038   5.867
  401   2HB   GLU  49          3HB       GLU  49  -3.498   2.610   5.343
  402   1HG   GLU  49          2HG       GLU  49  -5.426   3.731   6.371
  403   2HG   GLU  49          3HG       GLU  49  -6.044   2.146   6.921
  404    H    ILE  50           HN       ILE  50  -4.163  -0.296   3.917
  405    HA   ILE  50           HA       ILE  50  -1.905   0.577   2.401
  406    HB   ILE  50           HB       ILE  50  -2.942  -2.219   2.892
  407   1HG1  ILE  50          2HG1      ILE  50  -0.767  -0.799   4.506
  408   2HG1  ILE  50          3HG1      ILE  50  -2.433  -0.556   4.966
  409   1HG2  ILE  50          2HG2      ILE  50  -1.049  -2.008   1.167
  410   2HG2  ILE  50          3HG2      ILE  50  -0.058  -1.311   2.450
  411   3HG2  ILE  50          1HG2      ILE  50  -0.643  -2.976   2.581
  412   1HD1  ILE  50          3HD1      ILE  50  -2.799  -2.970   5.164
  413   2HD1  ILE  50          1HD1      ILE  50  -1.094  -3.226   4.756
  414   3HD1  ILE  50          2HD1      ILE  50  -1.532  -2.361   6.245
  415    H    LYS  51           HN       LYS  51  -5.093  -0.758   1.468
  416    HA   LYS  51           HA       LYS  51  -4.613  -1.089  -1.329
  417   1HB   LYS  51          2HB       LYS  51  -6.631  -1.917  -0.153
  418   2HB   LYS  51          3HB       LYS  51  -7.087  -0.260   0.231
  419   1HG   LYS  51          2HG       LYS  51  -6.872  -0.141  -2.540
  420   2HG   LYS  51          3HG       LYS  51  -7.415  -1.803  -2.272
  421   1HD   LYS  51          2HD       LYS  51  -9.244  -0.877  -0.781
  422   2HD   LYS  51          3HD       LYS  51  -8.737   0.761  -1.222
  423   1HE   LYS  51          2HE       LYS  51  -9.765  -1.389  -3.137
  424   2HE   LYS  51          3HE       LYS  51 -10.702  -0.017  -2.532
  425   1HZ   LYS  51          1HZ       LYS  51  -9.162   1.470  -3.697
  426   2HZ   LYS  51          2HZ       LYS  51  -8.377   0.153  -4.333
  427   3HZ   LYS  51          3HZ       LYS  51  -9.925   0.427  -4.699
  428    H    GLU  52           HN       GLU  52  -5.665   1.652   0.727
  429    HA   GLU  52           HA       GLU  52  -6.266   3.476  -1.295
  430   1HB   GLU  52          2HB       GLU  52  -6.392   3.360   1.476
  431   2HB   GLU  52          3HB       GLU  52  -5.120   4.521   1.283
  432   1HG   GLU  52          2HG       GLU  52  -7.912   4.530   0.131
  433   2HG   GLU  52          3HG       GLU  52  -7.372   5.521   1.498
  434    H    ALA  53           HN       ALA  53  -3.386   3.244   0.737
  435    HA   ALA  53           HA       ALA  53  -1.653   5.052  -0.495
  436   1HB   ALA  53          3HB       ALA  53  -1.145   2.357   0.843
  437   2HB   ALA  53          1HB       ALA  53   0.133   3.523   0.442
  438   3HB   ALA  53          2HB       ALA  53  -1.127   3.949   1.612
  439    H    TYR  54           HN       TYR  54  -1.905   1.516  -1.179
  440    HA   TYR  54           HA       TYR  54  -0.071   1.507  -3.282
  441   1HB   TYR  54          2HB       TYR  54  -0.885  -0.474  -2.048
  442   2HB   TYR  54          3HB       TYR  54  -2.476  -0.280  -2.777
  443    HD1  TYR  54           HD1      TYR  54   0.697   0.055  -4.759
  444    HD2  TYR  54           HD2      TYR  54  -2.555  -2.544  -3.620
  445    HE1  TYR  54           HE1      TYR  54   1.368  -1.540  -6.481
  446    HE2  TYR  54           HE2      TYR  54  -1.808  -4.191  -5.306
  447    HH   TYR  54           HH       TYR  54   0.820  -3.477  -7.619
  448    H    GLU  55           HN       GLU  55  -3.624   2.377  -3.427
  449    HA   GLU  55           HA       GLU  55  -4.012   1.656  -6.073
  450   1HB   GLU  55          2HB       GLU  55  -5.827   1.712  -4.696
  451   2HB   GLU  55          3HB       GLU  55  -5.344   3.212  -3.910
  452   1HG   GLU  55          2HG       GLU  55  -5.956   4.572  -5.539
  453   2HG   GLU  55          3HG       GLU  55  -5.955   3.273  -6.781
  454    H    VAL  56           HN       VAL  56  -2.849   4.630  -4.498
  455    HA   VAL  56           HA       VAL  56  -2.882   6.368  -6.792
  456    HB   VAL  56           HB       VAL  56  -1.001   6.236  -4.373
  457   1HG1  VAL  56          3HG1      VAL  56  -1.538   8.542  -6.276
  458   2HG1  VAL  56          1HG1      VAL  56  -0.553   8.623  -4.804
  459   3HG1  VAL  56          2HG1      VAL  56  -0.015   7.644  -6.171
  460   1HG2  VAL  56          2HG2      VAL  56  -3.515   7.872  -4.857
  461   2HG2  VAL  56          3HG2      VAL  56  -3.366   6.522  -3.709
  462   3HG2  VAL  56          1HG2      VAL  56  -2.425   8.002  -3.463
  463    H    LEU  57           HN       LEU  57  -0.506   4.025  -5.514
  464    HA   LEU  57           HA       LEU  57   1.638   4.924  -7.226
  465   1HB   LEU  57          2HB       LEU  57   1.527   2.284  -5.763
  466   2HB   LEU  57          3HB       LEU  57   2.948   3.269  -6.175
  467    HG   LEU  57           HG       LEU  57   0.802   3.834  -4.120
  468   1HD1  LEU  57          1HD1      LEU  57   2.449   2.226  -3.422
  469   2HD1  LEU  57          2HD1      LEU  57   3.771   3.381  -3.757
  470   3HD1  LEU  57          3HD1      LEU  57   2.575   3.704  -2.485
  471   1HD2  LEU  57          3HD2      LEU  57   1.484   5.981  -5.295
  472   2HD2  LEU  57          1HD2      LEU  57   1.838   5.913  -3.598
  473   3HD2  LEU  57          2HD2      LEU  57   3.143   5.627  -4.791
  474    H    THR  58           HN       THR  58  -0.784   2.405  -7.398
  475    HA   THR  58           HA       THR  58   0.244   1.307  -9.873
  476    HB   THR  58           HB       THR  58  -1.944   0.186  -9.914
  477    HG1  THR  58          1HG       THR  58  -2.701   2.092  -8.275
  478   1HG2  THR  58          3HG2      THR  58   0.066  -0.744  -8.761
  479   2HG2  THR  58          1HG2      THR  58  -0.356   0.154  -7.305
  480   3HG2  THR  58          2HG2      THR  58  -1.403  -1.166  -7.855
  481    H    ASP  59           HN       ASP  59  -1.441   4.303  -9.212
  482    HA   ASP  59           HA       ASP  59  -2.031   4.561 -12.072
  483   1HB   ASP  59          2HB       ASP  59  -3.509   6.052 -11.565
  484   2HB   ASP  59          3HB       ASP  59  -3.515   5.391  -9.961
  485    H    SER  60           HN       SER  60  -0.905   6.416 -13.081
  486    HA   SER  60           HA       SER  60   1.932   6.527 -12.076
  487   1HB   SER  60          2HB       SER  60   1.274   5.447 -14.287
  488   2HB   SER  60          3HB       SER  60   1.048   7.099 -14.889
  489    HG   SER  60           HG       SER  60   3.377   5.870 -13.762
  490    H    GLN  61           HN       GLN  61  -0.894   8.452 -12.294
  491    HA   GLN  61           HA       GLN  61   0.434  10.905 -13.272
  492   1HB   GLN  61          2HB       GLN  61  -1.693  10.509 -14.219
  493   2HB   GLN  61          3HB       GLN  61  -2.406  10.049 -12.667
  494   1HG   GLN  61          2HG       GLN  61  -2.405  12.259 -11.847
  495   2HG   GLN  61          3HG       GLN  61  -1.301  12.814 -13.110
  496   1HE2  GLN  61          2HE2      GLN  61  -3.890  13.097 -15.622
  497   2HE2  GLN  61          1HE2      GLN  61  -2.178  12.766 -15.405
  498    H    LYS  62           HN       LYS  62  -1.553   9.868 -10.419
  499    HA   LYS  62           HA       LYS  62  -0.667  12.245  -8.903
  500   1HB   LYS  62          2HB       LYS  62  -2.140   9.736  -8.039
  501   2HB   LYS  62          3HB       LYS  62  -1.758  11.104  -6.982
  502   1HG   LYS  62          2HG       LYS  62  -3.676  12.079  -7.609
  503   2HG   LYS  62          3HG       LYS  62  -2.978  12.298  -9.223
  504   1HD   LYS  62          2HD       LYS  62  -3.808   9.985  -9.830
  505   2HD   LYS  62          3HD       LYS  62  -4.476   9.851  -8.207
  506   1HE   LYS  62          2HE       LYS  62  -6.308  10.441  -9.591
  507   2HE   LYS  62          3HE       LYS  62  -5.906  11.891  -8.660
  508   1HZ   LYS  62          1HZ       LYS  62  -5.144  11.338 -11.469
  509   2HZ   LYS  62          2HZ       LYS  62  -6.358  12.309 -11.002
  510   3HZ   LYS  62          3HZ       LYS  62  -4.808  12.758 -10.679
  511    H    ARG  63           HN       ARG  63   0.170   8.872  -9.301
  512    HA   ARG  63           HA       ARG  63   2.083   8.532  -7.227
  513   1HB   ARG  63          2HB       ARG  63   1.366   6.705  -8.529
  514   2HB   ARG  63          3HB       ARG  63   1.791   7.489 -10.039
  515   1HG   ARG  63          2HG       ARG  63   3.203   5.601  -9.524
  516   2HG   ARG  63          3HG       ARG  63   4.140   7.076  -9.726
  517   1HD   ARG  63          2HD       ARG  63   4.806   7.117  -7.499
  518   2HD   ARG  63          3HD       ARG  63   3.313   6.405  -6.918
  519    HE   ARG  63           HE       ARG  63   4.169   4.225  -8.077
  520   1HH1  ARG  63          2HH2      ARG  63   6.277   6.516  -6.260
  521   2HH1  ARG  63          1HH2      ARG  63   7.505   5.324  -6.068
  522   1HH2  ARG  63          2HH1      ARG  63   5.584   2.679  -7.479
  523   2HH2  ARG  63          1HH1      ARG  63   7.011   2.990  -6.525
  524    H    ALA  64           HN       ALA  64   2.700   9.582 -10.674
  525    HA   ALA  64           HA       ALA  64   5.406  10.226 -10.077
  526   1HB   ALA  64          2HB       ALA  64   3.556  11.221 -12.294
  527   2HB   ALA  64          3HB       ALA  64   5.312  11.429 -12.296
  528   3HB   ALA  64          1HB       ALA  64   4.630   9.797 -12.390
  529    H    ALA  65           HN       ALA  65   2.460  12.279 -10.104
  530    HA   ALA  65           HA       ALA  65   3.737  14.699  -9.658
  531   1HB   ALA  65          1HB       ALA  65   1.267  14.442 -10.019
  532   2HB   ALA  65          2HB       ALA  65   1.121  13.742  -8.396
  533   3HB   ALA  65          3HB       ALA  65   1.625  15.429  -8.582
  534    H    TYR  66           HN       TYR  66   2.713  12.251  -7.255
  535    HA   TYR  66           HA       TYR  66   3.621  13.834  -5.092
  536   1HB   TYR  66          2HB       TYR  66   1.942  11.869  -5.060
  537   2HB   TYR  66          3HB       TYR  66   3.355  10.838  -4.883
  538    HD1  TYR  66           HD1      TYR  66   4.991  11.426  -2.886
  539    HD2  TYR  66           HD2      TYR  66   1.073  13.128  -3.311
  540    HE1  TYR  66           HE1      TYR  66   5.335  12.731  -0.802
  541    HE2  TYR  66           HE2      TYR  66   1.433  14.453  -1.219
  542    HH   TYR  66           HH       TYR  66   4.429  14.248   0.655
  543    H    ASP  67           HN       ASP  67   5.118  11.088  -6.921
  544    HA   ASP  67           HA       ASP  67   7.394  10.774  -5.303
  545   1HB   ASP  67          2HB       ASP  67   6.538  10.091  -8.095
  546   2HB   ASP  67          3HB       ASP  67   8.251  10.211  -7.822
  547    H    GLN  68           HN       GLN  68   6.721  13.009  -8.066
  548    HA   GLN  68           HA       GLN  68   9.339  14.033  -8.241
  549   1HB   GLN  68          2HB       GLN  68   7.495  14.264  -9.970
  550   2HB   GLN  68          3HB       GLN  68   6.710  15.437  -8.913
  551   1HG   GLN  68          2HG       GLN  68   9.119  16.559  -8.953
  552   2HG   GLN  68          3HG       GLN  68   9.316  15.609 -10.422
  553   1HE2  GLN  68          2HE2      GLN  68   6.638  17.477 -12.140
  554   2HE2  GLN  68          1HE2      GLN  68   7.240  15.834 -11.961
  555    H    TYR  69           HN       TYR  69   6.379  15.439  -6.785
  556    HA   TYR  69           HA       TYR  69   8.146  17.307  -5.210
  557   1HB   TYR  69          2HB       TYR  69   6.512  17.894  -7.483
  558   2HB   TYR  69          3HB       TYR  69   5.729  18.617  -6.085
  559    HD1  TYR  69           HD1      TYR  69   9.296  18.167  -7.245
  560    HD2  TYR  69           HD2      TYR  69   6.231  20.917  -5.970
  561    HE1  TYR  69           HE1      TYR  69  10.870  20.071  -7.512
  562    HE2  TYR  69           HE2      TYR  69   7.810  22.790  -6.217
  563    HH   TYR  69           HH       TYR  69   9.867  23.441  -7.084
  564    H    GLY  70           HN       GLY  70   5.288  15.352  -5.027
  565   1HA   GLY  70          1HA       GLY  70   3.817  15.046  -3.336
  566   2HA   GLY  70          2HA       GLY  70   4.995  15.769  -2.240
  567    H    HIS  71           HN       HIS  71   4.658  18.287  -3.843
  568    HA   HIS  71           HA       HIS  71   2.101  19.417  -2.956
  569   1HB   HIS  71          2HB       HIS  71   4.848  20.100  -1.848
  570   2HB   HIS  71          3HB       HIS  71   3.539  21.281  -1.933
  571    HD1  HIS  71           HD1      HIS  71   1.792  21.293  -0.072
  572    HD2  HIS  71           HD2      HIS  71   4.089  17.768  -0.297
  573    HE1  HIS  71           HE1      HIS  71   1.025  19.789   1.850
  574    H    ALA  72           HN       ALA  72   2.042  19.199  -5.205
  575    HA   ALA  72           HA       ALA  72   1.318  20.468  -6.901
  576   1HB   ALA  72          3HB       ALA  72   1.620  22.278  -5.191
  577   2HB   ALA  72          1HB       ALA  72   3.140  22.708  -6.006
  578   3HB   ALA  72          2HB       ALA  72   1.598  22.777  -6.886
  579    H    ALA  73           HN       ALA  73   2.815  18.629  -7.785
  580    HA   ALA  73           HA       ALA  73   5.272  19.382  -9.121
  581   1HB   ALA  73          3HB       ALA  73   3.295  17.113  -9.540
  582   2HB   ALA  73          1HB       ALA  73   4.825  17.280 -10.423
  583   3HB   ALA  73          2HB       ALA  73   4.834  17.047  -8.671
  584    H    PHE  74           HN       PHE  74   1.967  18.766 -10.401
  585    HA   PHE  74           HA       PHE  74   2.714  19.806 -13.031
  586   1HB   PHE  74          2HB       PHE  74   0.488  18.946 -13.639
  587   2HB   PHE  74          3HB       PHE  74   1.517  17.732 -12.922
  588    HD1  PHE  74          1HD       PHE  74   1.058  16.900 -10.557
  589    HD2  PHE  74          2HD       PHE  74  -1.614  19.591 -12.617
  590    HE1  PHE  74          1HE       PHE  74  -0.629  16.636  -8.742
  591    HE2  PHE  74          2HE       PHE  74  -3.305  19.246 -10.864
  592    HZ   PHE  74           HZ       PHE  74  -2.778  17.875  -8.870
  593    H    GLU  75           HN       GLU  75   2.740  21.813 -11.005
  594    HA   GLU  75           HA       GLU  75   0.187  23.317 -11.334
  595   1HB   GLU  75          2HB       GLU  75   1.131  22.264  -9.067
  596   2HB   GLU  75          3HB       GLU  75   2.128  23.717  -9.074
  597   1HG   GLU  75          2HG       GLU  75   0.261  24.380  -7.823
  598   2HG   GLU  75          3HG       GLU  75  -0.148  24.986  -9.425
  599    H    GLN  76           HN       GLN  76   2.803  23.440 -13.076
  600    HA   GLN  76           HA       GLN  76   4.415  25.594 -12.368
  601   1HB   GLN  76          2HB       GLN  76   3.618  24.326 -15.023
  602   2HB   GLN  76          3HB       GLN  76   4.941  25.451 -14.773
  603   1HG   GLN  76          2HG       GLN  76   6.059  23.864 -13.239
  604   2HG   GLN  76          3HG       GLN  76   4.724  22.720 -13.450
  605   1HE2  GLN  76          2HE2      GLN  76   6.891  21.325 -15.903
  606   2HE2  GLN  76          1HE2      GLN  76   6.628  21.302 -14.152
   
  No H/Q in entry =         606
  Start of MODEL   12
    1   1H    ALA   2          1HN       ALA   2  -0.631  12.762   8.712
    2   2H    ALA   2          2HN       ALA   2   0.581  11.920   9.378
    3   3H    ALA   2          3HN       ALA   2  -0.614  12.433  10.350
    4    HA   ALA   2           HA       ALA   2  -0.013  14.736   9.947
    5   1HB   ALA   2          3HB       ALA   2   2.294  12.989  10.882
    6   2HB   ALA   2          1HB       ALA   2   2.228  14.752  11.057
    7   3HB   ALA   2          2HB       ALA   2   1.027  13.748  11.882
    8    H    LYS   3           HN       LYS   3   2.007  12.355   8.193
    9    HA   LYS   3           HA       LYS   3   2.305  14.333   6.023
   10   1HB   LYS   3          2HB       LYS   3   4.470  12.617   7.252
   11   2HB   LYS   3          3HB       LYS   3   4.586  13.197   5.587
   12   1HG   LYS   3          2HG       LYS   3   4.502  15.503   6.257
   13   2HG   LYS   3          3HG       LYS   3   4.189  15.097   7.945
   14   1HD   LYS   3          2HD       LYS   3   6.769  14.482   6.422
   15   2HD   LYS   3          3HD       LYS   3   6.499  15.799   7.559
   16   1HE   LYS   3          2HE       LYS   3   7.360  14.362   9.096
   17   2HE   LYS   3          3HE       LYS   3   5.711  13.754   9.180
   18   1HZ   LYS   3          1HZ       LYS   3   7.898  12.615   7.536
   19   2HZ   LYS   3          2HZ       LYS   3   7.346  12.030   8.961
   20   3HZ   LYS   3          3HZ       LYS   3   6.398  11.971   7.644
   21    H    GLN   4           HN       GLN   4   2.032  13.283   4.065
   22    HA   GLN   4           HA       GLN   4   0.507  10.779   4.210
   23   1HB   GLN   4          2HB       GLN   4   0.898  13.031   2.362
   24   2HB   GLN   4          3HB       GLN   4   0.964  11.518   1.523
   25   1HG   GLN   4          2HG       GLN   4  -1.265  12.362   3.426
   26   2HG   GLN   4          3HG       GLN   4  -1.358  12.498   1.660
   27   1HE2  GLN   4          2HE2      GLN   4  -3.088   9.327   2.543
   28   2HE2  GLN   4          1HE2      GLN   4  -3.318  11.045   2.898
   29    H    ASP   5           HN       ASP   5   1.524   8.966   4.149
   30    HA   ASP   5           HA       ASP   5   4.204   8.626   2.890
   31   1HB   ASP   5          2HB       ASP   5   4.373   9.397   5.292
   32   2HB   ASP   5          3HB       ASP   5   3.697   7.835   5.777
   33    H    TYR   6           HN       TYR   6   2.380   7.653   1.576
   34    HA   TYR   6           HA       TYR   6   1.221   5.155   2.183
   35   1HB   TYR   6          2HB       TYR   6   2.200   6.393  -0.394
   36   2HB   TYR   6          3HB       TYR   6   1.361   4.864  -0.361
   37    HD1  TYR   6           HD1      TYR   6  -0.763   5.749   1.919
   38    HD2  TYR   6           HD2      TYR   6   0.528   7.331  -1.890
   39    HE1  TYR   6           HE1      TYR   6  -2.827   7.033   1.753
   40    HE2  TYR   6           HE2      TYR   6  -1.506   8.727  -1.962
   41    HH   TYR   6           HH       TYR   6  -3.526   9.127  -1.045
   42    H    TYR   7           HN       TYR   7   4.570   5.937   1.559
   43    HA   TYR   7           HA       TYR   7   5.349   3.297   0.746
   44   1HB   TYR   7          2HB       TYR   7   7.184   5.272   2.099
   45   2HB   TYR   7          3HB       TYR   7   7.509   4.033   0.885
   46    HD1  TYR   7           HD2      TYR   7   6.717   4.378  -1.505
   47    HD2  TYR   7           HD1      TYR   7   6.563   7.500   1.467
   48    HE1  TYR   7           HE2      TYR   7   6.388   6.068  -3.289
   49    HE2  TYR   7           HE1      TYR   7   6.191   9.175  -0.313
   50    HH   TYR   7           HH       TYR   7   6.085   9.556  -2.593
   51    H    GLU   8           HN       GLU   8   5.574   5.061   3.975
   52    HA   GLU   8           HA       GLU   8   6.605   2.727   5.219
   53   1HB   GLU   8          2HB       GLU   8   6.407   5.384   5.967
   54   2HB   GLU   8          3HB       GLU   8   5.117   4.672   6.934
   55   1HG   GLU   8          2HG       GLU   8   6.867   2.810   7.389
   56   2HG   GLU   8          3HG       GLU   8   8.089   3.988   6.909
   57    H    ILE   9           HN       ILE   9   3.382   4.022   4.663
   58    HA   ILE   9           HA       ILE   9   1.873   2.385   6.316
   59    HB   ILE   9           HB       ILE   9   1.460   3.760   3.727
   60   1HG1  ILE   9          2HG1      ILE   9  -0.132   3.867   6.314
   61   2HG1  ILE   9          3HG1      ILE   9   1.375   4.763   6.085
   62   1HG2  ILE   9          3HG2      ILE   9  -0.558   1.790   4.819
   63   2HG2  ILE   9          1HG2      ILE   9  -0.896   3.053   3.596
   64   3HG2  ILE   9          2HG2      ILE   9   0.225   1.756   3.225
   65   1HD1  ILE   9          3HD1      ILE   9   0.424   5.983   4.185
   66   2HD1  ILE   9          1HD1      ILE   9  -1.128   5.142   4.405
   67   3HD1  ILE   9          2HD1      ILE   9  -0.502   6.217   5.669
   68    H    LEU  10           HN       LEU  10   3.382   1.490   3.126
   69    HA   LEU  10           HA       LEU  10   2.373  -1.252   3.458
   70   1HB   LEU  10          2HB       LEU  10   4.377   0.075   1.581
   71   2HB   LEU  10          3HB       LEU  10   4.284  -1.667   1.775
   72    HG   LEU  10           HG       LEU  10   1.684  -1.337   1.385
   73   1HD1  LEU  10          3HD1      LEU  10   2.901   1.084   0.000
   74   2HD1  LEU  10          1HD1      LEU  10   1.271   0.435  -0.285
   75   3HD1  LEU  10          2HD1      LEU  10   1.696   1.079   1.314
   76   1HD2  LEU  10          1HD2      LEU  10   3.805  -1.324  -0.747
   77   2HD2  LEU  10          2HD2      LEU  10   2.940  -2.719  -0.042
   78   3HD2  LEU  10          3HD2      LEU  10   2.067  -1.582  -1.072
   79    H    GLY  11           HN       GLY  11   5.455   0.502   3.931
   80   1HA   GLY  11          1HA       GLY  11   6.904   0.231   5.783
   81   2HA   GLY  11          2HA       GLY  11   6.052  -1.245   6.260
   82    H    VAL  12           HN       VAL  12   7.915   0.229   3.678
   83    HA   VAL  12           HA       VAL  12   9.299  -2.268   2.946
   84    HB   VAL  12           HB       VAL  12   7.351  -2.125   1.604
   85   1HG1  VAL  12          3HG1      VAL  12   7.056   0.408   1.621
   86   2HG1  VAL  12          1HG1      VAL  12   8.268   0.454   0.316
   87   3HG1  VAL  12          2HG1      VAL  12   6.740  -0.440   0.118
   88   1HG2  VAL  12          1HG2      VAL  12   9.375  -3.053   0.621
   89   2HG2  VAL  12          2HG2      VAL  12   8.277  -2.339  -0.584
   90   3HG2  VAL  12          3HG2      VAL  12   9.744  -1.464  -0.107
   91    H    SER  13           HN       SER  13  11.174  -1.504   1.401
   92    HA   SER  13           HA       SER  13  12.595   0.116   3.282
   93   1HB   SER  13          2HB       SER  13  13.251  -1.851   1.355
   94   2HB   SER  13          3HB       SER  13  14.100  -0.405   0.842
   95    HG   SER  13           HG       SER  13  15.279  -1.600   2.403
   96    H    LYS  14           HN       LYS  14  11.852   2.238   3.358
   97    HA   LYS  14           HA       LYS  14  11.414   4.296   2.852
   98   1HB   LYS  14          2HB       LYS  14  13.902   4.027   1.116
   99   2HB   LYS  14          3HB       LYS  14  12.960   5.510   1.237
  100   1HG   LYS  14          2HG       LYS  14  14.606   5.849   2.803
  101   2HG   LYS  14          3HG       LYS  14  13.170   5.470   3.734
  102   1HD   LYS  14          2HD       LYS  14  15.056   4.391   4.726
  103   2HD   LYS  14          3HD       LYS  14  14.038   3.122   4.061
  104   1HE   LYS  14          2HE       LYS  14  15.567   2.866   2.127
  105   2HE   LYS  14          3HE       LYS  14  16.442   4.337   2.603
  106   1HZ   LYS  14          1HZ       LYS  14  16.347   1.864   4.202
  107   2HZ   LYS  14          2HZ       LYS  14  17.633   2.354   3.273
  108   3HZ   LYS  14          3HZ       LYS  14  17.154   3.217   4.581
  109    H    THR  15           HN       THR  15  12.391   4.229  -0.456
  110    HA   THR  15           HA       THR  15   9.524   4.464  -1.197
  111    HB   THR  15           HB       THR  15  10.610   6.308  -2.622
  112    HG1  THR  15          1HG       THR  15  12.761   6.883  -1.693
  113   1HG2  THR  15          1HG2      THR  15   9.500   6.642  -0.344
  114   2HG2  THR  15          2HG2      THR  15  11.077   6.473   0.424
  115   3HG2  THR  15          3HG2      THR  15  10.793   7.817  -0.677
  116    H    ALA  16           HN       ALA  16  10.939   2.021  -1.267
  117    HA   ALA  16           HA       ALA  16  12.320   1.354  -3.525
  118   1HB   ALA  16          1HB       ALA  16  11.901  -0.117  -1.531
  119   2HB   ALA  16          2HB       ALA  16  10.268  -0.435  -2.165
  120   3HB   ALA  16          3HB       ALA  16  11.706  -0.950  -3.080
  121    H    GLU  17           HN       GLU  17  11.845   0.195  -5.441
  122    HA   GLU  17           HA       GLU  17   9.932   1.447  -7.057
  123   1HB   GLU  17          2HB       GLU  17  12.235   0.369  -7.545
  124   2HB   GLU  17          3HB       GLU  17  11.425  -1.184  -7.510
  125   1HG   GLU  17          2HG       GLU  17  10.152   0.827  -9.307
  126   2HG   GLU  17          3HG       GLU  17  11.840   0.474  -9.699
  127    H    GLU  18           HN       GLU  18   8.264   0.360  -8.385
  128    HA   GLU  18           HA       GLU  18   6.181  -0.570  -6.872
  129   1HB   GLU  18          2HB       GLU  18   6.755  -1.098  -9.825
  130   2HB   GLU  18          3HB       GLU  18   5.183  -1.279  -9.061
  131   1HG   GLU  18          2HG       GLU  18   4.931   1.072  -8.722
  132   2HG   GLU  18          3HG       GLU  18   6.636   1.386  -9.087
  133    H    ARG  19           HN       ARG  19   8.598  -2.365  -8.768
  134    HA   ARG  19           HA       ARG  19   7.670  -4.962  -8.621
  135   1HB   ARG  19          2HB       ARG  19   9.758  -4.053  -9.798
  136   2HB   ARG  19          3HB       ARG  19  10.550  -4.061  -8.212
  137   1HG   ARG  19          2HG       ARG  19  11.220  -6.055  -9.271
  138   2HG   ARG  19          3HG       ARG  19  10.008  -6.543  -8.096
  139   1HD   ARG  19          2HD       ARG  19   8.966  -7.621  -9.866
  140   2HD   ARG  19          3HD       ARG  19   8.452  -6.029 -10.357
  141    HE   ARG  19           HE       ARG  19  10.204  -5.825 -11.928
  142   1HH1  ARG  19          2HH2      ARG  19  10.446  -8.916 -10.243
  143   2HH1  ARG  19          1HH2      ARG  19  11.476  -9.649 -11.431
  144   1HH2  ARG  19          2HH1      ARG  19  11.492  -6.755 -13.540
  145   2HH2  ARG  19          1HH1      ARG  19  12.079  -8.370 -13.387
  146    H    GLU  20           HN       GLU  20   9.242  -3.097  -6.054
  147    HA   GLU  20           HA       GLU  20   9.370  -5.399  -4.249
  148   1HB   GLU  20          2HB       GLU  20  11.254  -3.831  -4.384
  149   2HB   GLU  20          3HB       GLU  20  10.188  -2.522  -3.850
  150   1HG   GLU  20          2HG       GLU  20  11.505  -3.262  -1.968
  151   2HG   GLU  20          3HG       GLU  20   9.829  -3.746  -1.696
  152    H    ILE  21           HN       ILE  21   7.572  -2.329  -4.755
  153    HA   ILE  21           HA       ILE  21   5.878  -2.418  -2.476
  154    HB   ILE  21           HB       ILE  21   5.278  -1.597  -5.329
  155   1HG1  ILE  21          2HG1      ILE  21   7.065  -0.205  -4.375
  156   2HG1  ILE  21          3HG1      ILE  21   5.592   0.730  -4.571
  157   1HG2  ILE  21          2HG2      ILE  21   3.551  -1.128  -2.934
  158   2HG2  ILE  21          3HG2      ILE  21   3.460  -0.167  -4.422
  159   3HG2  ILE  21          1HG2      ILE  21   3.182  -1.901  -4.486
  160   1HD1  ILE  21          1HD1      ILE  21   5.109   0.291  -2.093
  161   2HD1  ILE  21          2HD1      ILE  21   6.733  -0.444  -2.027
  162   3HD1  ILE  21          3HD1      ILE  21   6.551   1.269  -2.431
  163    H    ARG  22           HN       ARG  22   5.720  -4.236  -5.509
  164    HA   ARG  22           HA       ARG  22   3.328  -5.644  -5.110
  165   1HB   ARG  22          2HB       ARG  22   5.480  -5.742  -6.944
  166   2HB   ARG  22          3HB       ARG  22   5.559  -7.298  -6.139
  167   1HG   ARG  22          2HG       ARG  22   4.141  -7.741  -7.893
  168   2HG   ARG  22          3HG       ARG  22   2.973  -7.409  -6.609
  169   1HD   ARG  22          2HD       ARG  22   3.047  -4.924  -7.454
  170   2HD   ARG  22          3HD       ARG  22   3.922  -5.523  -8.845
  171    HE   ARG  22           HE       ARG  22   1.116  -5.546  -8.494
  172   1HH1  ARG  22          2HH2      ARG  22   3.684  -7.562  -9.999
  173   2HH1  ARG  22          1HH2      ARG  22   2.475  -8.410 -10.955
  174   1HH2  ARG  22          2HH1      ARG  22  -0.303  -6.720  -9.721
  175   2HH2  ARG  22          1HH1      ARG  22   0.302  -7.974 -10.803
  176    H    LYS  23           HN       LYS  23   6.621  -6.396  -3.946
  177    HA   LYS  23           HA       LYS  23   5.995  -8.822  -2.725
  178   1HB   LYS  23          2HB       LYS  23   8.233  -6.950  -1.877
  179   2HB   LYS  23          3HB       LYS  23   8.146  -8.691  -1.636
  180   1HG   LYS  23          2HG       LYS  23   8.294  -7.347  -4.359
  181   2HG   LYS  23          3HG       LYS  23   9.698  -7.879  -3.454
  182   1HD   LYS  23          2HD       LYS  23   8.960 -10.198  -3.525
  183   2HD   LYS  23          3HD       LYS  23   7.443  -9.748  -4.315
  184   1HE   LYS  23          2HE       LYS  23  10.229  -9.281  -5.492
  185   2HE   LYS  23          3HE       LYS  23   9.190 -10.658  -5.882
  186   1HZ   LYS  23          2HZ       LYS  23   8.449  -7.850  -6.452
  187   2HZ   LYS  23          3HZ       LYS  23   9.059  -8.952  -7.513
  188   3HZ   LYS  23          1HZ       LYS  23   7.583  -9.210  -6.818
  189    H    ALA  24           HN       ALA  24   6.337  -5.459  -1.440
  190    HA   ALA  24           HA       ALA  24   5.703  -5.995   1.236
  191   1HB   ALA  24          3HB       ALA  24   6.529  -3.837   0.444
  192   2HB   ALA  24          1HB       ALA  24   5.004  -3.534  -0.415
  193   3HB   ALA  24          2HB       ALA  24   5.012  -3.668   1.360
  194    H    TYR  25           HN       TYR  25   3.435  -5.009  -1.411
  195    HA   TYR  25           HA       TYR  25   1.082  -5.119   0.086
  196   1HB   TYR  25          2HB       TYR  25   1.297  -4.255  -2.196
  197   2HB   TYR  25          3HB       TYR  25   1.415  -5.893  -2.837
  198    HD1  TYR  25           HD2      TYR  25  -0.598  -7.424  -2.751
  199    HD2  TYR  25           HD1      TYR  25  -0.794  -3.343  -1.400
  200    HE1  TYR  25           HE2      TYR  25  -3.049  -7.635  -2.455
  201    HE2  TYR  25           HE1      TYR  25  -3.259  -3.510  -1.243
  202    HH   TYR  25           HH       TYR  25  -4.967  -6.617  -1.615
  203    H    LYS  26           HN       LYS  26   2.469  -7.804  -1.904
  204    HA   LYS  26           HA       LYS  26   0.390  -9.492  -1.159
  205   1HB   LYS  26          2HB       LYS  26   2.008  -9.615  -3.188
  206   2HB   LYS  26          3HB       LYS  26   3.049 -10.527  -2.095
  207   1HG   LYS  26          2HG       LYS  26   1.874 -12.109  -3.300
  208   2HG   LYS  26          3HG       LYS  26   1.052 -12.126  -1.743
  209   1HD   LYS  26          2HD       LYS  26   0.007 -10.510  -4.137
  210   2HD   LYS  26          3HD       LYS  26  -0.246 -12.246  -4.015
  211   1HE   LYS  26          2HE       LYS  26  -1.397 -11.902  -1.782
  212   2HE   LYS  26          3HE       LYS  26  -1.358 -10.155  -2.094
  213   1HZ   LYS  26          3HZ       LYS  26  -2.624 -10.501  -4.076
  214   2HZ   LYS  26          1HZ       LYS  26  -2.748 -12.117  -3.783
  215   3HZ   LYS  26          2HZ       LYS  26  -3.405 -11.022  -2.744
  216    H    ARG  27           HN       ARG  27   3.653  -9.086   0.197
  217    HA   ARG  27           HA       ARG  27   3.544 -11.185   2.103
  218   1HB   ARG  27          2HB       ARG  27   5.614 -10.068   1.583
  219   2HB   ARG  27          3HB       ARG  27   5.026  -8.534   2.262
  220   1HG   ARG  27          2HG       ARG  27   4.993  -9.402   4.500
  221   2HG   ARG  27          3HG       ARG  27   5.005 -11.077   3.928
  222   1HD   ARG  27          2HD       ARG  27   7.167 -10.597   4.821
  223   2HD   ARG  27          3HD       ARG  27   7.251 -10.833   3.075
  224    HE   ARG  27           HE       ARG  27   7.033  -8.043   4.086
  225   1HH1  ARG  27          2HH2      ARG  27   9.185 -10.588   2.767
  226   2HH1  ARG  27          1HH2      ARG  27  10.543  -9.775   3.461
  227   1HH2  ARG  27          2HH1      ARG  27   8.935  -6.680   3.991
  228   2HH2  ARG  27          1HH1      ARG  27  10.280  -7.248   3.041
  229    H    LEU  28           HN       LEU  28   2.542  -7.749   2.262
  230    HA   LEU  28           HA       LEU  28   1.752  -7.629   4.958
  231   1HB   LEU  28          2HB       LEU  28   0.846  -6.204   2.439
  232   2HB   LEU  28          3HB       LEU  28   0.013  -5.959   3.959
  233    HG   LEU  28           HG       LEU  28   3.014  -5.634   3.850
  234   1HD1  LEU  28          1HD1      LEU  28   1.805  -4.235   2.007
  235   2HD1  LEU  28          2HD1      LEU  28   1.141  -3.312   3.368
  236   3HD1  LEU  28          3HD1      LEU  28   2.897  -3.432   3.115
  237   1HD2  LEU  28          1HD2      LEU  28   0.760  -4.424   5.544
  238   2HD2  LEU  28          2HD2      LEU  28   1.973  -5.603   6.058
  239   3HD2  LEU  28          3HD2      LEU  28   2.450  -3.942   5.663
  240    H    ALA  29           HN       ALA  29  -0.062  -8.631   2.016
  241    HA   ALA  29           HA       ALA  29  -2.530  -8.987   3.299
  242   1HB   ALA  29          3HB       ALA  29  -2.227  -9.095   0.825
  243   2HB   ALA  29          1HB       ALA  29  -1.440 -10.680   0.996
  244   3HB   ALA  29          2HB       ALA  29  -3.139 -10.480   1.456
  245    H    MET  30           HN       MET  30   0.067 -11.482   2.773
  246    HA   MET  30           HA       MET  30  -1.320 -13.435   4.340
  247   1HB   MET  30          2HB       MET  30   0.807 -14.698   4.404
  248   2HB   MET  30          3HB       MET  30   0.226 -14.255   2.793
  249   1HG   MET  30          2HG       MET  30   1.856 -12.517   2.596
  250   2HG   MET  30          3HG       MET  30   2.383 -12.718   4.282
  251   1HE   MET  30          1HE       MET  30   2.207 -14.609   0.788
  252   2HE   MET  30          2HE       MET  30   3.262 -15.993   1.171
  253   3HE   MET  30          3HE       MET  30   1.702 -15.832   1.991
  254    H    LYS  31           HN       LYS  31   0.968 -10.902   5.250
  255    HA   LYS  31           HA       LYS  31   1.576 -11.774   7.864
  256   1HB   LYS  31          2HB       LYS  31   2.687  -9.939   6.523
  257   2HB   LYS  31          3HB       LYS  31   1.324  -8.884   6.918
  258   1HG   LYS  31          2HG       LYS  31   1.890  -9.111   9.346
  259   2HG   LYS  31          3HG       LYS  31   3.204 -10.206   8.906
  260   1HD   LYS  31          2HD       LYS  31   4.390  -8.234   9.108
  261   2HD   LYS  31          3HD       LYS  31   4.025  -8.206   7.381
  262   1HE   LYS  31          2HE       LYS  31   2.017  -6.743   7.917
  263   2HE   LYS  31          3HE       LYS  31   2.544  -6.709   9.602
  264   1HZ   LYS  31          1HZ       LYS  31   4.190  -5.638   7.355
  265   2HZ   LYS  31          2HZ       LYS  31   3.265  -4.776   8.385
  266   3HZ   LYS  31          3HZ       LYS  31   4.526  -5.568   8.981
  267    H    TYR  32           HN       TYR  32  -0.954  -9.641   6.607
  268    HA   TYR  32           HA       TYR  32  -2.283  -9.226   9.146
  269   1HB   TYR  32          2HB       TYR  32  -2.693  -8.371   6.278
  270   2HB   TYR  32          3HB       TYR  32  -4.077  -8.374   7.338
  271    HD1  TYR  32           HD2      TYR  32  -0.455  -7.381   7.811
  272    HD2  TYR  32           HD1      TYR  32  -4.609  -6.284   8.189
  273    HE1  TYR  32           HE2      TYR  32   0.147  -5.637   9.465
  274    HE2  TYR  32           HE1      TYR  32  -4.007  -4.586   9.858
  275    HH   TYR  32           HH       TYR  32  -0.681  -4.298  11.111
  276    H    HIS  33           HN       HIS  33  -2.582 -11.542   6.524
  277    HA   HIS  33           HA       HIS  33  -4.121 -13.045   5.933
  278   1HB   HIS  33          2HB       HIS  33  -2.738 -14.087   7.601
  279   2HB   HIS  33          3HB       HIS  33  -3.710 -13.389   8.869
  280    HD1  HIS  33           HD1      HIS  33  -5.406 -15.171   5.882
  281    HD2  HIS  33           HD2      HIS  33  -4.077 -15.997   9.800
  282    HE1  HIS  33           HE1      HIS  33  -6.104 -17.555   6.411
  283    HA   PRO  34           HA       PRO  34  -7.919 -10.736   7.248
  284   1HB   PRO  34          2HB       PRO  34  -8.867 -10.129   4.770
  285   2HB   PRO  34          3HB       PRO  34  -7.592  -9.168   5.568
  286   1HG   PRO  34          2HG       PRO  34  -7.248 -11.298   3.465
  287   2HG   PRO  34          3HG       PRO  34  -6.467  -9.696   3.547
  288   1HD   PRO  34          2HD       PRO  34  -5.294 -12.040   4.397
  289   2HD   PRO  34          3HD       PRO  34  -4.886 -10.491   5.156
  290    H    ASP  35           HN       ASP  35  -8.303 -12.892   8.045
  291    HA   ASP  35           HA       ASP  35 -10.154 -14.525   6.387
  292   1HB   ASP  35          2HB       ASP  35  -7.981 -15.642   6.312
  293   2HB   ASP  35          3HB       ASP  35  -7.796 -15.471   8.074
  294    H    ARG  36           HN       ARG  36 -11.644 -15.508   7.676
  295    HA   ARG  36           HA       ARG  36 -13.515 -14.830   9.051
  296   1HB   ARG  36          2HB       ARG  36 -13.200 -16.385  11.059
  297   2HB   ARG  36          3HB       ARG  36 -12.956 -17.037   9.440
  298   1HG   ARG  36          2HG       ARG  36 -10.404 -16.514   9.857
  299   2HG   ARG  36          3HG       ARG  36 -10.864 -16.464  11.533
  300   1HD   ARG  36          2HD       ARG  36 -11.221 -18.826  11.535
  301   2HD   ARG  36          3HD       ARG  36 -11.688 -18.826   9.829
  302    HE   ARG  36           HE       ARG  36  -9.521 -18.651   9.062
  303   1HH1  ARG  36          2HH2      ARG  36  -9.392 -18.522  12.642
  304   2HH1  ARG  36          1HH2      ARG  36  -7.746 -19.128  12.636
  305   1HH2  ARG  36          2HH1      ARG  36  -7.416 -18.352   9.176
  306   2HH2  ARG  36          1HH1      ARG  36  -6.530 -18.341  10.699
  307    H    ASN  37           HN       ASN  37 -12.364 -12.438   9.079
  308    HA   ASN  37           HA       ASN  37 -11.990 -11.680  11.962
  309   1HB   ASN  37          2HB       ASN  37 -10.278 -11.348   9.579
  310   2HB   ASN  37          3HB       ASN  37 -10.668  -9.828  10.314
  311   1HD2  ASN  37          2HD2      ASN  37  -7.912 -12.107  12.092
  312   2HD2  ASN  37          1HD2      ASN  37  -8.804 -12.707  10.691
  313    H    GLN  38           HN       GLN  38 -14.448 -11.902  10.814
  314    HA   GLN  38           HA       GLN  38 -15.389  -9.329   9.729
  315   1HB   GLN  38          2HB       GLN  38 -17.617 -10.528   9.796
  316   2HB   GLN  38          3HB       GLN  38 -16.391 -11.178   8.706
  317   1HG   GLN  38          2HG       GLN  38 -15.938 -13.056  10.170
  318   2HG   GLN  38          3HG       GLN  38 -16.896 -12.346  11.478
  319   1HE2  GLN  38          2HE2      GLN  38 -19.007 -13.762   8.224
  320   2HE2  GLN  38          1HE2      GLN  38 -17.518 -12.871   7.942
  321    H    GLY  39           HN       GLY  39 -14.342  -8.445  11.794
  322   1HA   GLY  39          1HA       GLY  39 -16.325  -7.572  13.632
  323   2HA   GLY  39          2HA       GLY  39 -15.463  -8.963  14.348
  324    H    ASP  40           HN       ASP  40 -12.828  -8.445  13.249
  325    HA   ASP  40           HA       ASP  40 -11.921  -6.356  14.860
  326   1HB   ASP  40          2HB       ASP  40 -10.505  -8.217  14.229
  327   2HB   ASP  40          3HB       ASP  40 -10.548  -7.725  12.531
  328    H    LYS  41           HN       LYS  41 -12.555  -4.203  14.372
  329    HA   LYS  41           HA       LYS  41 -13.273  -3.480  11.593
  330   1HB   LYS  41          2HB       LYS  41 -13.356  -2.037  14.226
  331   2HB   LYS  41          3HB       LYS  41 -13.290  -1.150  12.705
  332   1HG   LYS  41          2HG       LYS  41 -15.478  -1.286  12.907
  333   2HG   LYS  41          3HG       LYS  41 -15.263  -2.696  11.900
  334   1HD   LYS  41          2HD       LYS  41 -15.521  -4.175  13.807
  335   2HD   LYS  41          3HD       LYS  41 -15.500  -2.814  14.936
  336   1HE   LYS  41          2HE       LYS  41 -17.651  -3.329  12.828
  337   2HE   LYS  41          3HE       LYS  41 -17.796  -3.621  14.569
  338   1HZ   LYS  41          2HZ       LYS  41 -17.448  -1.210  14.901
  339   2HZ   LYS  41          3HZ       LYS  41 -17.486  -0.997  13.251
  340   3HZ   LYS  41          1HZ       LYS  41 -18.796  -1.550  14.029
  341    H    GLU  42           HN       GLU  42 -10.844  -2.285  13.948
  342    HA   GLU  42           HA       GLU  42  -9.779  -0.497  12.106
  343   1HB   GLU  42          2HB       GLU  42  -8.509  -1.629  14.608
  344   2HB   GLU  42          3HB       GLU  42  -7.758  -0.398  13.606
  345   1HG   GLU  42          2HG       GLU  42  -8.920   0.700  15.408
  346   2HG   GLU  42          3HG       GLU  42  -9.663   1.113  13.869
  347    H    ALA  43           HN       ALA  43  -8.673  -3.933  12.623
  348    HA   ALA  43           HA       ALA  43  -6.423  -3.721  11.156
  349   1HB   ALA  43          1HB       ALA  43  -6.959  -5.715  12.382
  350   2HB   ALA  43          2HB       ALA  43  -8.314  -6.074  11.274
  351   3HB   ALA  43          3HB       ALA  43  -6.636  -6.130  10.692
  352    H    GLU  44           HN       GLU  44  -9.790  -4.094  10.053
  353    HA   GLU  44           HA       GLU  44  -9.139  -4.586   7.282
  354   1HB   GLU  44          2HB       GLU  44 -11.299  -5.123   8.590
  355   2HB   GLU  44          3HB       GLU  44 -11.777  -3.450   8.289
  356   1HG   GLU  44          2HG       GLU  44 -11.681  -3.867   5.854
  357   2HG   GLU  44          3HG       GLU  44 -11.002  -5.478   6.129
  358    H    ALA  45           HN       ALA  45 -10.051  -1.688   9.216
  359    HA   ALA  45           HA       ALA  45  -9.851   0.150   7.131
  360   1HB   ALA  45          3HB       ALA  45 -10.835   0.676   9.338
  361   2HB   ALA  45          1HB       ALA  45  -9.222   0.593  10.075
  362   3HB   ALA  45          2HB       ALA  45  -9.581   1.854   8.885
  363    H    LYS  46           HN       LYS  46  -7.408  -1.370   9.121
  364    HA   LYS  46           HA       LYS  46  -5.249   0.344   8.367
  365   1HB   LYS  46          2HB       LYS  46  -5.427  -1.368  10.377
  366   2HB   LYS  46          3HB       LYS  46  -4.928  -2.580   9.199
  367   1HG   LYS  46          2HG       LYS  46  -3.083  -1.739  10.568
  368   2HG   LYS  46          3HG       LYS  46  -2.808  -1.400   8.847
  369   1HD   LYS  46          2HD       LYS  46  -3.326   0.889   9.083
  370   2HD   LYS  46          3HD       LYS  46  -4.197   0.655  10.612
  371   1HE   LYS  46          2HE       LYS  46  -2.131   0.304  11.820
  372   2HE   LYS  46          3HE       LYS  46  -1.211   0.326  10.296
  373   1HZ   LYS  46          2HZ       LYS  46  -1.909   2.589   9.970
  374   2HZ   LYS  46          3HZ       LYS  46  -2.756   2.628  11.352
  375   3HZ   LYS  46          1HZ       LYS  46  -1.115   2.478  11.403
  376    H    PHE  47           HN       PHE  47  -6.485  -2.767   7.125
  377    HA   PHE  47           HA       PHE  47  -4.675  -2.972   4.967
  378   1HB   PHE  47          2HB       PHE  47  -6.145  -4.829   5.383
  379   2HB   PHE  47          3HB       PHE  47  -7.577  -3.840   5.134
  380    HD1  PHE  47          2HD       PHE  47  -4.479  -4.990   3.328
  381    HD2  PHE  47          1HD       PHE  47  -8.569  -3.660   2.989
  382    HE1  PHE  47          2HE       PHE  47  -4.130  -4.541   0.932
  383    HE2  PHE  47          1HE       PHE  47  -8.270  -3.376   0.558
  384    HZ   PHE  47           HZ       PHE  47  -6.010  -3.662  -0.458
  385    H    LYS  48           HN       LYS  48  -7.540  -0.815   5.367
  386    HA   LYS  48           HA       LYS  48  -7.636  -0.084   2.632
  387   1HB   LYS  48          2HB       LYS  48  -8.528   1.598   4.975
  388   2HB   LYS  48          3HB       LYS  48  -8.832   1.943   3.274
  389   1HG   LYS  48          2HG       LYS  48 -10.039  -0.128   2.947
  390   2HG   LYS  48          3HG       LYS  48  -9.566  -0.699   4.535
  391   1HD   LYS  48          2HD       LYS  48 -10.852   1.452   5.423
  392   2HD   LYS  48          3HD       LYS  48 -11.557   1.470   3.795
  393   1HE   LYS  48          2HE       LYS  48 -12.146  -1.005   4.163
  394   2HE   LYS  48          3HE       LYS  48 -11.636  -0.825   5.842
  395   1HZ   LYS  48          2HZ       LYS  48 -13.433   0.843   6.095
  396   2HZ   LYS  48          3HZ       LYS  48 -13.889   0.556   4.522
  397   3HZ   LYS  48          1HZ       LYS  48 -13.936  -0.626   5.659
  398    H    GLU  49           HN       GLU  49  -5.447   0.999   5.264
  399    HA   GLU  49           HA       GLU  49  -4.370   3.233   3.846
  400   1HB   GLU  49          2HB       GLU  49  -2.912   1.340   5.786
  401   2HB   GLU  49          3HB       GLU  49  -2.435   2.933   5.217
  402   1HG   GLU  49          2HG       GLU  49  -4.562   3.814   6.294
  403   2HG   GLU  49          3HG       GLU  49  -4.510   2.290   7.234
  404    H    ILE  50           HN       ILE  50  -3.657  -0.261   3.858
  405    HA   ILE  50           HA       ILE  50  -1.388  -0.096   2.111
  406    HB   ILE  50           HB       ILE  50  -3.192  -2.501   2.499
  407   1HG1  ILE  50          2HG1      ILE  50  -0.805  -1.707   4.226
  408   2HG1  ILE  50          3HG1      ILE  50  -2.492  -1.608   4.744
  409   1HG2  ILE  50          2HG2      ILE  50  -1.456  -2.561   0.662
  410   2HG2  ILE  50          3HG2      ILE  50  -0.216  -2.244   1.870
  411   3HG2  ILE  50          1HG2      ILE  50  -1.124  -3.756   1.902
  412   1HD1  ILE  50          2HD1      ILE  50  -2.755  -4.066   4.385
  413   2HD1  ILE  50          3HD1      ILE  50  -1.035  -4.147   4.033
  414   3HD1  ILE  50          1HD1      ILE  50  -1.579  -3.642   5.636
  415    H    LYS  51           HN       LYS  51  -4.911  -0.662   1.592
  416    HA   LYS  51           HA       LYS  51  -4.857  -1.073  -1.182
  417   1HB   LYS  51          2HB       LYS  51  -6.941  -1.257   0.168
  418   2HB   LYS  51          3HB       LYS  51  -6.944   0.492   0.393
  419   1HG   LYS  51          2HG       LYS  51  -7.018   0.763  -2.134
  420   2HG   LYS  51          3HG       LYS  51  -7.242  -0.987  -2.260
  421   1HD   LYS  51          2HD       LYS  51  -9.352  -0.864  -1.120
  422   2HD   LYS  51          3HD       LYS  51  -9.065   0.785  -0.565
  423   1HE   LYS  51          2HE       LYS  51  -9.450  -0.055  -3.477
  424   2HE   LYS  51          3HE       LYS  51 -10.678   0.675  -2.439
  425   1HZ   LYS  51          3HZ       LYS  51  -9.051   2.606  -2.243
  426   2HZ   LYS  51          1HZ       LYS  51  -8.341   2.031  -3.618
  427   3HZ   LYS  51          2HZ       LYS  51  -9.884   2.427  -3.657
  428    H    GLU  52           HN       GLU  52  -5.265   2.057   0.597
  429    HA   GLU  52           HA       GLU  52  -5.494   3.601  -1.749
  430   1HB   GLU  52          2HB       GLU  52  -6.132   4.233   0.665
  431   2HB   GLU  52          3HB       GLU  52  -4.405   4.535   0.926
  432   1HG   GLU  52          2HG       GLU  52  -5.303   6.646   0.457
  433   2HG   GLU  52          3HG       GLU  52  -4.569   6.186  -1.077
  434    H    ALA  53           HN       ALA  53  -2.708   2.991   0.380
  435    HA   ALA  53           HA       ALA  53  -0.755   4.390  -1.050
  436   1HB   ALA  53          3HB       ALA  53  -0.542   1.727   0.448
  437   2HB   ALA  53          1HB       ALA  53   0.832   2.730  -0.066
  438   3HB   ALA  53          2HB       ALA  53  -0.308   3.340   1.151
  439    H    TYR  54           HN       TYR  54  -1.646   0.930  -1.438
  440    HA   TYR  54           HA       TYR  54   0.157   0.502  -3.559
  441   1HB   TYR  54          2HB       TYR  54  -1.001  -1.204  -2.142
  442   2HB   TYR  54          3HB       TYR  54  -2.472  -0.952  -3.075
  443    HD1  TYR  54           HD2      TYR  54   1.115  -1.925  -3.280
  444    HD2  TYR  54           HD1      TYR  54  -2.743  -2.169  -5.173
  445    HE1  TYR  54           HE2      TYR  54   1.923  -3.798  -4.676
  446    HE2  TYR  54           HE1      TYR  54  -1.939  -4.047  -6.558
  447    HH   TYR  54           HH       TYR  54   1.344  -5.416  -6.152
  448    H    GLU  55           HN       GLU  55  -3.257   1.740  -3.631
  449    HA   GLU  55           HA       GLU  55  -3.774   1.372  -6.337
  450   1HB   GLU  55          2HB       GLU  55  -5.578   1.642  -4.988
  451   2HB   GLU  55          3HB       GLU  55  -4.833   2.890  -4.001
  452   1HG   GLU  55          2HG       GLU  55  -5.014   4.547  -5.498
  453   2HG   GLU  55          3HG       GLU  55  -5.379   3.424  -6.857
  454    H    VAL  56           HN       VAL  56  -2.443   4.078  -4.365
  455    HA   VAL  56           HA       VAL  56  -2.002   5.792  -6.625
  456    HB   VAL  56           HB       VAL  56  -0.862   5.769  -3.811
  457   1HG1  VAL  56          2HG1      VAL  56  -0.605   7.895  -5.989
  458   2HG1  VAL  56          3HG1      VAL  56  -0.210   8.125  -4.274
  459   3HG1  VAL  56          1HG1      VAL  56   0.729   6.985  -5.244
  460   1HG2  VAL  56          1HG2      VAL  56  -3.347   6.167  -4.099
  461   2HG2  VAL  56          2HG2      VAL  56  -2.506   7.592  -3.510
  462   3HG2  VAL  56          3HG2      VAL  56  -2.962   7.501  -5.202
  463    H    LEU  57           HN       LEU  57   0.290   3.735  -4.772
  464    HA   LEU  57           HA       LEU  57   2.500   4.449  -6.356
  465   1HB   LEU  57          2HB       LEU  57   2.063   1.930  -4.693
  466   2HB   LEU  57          3HB       LEU  57   3.617   2.472  -5.345
  467    HG   LEU  57           HG       LEU  57   1.939   3.898  -3.231
  468   1HD1  LEU  57          2HD1      LEU  57   3.354   2.017  -2.464
  469   2HD1  LEU  57          3HD1      LEU  57   4.773   2.823  -3.178
  470   3HD1  LEU  57          1HD1      LEU  57   3.896   3.584  -1.834
  471   1HD2  LEU  57          3HD2      LEU  57   4.302   4.896  -4.821
  472   2HD2  LEU  57          1HD2      LEU  57   2.708   5.658  -4.600
  473   3HD2  LEU  57          2HD2      LEU  57   3.817   5.568  -3.241
  474    H    THR  58           HN       THR  58   0.289   1.712  -6.928
  475    HA   THR  58           HA       THR  58   1.944   1.036  -9.328
  476    HB   THR  58           HB       THR  58   0.425  -0.866  -9.583
  477    HG1  THR  58          1HG       THR  58  -0.527  -0.071  -7.022
  478   1HG2  THR  58          1HG2      THR  58   2.581  -1.048  -8.372
  479   2HG2  THR  58          2HG2      THR  58   1.765  -0.660  -6.843
  480   3HG2  THR  58          3HG2      THR  58   1.360  -2.155  -7.718
  481    H    ASP  59           HN       ASP  59   0.186   3.573  -8.916
  482    HA   ASP  59           HA       ASP  59  -1.223   3.347 -11.545
  483   1HB   ASP  59          2HB       ASP  59  -2.437   4.523  -9.649
  484   2HB   ASP  59          3HB       ASP  59  -1.150   5.745  -9.744
  485    H    SER  60           HN       SER  60  -0.612   5.815 -12.587
  486    HA   SER  60           HA       SER  60   2.299   6.188 -12.405
  487   1HB   SER  60          2HB       SER  60   0.879   5.453 -14.965
  488   2HB   SER  60          3HB       SER  60   2.463   6.245 -14.914
  489    HG   SER  60           HG       SER  60   2.169   4.070 -13.196
  490    H    GLN  61           HN       GLN  61  -0.930   7.443 -12.959
  491    HA   GLN  61           HA       GLN  61   0.014  10.158 -13.563
  492   1HB   GLN  61          2HB       GLN  61  -1.977   9.473 -14.641
  493   2HB   GLN  61          3HB       GLN  61  -2.673   8.767 -13.178
  494   1HG   GLN  61          2HG       GLN  61  -2.868  10.978 -12.148
  495   2HG   GLN  61          3HG       GLN  61  -2.136  11.704 -13.584
  496   1HE2  GLN  61          2HE2      GLN  61  -5.294  11.606 -15.339
  497   2HE2  GLN  61          1HE2      GLN  61  -3.583  11.993 -15.481
  498    H    LYS  62           HN       LYS  62  -2.024   8.534 -11.064
  499    HA   LYS  62           HA       LYS  62  -1.753  10.854  -9.324
  500   1HB   LYS  62          2HB       LYS  62  -2.782   9.413  -7.540
  501   2HB   LYS  62          3HB       LYS  62  -3.749   9.696  -8.989
  502   1HG   LYS  62          2HG       LYS  62  -3.263   7.467  -9.837
  503   2HG   LYS  62          3HG       LYS  62  -2.152   7.189  -8.479
  504   1HD   LYS  62          2HD       LYS  62  -4.000   6.031  -7.772
  505   2HD   LYS  62          3HD       LYS  62  -4.295   7.604  -7.002
  506   1HE   LYS  62          2HE       LYS  62  -5.795   8.188  -8.957
  507   2HE   LYS  62          3HE       LYS  62  -5.512   6.566  -9.619
  508   1HZ   LYS  62          1HZ       LYS  62  -6.592   5.672  -7.561
  509   2HZ   LYS  62          2HZ       LYS  62  -6.828   7.181  -7.039
  510   3HZ   LYS  62          3HZ       LYS  62  -7.564   6.703  -8.389
  511    H    ARG  63           HN       ARG  63  -0.009   7.893  -9.773
  512    HA   ARG  63           HA       ARG  63   1.565   7.932  -7.374
  513   1HB   ARG  63          2HB       ARG  63   2.307   6.028  -8.135
  514   2HB   ARG  63          3HB       ARG  63   1.318   6.243  -9.559
  515   1HG   ARG  63          2HG       ARG  63   3.355   5.627 -10.363
  516   2HG   ARG  63          3HG       ARG  63   3.406   7.373 -10.629
  517   1HD   ARG  63          2HD       ARG  63   4.871   7.570  -8.604
  518   2HD   ARG  63          3HD       ARG  63   4.579   5.883  -8.220
  519    HE   ARG  63           HE       ARG  63   6.030   5.127  -9.827
  520   1HH1  ARG  63          2HH2      ARG  63   6.244   8.628  -9.840
  521   2HH1  ARG  63          1HH2      ARG  63   7.081   8.681 -11.376
  522   1HH2  ARG  63          2HH1      ARG  63   7.595   5.260 -11.453
  523   2HH2  ARG  63          1HH1      ARG  63   8.001   6.837 -12.126
  524    H    ALA  64           HN       ALA  64   2.051   9.563 -10.560
  525    HA   ALA  64           HA       ALA  64   4.649  10.503  -9.774
  526   1HB   ALA  64          2HB       ALA  64   4.047  10.198 -12.147
  527   2HB   ALA  64          3HB       ALA  64   2.796  11.456 -12.006
  528   3HB   ALA  64          1HB       ALA  64   4.512  11.879 -11.823
  529    H    ALA  65           HN       ALA  65   1.370  11.960  -9.820
  530    HA   ALA  65           HA       ALA  65   2.089  14.486  -8.900
  531   1HB   ALA  65          1HB       ALA  65  -0.188  13.904  -9.660
  532   2HB   ALA  65          2HB       ALA  65  -0.420  12.877  -8.228
  533   3HB   ALA  65          3HB       ALA  65  -0.231  14.632  -8.042
  534    H    TYR  66           HN       TYR  66   1.257  11.529  -7.059
  535    HA   TYR  66           HA       TYR  66   1.583  12.672  -4.501
  536   1HB   TYR  66          2HB       TYR  66   0.327  10.587  -5.015
  537   2HB   TYR  66          3HB       TYR  66   1.854   9.758  -5.323
  538    HD1  TYR  66           HD1      TYR  66   3.424   9.290  -3.445
  539    HD2  TYR  66           HD2      TYR  66  -0.375  11.193  -2.757
  540    HE1  TYR  66           HE1      TYR  66   3.574   8.715  -1.040
  541    HE2  TYR  66           HE2      TYR  66  -0.195  10.679  -0.355
  542    HH   TYR  66           HH       TYR  66   0.829   9.231   1.130
  543    H    ASP  67           HN       ASP  67   3.907  10.864  -6.604
  544    HA   ASP  67           HA       ASP  67   6.046  10.552  -4.867
  545   1HB   ASP  67          2HB       ASP  67   5.599  10.953  -7.831
  546   2HB   ASP  67          3HB       ASP  67   7.192  11.320  -7.273
  547    H    GLN  68           HN       GLN  68   5.087  13.318  -6.868
  548    HA   GLN  68           HA       GLN  68   7.347  14.922  -6.208
  549   1HB   GLN  68          2HB       GLN  68   4.934  14.982  -7.918
  550   2HB   GLN  68          3HB       GLN  68   5.130  16.489  -7.096
  551   1HG   GLN  68          2HG       GLN  68   6.349  16.454  -9.255
  552   2HG   GLN  68          3HG       GLN  68   7.470  16.679  -7.906
  553   1HE2  GLN  68          2HE2      GLN  68   7.429  12.890  -9.635
  554   2HE2  GLN  68          1HE2      GLN  68   5.896  13.627  -9.206
  555    H    TYR  69           HN       TYR  69   3.855  15.179  -5.235
  556    HA   TYR  69           HA       TYR  69   4.620  16.038  -2.547
  557   1HB   TYR  69          2HB       TYR  69   3.635  17.967  -4.662
  558   2HB   TYR  69          3HB       TYR  69   3.150  18.128  -2.986
  559    HD1  TYR  69           HD2      TYR  69   4.896  18.225  -1.138
  560    HD2  TYR  69           HD1      TYR  69   5.869  18.748  -5.306
  561    HE1  TYR  69           HE2      TYR  69   7.072  19.213  -0.510
  562    HE2  TYR  69           HE1      TYR  69   8.059  19.699  -4.664
  563    HH   TYR  69           HH       TYR  69   9.422  20.387  -2.922
  564    H    GLY  70           HN       GLY  70   3.542  14.041  -2.298
  565   1HA   GLY  70          1HA       GLY  70   0.873  13.385  -2.571
  566   2HA   GLY  70          2HA       GLY  70   1.861  13.034  -1.153
  567    H    HIS  71           HN       HIS  71  -0.764  14.754  -2.348
  568    HA   HIS  71           HA       HIS  71  -2.206  16.296  -1.527
  569   1HB   HIS  71          2HB       HIS  71  -2.513  14.355   0.017
  570   2HB   HIS  71          3HB       HIS  71  -1.400  15.110   1.157
  571    HD1  HIS  71           HD1      HIS  71  -4.609  16.492  -0.687
  572    HD2  HIS  71           HD2      HIS  71  -2.775  16.079   3.097
  573    HE1  HIS  71           HE1      HIS  71  -6.215  17.451   1.015
  574    H    ALA  72           HN       ALA  72   0.076  17.491  -2.206
  575    HA   ALA  72           HA       ALA  72  -0.111  19.917  -0.623
  576   1HB   ALA  72          2HB       ALA  72   2.558  18.427  -0.699
  577   2HB   ALA  72          3HB       ALA  72   2.304  20.076  -0.084
  578   3HB   ALA  72          1HB       ALA  72   1.577  18.712   0.746
  579    H    ALA  73           HN       ALA  73  -0.934  19.340  -3.148
  580    HA   ALA  73           HA       ALA  73   1.078  20.588  -4.947
  581   1HB   ALA  73          2HB       ALA  73   1.111  18.136  -5.213
  582   2HB   ALA  73          3HB       ALA  73  -0.637  18.143  -5.523
  583   3HB   ALA  73          1HB       ALA  73   0.478  18.939  -6.656
  584    H    PHE  74           HN       PHE  74  -2.229  20.457  -3.854
  585    HA   PHE  74           HA       PHE  74  -2.852  22.634  -5.747
  586   1HB   PHE  74          2HB       PHE  74  -3.739  20.056  -6.264
  587   2HB   PHE  74          3HB       PHE  74  -5.110  20.720  -5.420
  588    HD1  PHE  74          1HD       PHE  74  -2.714  21.380  -8.213
  589    HD2  PHE  74          2HD       PHE  74  -6.554  22.326  -6.501
  590    HE1  PHE  74          1HE       PHE  74  -3.241  22.781 -10.168
  591    HE2  PHE  74          2HE       PHE  74  -7.139  23.602  -8.528
  592    HZ   PHE  74           HZ       PHE  74  -5.478  23.869 -10.360
  593    H    GLU  75           HN       GLU  75  -2.213  23.604  -3.747
  594    HA   GLU  75           HA       GLU  75  -4.388  23.841  -1.699
  595   1HB   GLU  75          2HB       GLU  75  -1.344  23.735  -1.595
  596   2HB   GLU  75          3HB       GLU  75  -2.252  24.413  -0.260
  597   1HG   GLU  75          2HG       GLU  75  -2.758  21.618  -1.359
  598   2HG   GLU  75          3HG       GLU  75  -1.657  21.963  -0.018
  599    H    GLN  76           HN       GLN  76  -3.710  25.354  -4.313
  600    HA   GLN  76           HA       GLN  76  -2.569  27.835  -3.387
  601   1HB   GLN  76          2HB       GLN  76  -1.827  26.488  -5.406
  602   2HB   GLN  76          3HB       GLN  76  -3.333  26.970  -6.194
  603   1HG   GLN  76          2HG       GLN  76  -1.216  28.888  -5.166
  604   2HG   GLN  76          3HG       GLN  76  -1.316  28.316  -6.834
  605   1HE2  GLN  76          2HE2      GLN  76  -4.630  29.832  -7.262
  606   2HE2  GLN  76          1HE2      GLN  76  -3.579  28.527  -7.843
   
  No H/Q in entry =         606
  Start of MODEL   13
    1   1H    ALA   2          1HN       ALA   2  11.149  17.292   3.252
    2   2H    ALA   2          2HN       ALA   2  10.961  18.381   2.035
    3   3H    ALA   2          3HN       ALA   2   9.731  18.102   3.111
    4    HA   ALA   2           HA       ALA   2   9.083  16.985   1.182
    5   1HB   ALA   2          3HB       ALA   2  11.834  15.677   1.348
    6   2HB   ALA   2          1HB       ALA   2  10.520  15.130   0.281
    7   3HB   ALA   2          2HB       ALA   2  11.219  16.728   0.057
    8    H    LYS   3           HN       LYS   3   8.287  14.656   1.188
    9    HA   LYS   3           HA       LYS   3   9.115  13.005   3.379
   10   1HB   LYS   3          2HB       LYS   3   6.572  12.698   4.065
   11   2HB   LYS   3          3HB       LYS   3   7.659  13.844   4.837
   12   1HG   LYS   3          2HG       LYS   3   5.576  14.877   4.596
   13   2HG   LYS   3          3HG       LYS   3   6.706  15.717   3.554
   14   1HD   LYS   3          2HD       LYS   3   5.713  14.617   1.560
   15   2HD   LYS   3          3HD       LYS   3   4.691  13.614   2.615
   16   1HE   LYS   3          2HE       LYS   3   3.662  15.722   3.539
   17   2HE   LYS   3          3HE       LYS   3   4.608  16.673   2.387
   18   1HZ   LYS   3          2HZ       LYS   3   2.762  14.558   1.491
   19   2HZ   LYS   3          3HZ       LYS   3   2.242  16.082   1.800
   20   3HZ   LYS   3          1HZ       LYS   3   3.367  15.824   0.633
   21    H    GLN   4           HN       GLN   4   8.959  10.925   2.789
   22    HA   GLN   4           HA       GLN   4   7.391  10.233   0.368
   23   1HB   GLN   4          2HB       GLN   4   9.571   9.195   0.630
   24   2HB   GLN   4          3HB       GLN   4   9.141   8.558   2.226
   25   1HG   GLN   4          2HG       GLN   4   7.322   7.905  -0.102
   26   2HG   GLN   4          3HG       GLN   4   8.889   7.126  -0.065
   27   1HE2  GLN   4          2HE2      GLN   4   8.133   5.017   2.701
   28   2HE2  GLN   4          1HE2      GLN   4   9.434   5.699   1.744
   29    H    ASP   5           HN       ASP   5   5.381   9.259   0.577
   30    HA   ASP   5           HA       ASP   5   4.534   8.288   3.191
   31   1HB   ASP   5          2HB       ASP   5   3.629  10.685   2.860
   32   2HB   ASP   5          3HB       ASP   5   2.681  10.032   1.512
   33    H    TYR   6           HN       TYR   6   2.636   6.955   2.846
   34    HA   TYR   6           HA       TYR   6   1.351   5.341   1.951
   35   1HB   TYR   6          2HB       TYR   6   2.215   5.924  -0.862
   36   2HB   TYR   6          3HB       TYR   6   0.669   5.358  -0.239
   37    HD1  TYR   6           HD1      TYR   6  -0.201   7.268   1.739
   38    HD2  TYR   6           HD2      TYR   6   1.893   7.937  -1.964
   39    HE1  TYR   6           HE1      TYR   6  -1.003   9.598   1.709
   40    HE2  TYR   6           HE2      TYR   6   1.078  10.282  -1.997
   41    HH   TYR   6           HH       TYR   6  -0.624  11.752   0.661
   42    H    TYR   7           HN       TYR   7   4.375   5.624   0.262
   43    HA   TYR   7           HA       TYR   7   4.861   2.807  -0.242
   44   1HB   TYR   7          2HB       TYR   7   6.483   5.306  -0.237
   45   2HB   TYR   7          3HB       TYR   7   7.369   3.812   0.052
   46    HD1  TYR   7           HD1      TYR   7   5.014   5.528  -2.290
   47    HD2  TYR   7           HD2      TYR   7   8.101   2.578  -1.819
   48    HE1  TYR   7           HE1      TYR   7   5.367   5.476  -4.758
   49    HE2  TYR   7           HE2      TYR   7   8.354   2.453  -4.266
   50    HH   TYR   7           HH       TYR   7   6.816   3.276  -6.492
   51    H    GLU   8           HN       GLU   8   5.492   4.987   2.630
   52    HA   GLU   8           HA       GLU   8   6.842   2.823   3.940
   53   1HB   GLU   8          2HB       GLU   8   6.817   5.689   4.117
   54   2HB   GLU   8          3HB       GLU   8   6.186   5.075   5.625
   55   1HG   GLU   8          2HG       GLU   8   8.015   3.468   5.738
   56   2HG   GLU   8          3HG       GLU   8   8.795   4.131   4.302
   57    H    ILE   9           HN       ILE   9   3.604   4.180   3.794
   58    HA   ILE   9           HA       ILE   9   2.563   3.140   6.153
   59    HB   ILE   9           HB       ILE   9   1.179   3.360   3.454
   60   1HG1  ILE   9          2HG1      ILE   9   1.324   5.251   5.859
   61   2HG1  ILE   9          3HG1      ILE   9   2.091   5.510   4.291
   62   1HG2  ILE   9          2HG2      ILE   9  -0.011   1.822   4.978
   63   2HG2  ILE   9          3HG2      ILE   9  -0.007   3.080   6.235
   64   3HG2  ILE   9          1HG2      ILE   9  -0.908   3.308   4.720
   65   1HD1  ILE   9          2HD1      ILE   9  -0.331   5.270   3.316
   66   2HD1  ILE   9          3HD1      ILE   9  -0.832   5.600   4.986
   67   3HD1  ILE   9          1HD1      ILE   9   0.162   6.776   4.109
   68    H    LEU  10           HN       LEU  10   3.058   1.611   2.879
   69    HA   LEU  10           HA       LEU  10   2.377  -0.991   3.919
   70   1HB   LEU  10          2HB       LEU  10   4.274  -1.200   1.764
   71   2HB   LEU  10          3HB       LEU  10   2.599  -1.729   1.837
   72    HG   LEU  10           HG       LEU  10   3.508   1.035   0.997
   73   1HD1  LEU  10          1HD1      LEU  10   4.164  -0.743  -0.543
   74   2HD1  LEU  10          2HD1      LEU  10   2.499  -1.359  -0.578
   75   3HD1  LEU  10          3HD1      LEU  10   2.857   0.255  -1.225
   76   1HD2  LEU  10          1HD2      LEU  10   1.105   1.008   1.903
   77   2HD2  LEU  10          2HD2      LEU  10   1.225   1.284   0.168
   78   3HD2  LEU  10          3HD2      LEU  10   0.759  -0.310   0.771
   79    H    GLY  11           HN       GLY  11   5.550   0.615   3.193
   80   1HA   GLY  11          1HA       GLY  11   7.278   0.778   4.818
   81   2HA   GLY  11          2HA       GLY  11   6.637  -0.606   5.693
   82    H    VAL  12           HN       VAL  12   8.412   0.532   2.998
   83    HA   VAL  12           HA       VAL  12   9.863  -1.833   2.294
   84    HB   VAL  12           HB       VAL  12   7.735  -2.459   1.307
   85   1HG1  VAL  12          1HG1      VAL  12   6.656  -0.216   1.135
   86   2HG1  VAL  12          2HG1      VAL  12   7.710   0.167  -0.242
   87   3HG1  VAL  12          3HG1      VAL  12   6.555  -1.180  -0.315
   88   1HG2  VAL  12          2HG2      VAL  12   9.785  -2.912  -0.004
   89   2HG2  VAL  12          3HG2      VAL  12   8.293  -2.787  -0.961
   90   3HG2  VAL  12          1HG2      VAL  12   9.442  -1.447  -0.970
   91    H    SER  13           HN       SER  13  11.180  -1.114   0.207
   92    HA   SER  13           HA       SER  13  12.525   1.146   1.122
   93   1HB   SER  13          2HB       SER  13  12.861  -0.917  -0.893
   94   2HB   SER  13          3HB       SER  13  13.101   0.629  -1.646
   95    HG   SER  13           HG       SER  13  15.048  -0.012  -0.697
   96    H    LYS  14           HN       LYS  14  12.609   3.267   0.436
   97    HA   LYS  14           HA       LYS  14   9.958   4.177   0.190
   98   1HB   LYS  14          2HB       LYS  14  12.508   5.838   0.099
   99   2HB   LYS  14          3HB       LYS  14  10.893   6.396   0.542
  100   1HG   LYS  14          2HG       LYS  14  11.093   4.356   2.330
  101   2HG   LYS  14          3HG       LYS  14  12.814   4.636   2.077
  102   1HD   LYS  14          2HD       LYS  14  10.754   6.606   3.151
  103   2HD   LYS  14          3HD       LYS  14  12.106   5.871   3.998
  104   1HE   LYS  14          2HE       LYS  14  13.682   7.101   2.427
  105   2HE   LYS  14          3HE       LYS  14  12.271   7.906   1.724
  106   1HZ   LYS  14          3HZ       LYS  14  11.773   8.711   4.012
  107   2HZ   LYS  14          1HZ       LYS  14  13.228   8.145   4.491
  108   3HZ   LYS  14          2HZ       LYS  14  13.161   9.324   3.359
  109    H    THR  15           HN       THR  15  12.209   3.617  -2.323
  110    HA   THR  15           HA       THR  15  10.352   4.797  -4.314
  111    HB   THR  15           HB       THR  15  12.571   5.276  -5.615
  112    HG1  THR  15          1HG       THR  15  13.553   5.375  -2.943
  113   1HG2  THR  15          1HG2      THR  15  11.120   7.072  -4.711
  114   2HG2  THR  15          2HG2      THR  15  11.951   6.963  -3.144
  115   3HG2  THR  15          3HG2      THR  15  12.835   7.465  -4.598
  116    H    ALA  16           HN       ALA  16  10.461   2.098  -3.185
  117    HA   ALA  16           HA       ALA  16  11.998   0.398  -4.832
  118   1HB   ALA  16          3HB       ALA  16  10.968  -0.279  -2.694
  119   2HB   ALA  16          1HB       ALA  16   9.352  -0.181  -3.448
  120   3HB   ALA  16          2HB       ALA  16  10.560  -1.350  -4.031
  121    H    GLU  17           HN       GLU  17  11.487  -0.777  -6.752
  122    HA   GLU  17           HA       GLU  17   9.748   0.425  -8.658
  123   1HB   GLU  17          2HB       GLU  17  11.887  -1.053  -8.866
  124   2HB   GLU  17          3HB       GLU  17  10.793  -2.441  -8.635
  125   1HG   GLU  17          2HG       GLU  17  10.440  -0.289 -10.758
  126   2HG   GLU  17          3HG       GLU  17  11.449  -1.706 -11.024
  127    H    GLU  18           HN       GLU  18   7.569  -0.111  -9.115
  128    HA   GLU  18           HA       GLU  18   6.104  -0.875  -7.080
  129   1HB   GLU  18          2HB       GLU  18   4.655  -1.306  -9.552
  130   2HB   GLU  18          3HB       GLU  18   4.237  -0.663  -7.989
  131   1HG   GLU  18          2HG       GLU  18   5.674   0.665 -10.177
  132   2HG   GLU  18          3HG       GLU  18   4.312   1.228  -9.205
  133    H    ARG  19           HN       ARG  19   7.665  -3.288  -9.151
  134    HA   ARG  19           HA       ARG  19   5.935  -5.526  -8.638
  135   1HB   ARG  19          2HB       ARG  19   7.835  -5.486 -10.276
  136   2HB   ARG  19          3HB       ARG  19   8.974  -5.498  -8.918
  137   1HG   ARG  19          2HG       ARG  19   7.849  -7.667  -8.146
  138   2HG   ARG  19          3HG       ARG  19   6.922  -7.635  -9.642
  139   1HD   ARG  19          2HD       ARG  19   9.925  -7.894  -9.260
  140   2HD   ARG  19          3HD       ARG  19   8.844  -9.117  -9.912
  141    HE   ARG  19           HE       ARG  19   9.919  -6.667 -11.255
  142   1HH1  ARG  19          2HH2      ARG  19   7.322  -8.927 -11.801
  143   2HH1  ARG  19          1HH2      ARG  19   7.819  -9.214 -13.446
  144   1HH2  ARG  19          2HH1      ARG  19  10.916  -7.590 -13.156
  145   2HH2  ARG  19          1HH1      ARG  19  10.027  -8.824 -14.039
  146    H    GLU  20           HN       GLU  20   8.544  -3.938  -6.822
  147    HA   GLU  20           HA       GLU  20   8.660  -5.891  -4.707
  148   1HB   GLU  20          2HB       GLU  20  10.520  -4.444  -5.361
  149   2HB   GLU  20          3HB       GLU  20   9.601  -3.037  -4.814
  150   1HG   GLU  20          2HG       GLU  20   9.565  -3.964  -2.505
  151   2HG   GLU  20          3HG       GLU  20  10.472  -5.378  -3.063
  152    H    ILE  21           HN       ILE  21   6.898  -2.813  -5.329
  153    HA   ILE  21           HA       ILE  21   5.578  -2.678  -2.786
  154    HB   ILE  21           HB       ILE  21   4.648  -1.777  -5.548
  155   1HG1  ILE  21          2HG1      ILE  21   6.679  -0.614  -4.538
  156   2HG1  ILE  21          3HG1      ILE  21   5.310   0.414  -4.963
  157   1HG2  ILE  21          2HG2      ILE  21   3.349  -1.365  -2.856
  158   2HG2  ILE  21          3HG2      ILE  21   2.981  -0.399  -4.306
  159   3HG2  ILE  21          1HG2      ILE  21   2.659  -2.132  -4.283
  160   1HD1  ILE  21          2HD1      ILE  21   5.767  -0.638  -2.155
  161   2HD1  ILE  21          3HD1      ILE  21   6.336   0.925  -2.707
  162   3HD1  ILE  21          1HD1      ILE  21   4.615   0.597  -2.631
  163    H    ARG  22           HN       ARG  22   4.725  -4.357  -5.813
  164    HA   ARG  22           HA       ARG  22   2.349  -5.497  -4.943
  165   1HB   ARG  22          2HB       ARG  22   3.773  -5.604  -7.260
  166   2HB   ARG  22          3HB       ARG  22   4.160  -7.195  -6.639
  167   1HG   ARG  22          2HG       ARG  22   2.249  -7.795  -7.705
  168   2HG   ARG  22          3HG       ARG  22   1.426  -7.170  -6.279
  169   1HD   ARG  22          2HD       ARG  22   1.343  -4.887  -7.471
  170   2HD   ARG  22          3HD       ARG  22   2.048  -5.691  -8.877
  171    HE   ARG  22           HE       ARG  22  -0.540  -6.627  -7.680
  172   1HH1  ARG  22          2HH2      ARG  22   1.032  -4.997 -10.501
  173   2HH1  ARG  22          1HH2      ARG  22  -0.538  -4.688 -11.178
  174   1HH2  ARG  22          2HH1      ARG  22  -2.313  -6.939  -9.111
  175   2HH2  ARG  22          1HH1      ARG  22  -2.266  -6.182 -10.675
  176    H    LYS  23           HN       LYS  23   5.705  -6.687  -4.513
  177    HA   LYS  23           HA       LYS  23   5.173  -8.958  -2.994
  178   1HB   LYS  23          2HB       LYS  23   7.507  -7.347  -3.598
  179   2HB   LYS  23          3HB       LYS  23   7.495  -7.700  -1.884
  180   1HG   LYS  23          2HG       LYS  23   8.714  -9.414  -2.858
  181   2HG   LYS  23          3HG       LYS  23   7.158 -10.154  -2.462
  182   1HD   LYS  23          2HD       LYS  23   6.424  -9.954  -4.798
  183   2HD   LYS  23          3HD       LYS  23   7.834  -8.951  -5.187
  184   1HE   LYS  23          2HE       LYS  23   9.277 -10.982  -4.491
  185   2HE   LYS  23          3HE       LYS  23   7.785 -11.935  -4.529
  186   1HZ   LYS  23          2HZ       LYS  23   7.586 -11.242  -6.891
  187   2HZ   LYS  23          3HZ       LYS  23   9.002 -10.395  -6.728
  188   3HZ   LYS  23          1HZ       LYS  23   9.013 -12.032  -6.575
  189    H    ALA  24           HN       ALA  24   5.696  -5.579  -1.939
  190    HA   ALA  24           HA       ALA  24   5.657  -5.936   0.812
  191   1HB   ALA  24          1HB       ALA  24   6.304  -3.857  -0.354
  192   2HB   ALA  24          2HB       ALA  24   4.590  -3.499  -0.652
  193   3HB   ALA  24          3HB       ALA  24   5.198  -3.586   1.007
  194    H    TYR  25           HN       TYR  25   2.964  -5.064  -1.345
  195    HA   TYR  25           HA       TYR  25   0.808  -5.172   0.448
  196   1HB   TYR  25          2HB       TYR  25   0.575  -4.347  -1.781
  197   2HB   TYR  25          3HB       TYR  25   1.106  -5.860  -2.498
  198    HD1  TYR  25           HD1      TYR  25  -1.697  -4.237  -0.657
  199    HD2  TYR  25           HD2      TYR  25  -0.432  -7.604  -3.030
  200    HE1  TYR  25           HE1      TYR  25  -4.036  -5.046  -0.762
  201    HE2  TYR  25           HE2      TYR  25  -2.784  -8.326  -3.260
  202    HH   TYR  25           HH       TYR  25  -4.985  -7.826  -2.797
  203    H    LYS  26           HN       LYS  26   2.275  -7.860  -1.448
  204    HA   LYS  26           HA       LYS  26   0.598  -9.877  -0.540
  205   1HB   LYS  26          2HB       LYS  26   1.790 -10.790  -2.205
  206   2HB   LYS  26          3HB       LYS  26   3.067  -9.625  -2.059
  207   1HG   LYS  26          2HG       LYS  26   4.156 -11.666  -1.861
  208   2HG   LYS  26          3HG       LYS  26   4.148 -11.000  -0.262
  209   1HD   LYS  26          2HD       LYS  26   3.357 -13.031   0.370
  210   2HD   LYS  26          3HD       LYS  26   1.784 -12.449  -0.176
  211   1HE   LYS  26          2HE       LYS  26   3.791 -14.215  -1.650
  212   2HE   LYS  26          3HE       LYS  26   2.142 -14.620  -1.150
  213   1HZ   LYS  26          1HZ       LYS  26   1.398 -12.907  -2.849
  214   2HZ   LYS  26          2HZ       LYS  26   2.937 -12.807  -3.369
  215   3HZ   LYS  26          3HZ       LYS  26   2.142 -14.206  -3.470
  216    H    ARG  27           HN       ARG  27   3.745  -8.892   0.904
  217    HA   ARG  27           HA       ARG  27   3.572 -10.875   2.971
  218   1HB   ARG  27          2HB       ARG  27   5.355  -9.582   4.152
  219   2HB   ARG  27          3HB       ARG  27   5.733 -10.106   2.508
  220   1HG   ARG  27          2HG       ARG  27   5.348  -7.928   1.632
  221   2HG   ARG  27          3HG       ARG  27   4.838  -7.276   3.200
  222   1HD   ARG  27          2HD       ARG  27   7.558  -8.562   2.914
  223   2HD   ARG  27          3HD       ARG  27   7.342  -6.991   2.196
  224    HE   ARG  27           HE       ARG  27   7.634  -7.601   4.989
  225   1HH1  ARG  27          2HH2      ARG  27   6.313  -5.250   2.720
  226   2HH1  ARG  27          1HH2      ARG  27   6.563  -3.890   3.786
  227   1HH2  ARG  27          2HH1      ARG  27   7.954  -5.783   6.355
  228   2HH2  ARG  27          1HH1      ARG  27   7.028  -4.323   6.073
  229    H    LEU  28           HN       LEU  28   2.479  -7.531   2.747
  230    HA   LEU  28           HA       LEU  28   1.861  -7.199   5.550
  231   1HB   LEU  28          2HB       LEU  28   1.089  -5.867   2.916
  232   2HB   LEU  28          3HB       LEU  28   0.348  -5.372   4.425
  233    HG   LEU  28           HG       LEU  28   3.357  -5.507   4.219
  234   1HD1  LEU  28          1HD1      LEU  28   2.355  -4.079   2.371
  235   2HD1  LEU  28          2HD1      LEU  28   1.645  -3.079   3.645
  236   3HD1  LEU  28          3HD1      LEU  28   3.420  -3.252   3.501
  237   1HD2  LEU  28          1HD2      LEU  28   2.355  -5.252   6.511
  238   2HD2  LEU  28          2HD2      LEU  28   3.252  -3.813   6.010
  239   3HD2  LEU  28          3HD2      LEU  28   1.483  -3.813   5.948
  240    H    ALA  29           HN       ALA  29  -0.053  -8.137   2.691
  241    HA   ALA  29           HA       ALA  29  -2.554  -7.924   3.738
  242   1HB   ALA  29          1HB       ALA  29  -1.468 -10.039   1.800
  243   2HB   ALA  29          2HB       ALA  29  -3.192  -9.672   2.011
  244   3HB   ALA  29          3HB       ALA  29  -2.092  -8.437   1.375
  245    H    MET  30           HN       MET  30  -0.439 -10.776   3.931
  246    HA   MET  30           HA       MET  30  -2.222 -12.370   5.503
  247   1HB   MET  30          2HB       MET  30  -0.256 -13.829   5.856
  248   2HB   MET  30          3HB       MET  30  -0.590 -13.441   4.165
  249   1HG   MET  30          2HG       MET  30   1.241 -11.781   4.168
  250   2HG   MET  30          3HG       MET  30   1.553 -12.113   5.877
  251   1HE   MET  30          1HE       MET  30   1.685 -13.390   2.226
  252   2HE   MET  30          2HE       MET  30   2.499 -14.971   2.388
  253   3HE   MET  30          3HE       MET  30   0.831 -14.771   2.965
  254    H    LYS  31           HN       LYS  31   0.137  -9.889   6.384
  255    HA   LYS  31           HA       LYS  31   0.922 -10.789   8.916
  256   1HB   LYS  31          2HB       LYS  31   1.818  -8.848   7.500
  257   2HB   LYS  31          3HB       LYS  31   0.494  -7.872   8.145
  258   1HG   LYS  31          2HG       LYS  31   1.347  -8.338  10.489
  259   2HG   LYS  31          3HG       LYS  31   2.669  -9.258   9.760
  260   1HD   LYS  31          2HD       LYS  31   3.647  -7.144  10.139
  261   2HD   LYS  31          3HD       LYS  31   3.261  -7.149   8.430
  262   1HE   LYS  31          2HE       LYS  31   2.666  -5.021   9.252
  263   2HE   LYS  31          3HE       LYS  31   1.135  -5.822   8.974
  264   1HZ   LYS  31          1HZ       LYS  31   2.436  -5.743  11.635
  265   2HZ   LYS  31          2HZ       LYS  31   1.495  -4.519  11.082
  266   3HZ   LYS  31          3HZ       LYS  31   0.838  -6.017  11.321
  267    H    TYR  32           HN       TYR  32  -1.821  -8.752   7.957
  268    HA   TYR  32           HA       TYR  32  -3.044  -9.106  10.687
  269   1HB   TYR  32          2HB       TYR  32  -4.244  -6.984  10.093
  270   2HB   TYR  32          3HB       TYR  32  -2.540  -6.817  10.383
  271    HD1  TYR  32           HD1      TYR  32  -5.077  -7.033   7.598
  272    HD2  TYR  32           HD2      TYR  32  -1.144  -5.775   8.817
  273    HE1  TYR  32           HE1      TYR  32  -4.477  -6.599   5.246
  274    HE2  TYR  32           HE2      TYR  32  -0.636  -5.128   6.496
  275    HH   TYR  32           HH       TYR  32  -2.986  -5.605   3.825
  276    H    HIS  33           HN       HIS  33  -3.229 -11.038   8.393
  277    HA   HIS  33           HA       HIS  33  -5.112 -10.976   6.609
  278   1HB   HIS  33          2HB       HIS  33  -3.921 -13.009   7.260
  279   2HB   HIS  33          3HB       HIS  33  -5.030 -13.243   8.617
  280    HD1  HIS  33           HD1      HIS  33  -7.497 -14.204   7.951
  281    HD2  HIS  33           HD2      HIS  33  -4.960 -13.165   4.736
  282    HE1  HIS  33           HE1      HIS  33  -8.618 -15.039   5.815
  283    HA   PRO  34           HA       PRO  34  -8.217  -9.321   9.317
  284   1HB   PRO  34          2HB       PRO  34  -9.588  -7.627   7.680
  285   2HB   PRO  34          3HB       PRO  34  -7.866  -7.404   8.058
  286   1HG   PRO  34          2HG       PRO  34  -9.012  -8.813   5.629
  287   2HG   PRO  34          3HG       PRO  34  -7.852  -7.451   5.655
  288   1HD   PRO  34          2HD       PRO  34  -7.005 -10.049   5.493
  289   2HD   PRO  34          3HD       PRO  34  -6.101  -8.849   6.463
  290    H    ASP  35           HN       ASP  35  -8.868 -12.051   8.508
  291    HA   ASP  35           HA       ASP  35 -11.726 -11.857   7.715
  292   1HB   ASP  35          2HB       ASP  35 -11.856 -14.069   7.490
  293   2HB   ASP  35          3HB       ASP  35 -10.222 -13.752   6.920
  294    H    ARG  36           HN       ARG  36 -10.034 -13.337  10.531
  295    HA   ARG  36           HA       ARG  36 -12.452 -12.757  12.165
  296   1HB   ARG  36          2HB       ARG  36 -11.228 -13.943  13.992
  297   2HB   ARG  36          3HB       ARG  36 -11.578 -14.843  12.535
  298   1HG   ARG  36          2HG       ARG  36  -8.982 -14.044  11.955
  299   2HG   ARG  36          3HG       ARG  36  -8.961 -14.095  13.702
  300   1HD   ARG  36          2HD       ARG  36  -8.295 -16.259  12.897
  301   2HD   ARG  36          3HD       ARG  36  -9.923 -16.401  13.617
  302    HE   ARG  36           HE       ARG  36  -9.853 -15.857  10.700
  303   1HH1  ARG  36          2HH2      ARG  36  -9.669 -18.400  13.100
  304   2HH1  ARG  36          1HH2      ARG  36 -10.352 -19.649  12.094
  305   1HH2  ARG  36          2HH1      ARG  36 -10.878 -17.386   9.406
  306   2HH2  ARG  36          1HH1      ARG  36 -11.018 -19.074   9.837
  307    H    ASN  37           HN       ASN  37 -11.380 -10.399  11.269
  308    HA   ASN  37           HA       ASN  37 -10.213  -9.184  13.765
  309   1HB   ASN  37          2HB       ASN  37  -9.236  -7.559  12.600
  310   2HB   ASN  37          3HB       ASN  37  -9.180  -8.770  11.324
  311   1HD2  ASN  37          2HD2      ASN  37 -11.988  -7.124   9.527
  312   2HD2  ASN  37          1HD2      ASN  37 -11.253  -8.683   9.761
  313    H    GLN  38           HN       GLN  38 -13.122 -10.026  12.650
  314    HA   GLN  38           HA       GLN  38 -14.599  -7.731  12.076
  315   1HB   GLN  38          2HB       GLN  38 -15.238 -10.482  13.227
  316   2HB   GLN  38          3HB       GLN  38 -16.507  -9.277  13.012
  317   1HG   GLN  38          2HG       GLN  38 -14.700 -10.275  10.793
  318   2HG   GLN  38          3HG       GLN  38 -16.362 -10.803  11.079
  319   1HE2  GLN  38          2HE2      GLN  38 -16.143  -8.015   8.452
  320   2HE2  GLN  38          1HE2      GLN  38 -15.013  -9.342   8.720
  321    H    GLY  39           HN       GLY  39 -14.282  -5.963  13.442
  322   1HA   GLY  39          1HA       GLY  39 -15.536  -5.046  15.503
  323   2HA   GLY  39          2HA       GLY  39 -14.685  -6.309  16.400
  324    H    ASP  40           HN       ASP  40 -12.167  -6.323  15.265
  325    HA   ASP  40           HA       ASP  40 -10.832  -4.297  16.628
  326   1HB   ASP  40          2HB       ASP  40  -9.634  -6.300  16.105
  327   2HB   ASP  40          3HB       ASP  40 -10.013  -6.184  14.398
  328    H    LYS  41           HN       LYS  41 -11.084  -4.814  13.152
  329    HA   LYS  41           HA       LYS  41 -11.696  -3.562  11.414
  330   1HB   LYS  41          2HB       LYS  41 -13.239  -2.313  13.146
  331   2HB   LYS  41          3HB       LYS  41 -12.009  -1.044  13.010
  332   1HG   LYS  41          2HG       LYS  41 -12.506  -1.729  10.328
  333   2HG   LYS  41          3HG       LYS  41 -14.077  -1.971  11.075
  334   1HD   LYS  41          2HD       LYS  41 -12.387   0.576  11.111
  335   2HD   LYS  41          3HD       LYS  41 -13.840   0.286  10.137
  336   1HE   LYS  41          2HE       LYS  41 -15.157  -0.019  12.268
  337   2HE   LYS  41          3HE       LYS  41 -13.715   0.401  13.188
  338   1HZ   LYS  41          2HZ       LYS  41 -13.778   2.577  11.922
  339   2HZ   LYS  41          3HZ       LYS  41 -15.293   2.138  11.420
  340   3HZ   LYS  41          1HZ       LYS  41 -14.958   2.313  13.014
  341    H    GLU  42           HN       GLU  42  -9.168  -2.581  13.604
  342    HA   GLU  42           HA       GLU  42  -7.891  -0.727  11.831
  343   1HB   GLU  42          2HB       GLU  42  -6.796  -2.635  13.944
  344   2HB   GLU  42          3HB       GLU  42  -5.760  -1.666  12.904
  345   1HG   GLU  42          2HG       GLU  42  -7.099   0.386  13.790
  346   2HG   GLU  42          3HG       GLU  42  -7.627  -0.707  15.082
  347    H    ALA  43           HN       ALA  43  -7.552  -4.333  12.223
  348    HA   ALA  43           HA       ALA  43  -5.764  -4.581  10.229
  349   1HB   ALA  43          3HB       ALA  43  -6.432  -6.458  11.685
  350   2HB   ALA  43          1HB       ALA  43  -8.028  -6.494  10.901
  351   3HB   ALA  43          2HB       ALA  43  -6.592  -6.944   9.984
  352    H    GLU  44           HN       GLU  44  -9.280  -4.419   9.886
  353    HA   GLU  44           HA       GLU  44  -9.387  -4.891   7.062
  354   1HB   GLU  44          2HB       GLU  44 -11.311  -4.982   8.793
  355   2HB   GLU  44          3HB       GLU  44 -11.263  -3.220   8.814
  356   1HG   GLU  44          2HG       GLU  44 -11.591  -3.485   6.191
  357   2HG   GLU  44          3HG       GLU  44 -12.155  -5.092   6.621
  358    H    ALA  45           HN       ALA  45  -9.351  -1.813   8.983
  359    HA   ALA  45           HA       ALA  45  -9.508  -0.214   6.701
  360   1HB   ALA  45          1HB       ALA  45 -10.149   0.522   9.011
  361   2HB   ALA  45          2HB       ALA  45  -8.461   0.345   9.539
  362   3HB   ALA  45          3HB       ALA  45  -8.899   1.607   8.377
  363    H    LYS  46           HN       LYS  46  -6.873  -1.707   8.414
  364    HA   LYS  46           HA       LYS  46  -4.799  -0.112   7.319
  365   1HB   LYS  46          2HB       LYS  46  -4.760  -1.261   9.457
  366   2HB   LYS  46          3HB       LYS  46  -4.575  -2.830   8.655
  367   1HG   LYS  46          2HG       LYS  46  -2.404  -2.309   7.948
  368   2HG   LYS  46          3HG       LYS  46  -2.645  -0.570   7.998
  369   1HD   LYS  46          2HD       LYS  46  -2.281  -2.462  10.369
  370   2HD   LYS  46          3HD       LYS  46  -1.157  -1.237   9.789
  371   1HE   LYS  46          2HE       LYS  46  -3.796  -0.808  11.269
  372   2HE   LYS  46          3HE       LYS  46  -2.182  -0.372  11.783
  373   1HZ   LYS  46          1HZ       LYS  46  -3.392   0.924   9.402
  374   2HZ   LYS  46          2HZ       LYS  46  -3.628   1.436  10.948
  375   3HZ   LYS  46          3HZ       LYS  46  -2.109   1.389  10.301
  376    H    PHE  47           HN       PHE  47  -6.322  -3.306   6.624
  377    HA   PHE  47           HA       PHE  47  -4.781  -3.853   4.291
  378   1HB   PHE  47          2HB       PHE  47  -6.396  -5.488   5.328
  379   2HB   PHE  47          3HB       PHE  47  -7.729  -4.438   4.964
  380    HD1  PHE  47          1HD       PHE  47  -8.290  -3.850   2.516
  381    HD2  PHE  47          2HD       PHE  47  -6.051  -7.325   3.790
  382    HE1  PHE  47          1HE       PHE  47  -8.883  -5.005   0.434
  383    HE2  PHE  47          2HE       PHE  47  -6.756  -8.511   1.745
  384    HZ   PHE  47           HZ       PHE  47  -8.155  -7.355   0.045
  385    H    LYS  48           HN       LYS  48  -7.531  -1.582   4.896
  386    HA   LYS  48           HA       LYS  48  -7.988  -1.161   2.148
  387   1HB   LYS  48          2HB       LYS  48  -8.634   0.736   4.350
  388   2HB   LYS  48          3HB       LYS  48  -8.986   1.003   2.640
  389   1HG   LYS  48          2HG       LYS  48 -10.190  -1.211   2.586
  390   2HG   LYS  48          3HG       LYS  48  -9.794  -1.333   4.281
  391   1HD   LYS  48          2HD       LYS  48 -10.972   1.156   4.282
  392   2HD   LYS  48          3HD       LYS  48 -11.572   0.628   2.719
  393   1HE   LYS  48          2HE       LYS  48 -13.288   0.237   4.312
  394   2HE   LYS  48          3HE       LYS  48 -12.666  -1.344   3.830
  395   1HZ   LYS  48          1HZ       LYS  48 -11.981   0.177   6.283
  396   2HZ   LYS  48          2HZ       LYS  48 -13.028  -1.092   6.201
  397   3HZ   LYS  48          3HZ       LYS  48 -11.436  -1.347   5.928
  398    H    GLU  49           HN       GLU  49  -6.019   0.727   4.600
  399    HA   GLU  49           HA       GLU  49  -5.291   2.711   2.700
  400   1HB   GLU  49          2HB       GLU  49  -3.803   3.526   4.348
  401   2HB   GLU  49          3HB       GLU  49  -5.255   2.990   5.189
  402   1HG   GLU  49          2HG       GLU  49  -4.043   0.862   5.701
  403   2HG   GLU  49          3HG       GLU  49  -2.575   1.547   5.040
  404    H    ILE  50           HN       ILE  50  -3.754  -0.376   3.687
  405    HA   ILE  50           HA       ILE  50  -1.387   0.025   2.127
  406    HB   ILE  50           HB       ILE  50  -2.797  -2.492   3.061
  407   1HG1  ILE  50          2HG1      ILE  50  -0.243  -1.236   4.174
  408   2HG1  ILE  50          3HG1      ILE  50  -1.824  -0.744   4.774
  409   1HG2  ILE  50          3HG2      ILE  50  -1.294  -3.000   1.146
  410   2HG2  ILE  50          1HG2      ILE  50   0.043  -2.195   1.980
  411   3HG2  ILE  50          2HG2      ILE  50  -0.666  -3.683   2.631
  412   1HD1  ILE  50          2HD1      ILE  50  -2.385  -3.116   5.284
  413   2HD1  ILE  50          3HD1      ILE  50  -0.744  -3.558   4.796
  414   3HD1  ILE  50          1HD1      ILE  50  -0.985  -2.518   6.197
  415    H    LYS  51           HN       LYS  51  -4.617  -1.468   1.372
  416    HA   LYS  51           HA       LYS  51  -3.698  -2.399  -1.167
  417   1HB   LYS  51          2HB       LYS  51  -5.585  -3.410   0.063
  418   2HB   LYS  51          3HB       LYS  51  -6.571  -1.965  -0.272
  419   1HG   LYS  51          2HG       LYS  51  -6.331  -2.328  -2.687
  420   2HG   LYS  51          3HG       LYS  51  -5.208  -3.682  -2.407
  421   1HD   LYS  51          2HD       LYS  51  -7.068  -4.831  -1.127
  422   2HD   LYS  51          3HD       LYS  51  -8.168  -3.553  -1.676
  423   1HE   LYS  51          2HE       LYS  51  -6.691  -5.673  -3.300
  424   2HE   LYS  51          3HE       LYS  51  -8.434  -5.428  -3.164
  425   1HZ   LYS  51          1HZ       LYS  51  -8.135  -3.348  -4.394
  426   2HZ   LYS  51          2HZ       LYS  51  -6.535  -3.657  -4.579
  427   3HZ   LYS  51          3HZ       LYS  51  -7.610  -4.699  -5.233
  428    H    GLU  52           HN       GLU  52  -5.465   0.546  -0.130
  429    HA   GLU  52           HA       GLU  52  -5.955   1.492  -2.803
  430   1HB   GLU  52          2HB       GLU  52  -7.238   2.167  -0.783
  431   2HB   GLU  52          3HB       GLU  52  -5.834   3.034  -0.155
  432   1HG   GLU  52          2HG       GLU  52  -5.834   4.583  -1.994
  433   2HG   GLU  52          3HG       GLU  52  -7.006   3.642  -2.907
  434    H    ALA  53           HN       ALA  53  -3.426   2.128  -0.297
  435    HA   ALA  53           HA       ALA  53  -1.899   3.938  -1.802
  436   1HB   ALA  53          2HB       ALA  53  -0.991   1.823   0.183
  437   2HB   ALA  53          3HB       ALA  53   0.035   3.126  -0.458
  438   3HB   ALA  53          1HB       ALA  53  -1.390   3.520   0.529
  439    H    TYR  54           HN       TYR  54  -1.722   0.354  -1.699
  440    HA   TYR  54           HA       TYR  54   0.226  -0.071  -3.695
  441   1HB   TYR  54          2HB       TYR  54  -0.334  -1.933  -2.447
  442   2HB   TYR  54          3HB       TYR  54  -2.046  -1.627  -2.511
  443    HD1  TYR  54           HD2      TYR  54  -3.439  -2.175  -4.490
  444    HD2  TYR  54           HD1      TYR  54   0.644  -3.493  -4.048
  445    HE1  TYR  54           HE2      TYR  54  -3.868  -4.005  -6.069
  446    HE2  TYR  54           HE1      TYR  54   0.127  -5.466  -5.457
  447    HH   TYR  54           HH       TYR  54  -2.971  -5.731  -7.198
  448    H    GLU  55           HN       GLU  55  -3.333   0.375  -4.039
  449    HA   GLU  55           HA       GLU  55  -3.467  -0.086  -6.830
  450   1HB   GLU  55          2HB       GLU  55  -5.583  -0.024  -6.345
  451   2HB   GLU  55          3HB       GLU  55  -5.281   0.543  -4.734
  452   1HG   GLU  55          2HG       GLU  55  -5.509   2.821  -5.343
  453   2HG   GLU  55          3HG       GLU  55  -5.505   2.428  -7.073
  454    H    VAL  56           HN       VAL  56  -3.003   2.863  -4.968
  455    HA   VAL  56           HA       VAL  56  -2.945   4.673  -7.152
  456    HB   VAL  56           HB       VAL  56  -2.018   4.674  -4.269
  457   1HG1  VAL  56          1HG1      VAL  56  -1.679   7.038  -6.135
  458   2HG1  VAL  56          2HG1      VAL  56  -1.571   7.100  -4.385
  459   3HG1  VAL  56          3HG1      VAL  56  -0.399   6.132  -5.270
  460   1HG2  VAL  56          3HG2      VAL  56  -4.421   4.897  -4.813
  461   2HG2  VAL  56          1HG2      VAL  56  -3.756   6.341  -4.022
  462   3HG2  VAL  56          2HG2      VAL  56  -4.020   6.341  -5.777
  463    H    LEU  57           HN       LEU  57  -0.298   2.890  -5.472
  464    HA   LEU  57           HA       LEU  57   1.769   4.002  -7.213
  465   1HB   LEU  57          2HB       LEU  57   1.777   1.542  -5.416
  466   2HB   LEU  57          3HB       LEU  57   3.203   2.345  -6.119
  467    HG   LEU  57           HG       LEU  57   1.371   3.472  -3.988
  468   1HD1  LEU  57          1HD1      LEU  57   4.206   2.451  -4.141
  469   2HD1  LEU  57          2HD1      LEU  57   3.432   3.172  -2.689
  470   3HD1  LEU  57          3HD1      LEU  57   2.797   1.679  -3.396
  471   1HD2  LEU  57          1HD2      LEU  57   3.490   4.805  -5.690
  472   2HD2  LEU  57          2HD2      LEU  57   1.835   5.301  -5.379
  473   3HD2  LEU  57          3HD2      LEU  57   3.001   5.399  -4.066
  474    H    THR  58           HN       THR  58   0.030   3.090  -9.047
  475    HA   THR  58           HA       THR  58   1.797   1.080 -10.315
  476    HB   THR  58           HB       THR  58  -0.100  -0.248 -11.130
  477    HG1  THR  58          1HG       THR  58  -1.591   1.244  -9.203
  478   1HG2  THR  58          2HG2      THR  58   1.230  -0.853  -9.045
  479   2HG2  THR  58          3HG2      THR  58  -0.034  -0.059  -8.098
  480   3HG2  THR  58          1HG2      THR  58  -0.417  -1.498  -8.999
  481    H    ASP  59           HN       ASP  59   0.232   4.098 -10.472
  482    HA   ASP  59           HA       ASP  59  -0.547   3.694 -13.319
  483   1HB   ASP  59          2HB       ASP  59  -1.906   4.990 -11.556
  484   2HB   ASP  59          3HB       ASP  59  -0.678   6.257 -11.733
  485    H    SER  60           HN       SER  60   2.149   3.428 -12.981
  486    HA   SER  60           HA       SER  60   4.205   4.009 -13.452
  487   1HB   SER  60          2HB       SER  60   3.426   4.629 -15.705
  488   2HB   SER  60          3HB       SER  60   3.183   6.298 -15.166
  489    HG   SER  60           HG       SER  60   5.680   4.974 -14.824
  490    H    GLN  61           HN       GLN  61   2.187   6.855 -12.372
  491    HA   GLN  61           HA       GLN  61   4.534   7.702 -10.728
  492   1HB   GLN  61          2HB       GLN  61   4.182   9.174 -12.547
  493   2HB   GLN  61          3HB       GLN  61   2.443   9.165 -12.364
  494   1HG   GLN  61          2HG       GLN  61   2.409  10.793 -10.827
  495   2HG   GLN  61          3HG       GLN  61   3.785  10.137  -9.945
  496   1HE2  GLN  61          2HE2      GLN  61   4.761  12.536 -13.170
  497   2HE2  GLN  61          1HE2      GLN  61   3.550  11.260 -13.383
  498    H    LYS  62           HN       LYS  62   1.169   8.766 -10.776
  499    HA   LYS  62           HA       LYS  62  -0.018   9.269  -8.858
  500   1HB   LYS  62          2HB       LYS  62  -0.458   6.434  -9.668
  501   2HB   LYS  62          3HB       LYS  62  -1.163   6.980  -8.170
  502   1HG   LYS  62          2HG       LYS  62  -2.085   9.018  -9.371
  503   2HG   LYS  62          3HG       LYS  62  -1.777   8.154 -10.878
  504   1HD   LYS  62          2HD       LYS  62  -3.368   6.429 -10.278
  505   2HD   LYS  62          3HD       LYS  62  -3.391   6.941  -8.574
  506   1HE   LYS  62          2HE       LYS  62  -4.387   9.120  -9.204
  507   2HE   LYS  62          3HE       LYS  62  -4.393   8.633 -10.906
  508   1HZ   LYS  62          3HZ       LYS  62  -5.961   7.281  -8.774
  509   2HZ   LYS  62          1HZ       LYS  62  -6.515   8.419  -9.814
  510   3HZ   LYS  62          2HZ       LYS  62  -6.014   6.992 -10.413
  511    H    ARG  63           HN       ARG  63   1.597   9.995  -7.648
  512    HA   ARG  63           HA       ARG  63   1.784   9.647  -4.968
  513   1HB   ARG  63          2HB       ARG  63   2.160   7.508  -4.796
  514   2HB   ARG  63          3HB       ARG  63   3.458   7.433  -5.979
  515   1HG   ARG  63          2HG       ARG  63   3.504   8.893  -3.272
  516   2HG   ARG  63          3HG       ARG  63   4.140   7.274  -3.542
  517   1HD   ARG  63          2HD       ARG  63   5.342   8.910  -5.497
  518   2HD   ARG  63          3HD       ARG  63   5.336   9.874  -4.034
  519    HE   ARG  63           HE       ARG  63   6.643   8.080  -2.941
  520   1HH1  ARG  63          2HH2      ARG  63   6.419   7.721  -6.535
  521   2HH1  ARG  63          1HH2      ARG  63   7.897   6.811  -6.581
  522   1HH2  ARG  63          2HH1      ARG  63   8.611   6.678  -3.199
  523   2HH2  ARG  63          1HH1      ARG  63   9.025   6.290  -4.851
  524    H    ALA  64           HN       ALA  64   4.269   9.523  -7.546
  525    HA   ALA  64           HA       ALA  64   5.717  11.702  -6.435
  526   1HB   ALA  64          2HB       ALA  64   5.785  10.433  -9.185
  527   2HB   ALA  64          3HB       ALA  64   6.847  11.745  -8.686
  528   3HB   ALA  64          1HB       ALA  64   6.869  10.199  -7.826
  529    H    ALA  65           HN       ALA  65   2.785  11.769  -8.476
  530    HA   ALA  65           HA       ALA  65   3.101  14.489  -9.024
  531   1HB   ALA  65          1HB       ALA  65   1.437  13.300 -10.307
  532   2HB   ALA  65          2HB       ALA  65   0.444  13.085  -8.837
  533   3HB   ALA  65          3HB       ALA  65   0.768  14.676  -9.466
  534    H    TYR  66           HN       TYR  66   1.493  12.648  -6.318
  535    HA   TYR  66           HA       TYR  66   0.527  14.750  -4.852
  536   1HB   TYR  66          2HB       TYR  66   0.655  12.161  -4.334
  537   2HB   TYR  66          3HB       TYR  66   2.031  12.631  -3.344
  538    HD1  TYR  66           HD1      TYR  66   1.669  14.247  -1.429
  539    HD2  TYR  66           HD2      TYR  66  -1.615  12.870  -3.852
  540    HE1  TYR  66           HE1      TYR  66   0.062  15.218   0.190
  541    HE2  TYR  66           HE2      TYR  66  -3.203  13.911  -2.283
  542    HH   TYR  66           HH       TYR  66  -3.376  15.484  -0.595
  543    H    ASP  67           HN       ASP  67   3.943  13.769  -4.969
  544    HA   ASP  67           HA       ASP  67   4.903  16.040  -3.437
  545   1HB   ASP  67          2HB       ASP  67   6.428  14.223  -3.883
  546   2HB   ASP  67          3HB       ASP  67   6.232  14.420  -5.621
  547    H    GLN  68           HN       GLN  68   4.741  15.601  -7.086
  548    HA   GLN  68           HA       GLN  68   5.454  18.434  -7.316
  549   1HB   GLN  68          2HB       GLN  68   5.717  15.910  -8.835
  550   2HB   GLN  68          3HB       GLN  68   5.058  17.189  -9.816
  551   1HG   GLN  68          2HG       GLN  68   6.880  18.696  -9.160
  552   2HG   GLN  68          3HG       GLN  68   7.657  17.337  -8.324
  553   1HE2  GLN  68          2HE2      GLN  68   7.955  15.481 -11.561
  554   2HE2  GLN  68          1HE2      GLN  68   7.397  15.206  -9.916
  555    H    TYR  69           HN       TYR  69   3.125  16.457  -9.183
  556    HA   TYR  69           HA       TYR  69   1.393  18.857  -9.381
  557   1HB   TYR  69          2HB       TYR  69   0.701  17.741 -11.645
  558   2HB   TYR  69          3HB       TYR  69   1.985  18.868 -11.370
  559    HD1  TYR  69           HD2      TYR  69   1.278  15.304 -12.049
  560    HD2  TYR  69           HD1      TYR  69   4.260  18.404 -11.868
  561    HE1  TYR  69           HE2      TYR  69   2.922  13.796 -13.078
  562    HE2  TYR  69           HE1      TYR  69   5.955  16.821 -12.723
  563    HH   TYR  69           HH       TYR  69   6.452  14.582 -13.105
  564    H    GLY  70           HN       GLY  70   0.959  16.887  -7.282
  565   1HA   GLY  70          1HA       GLY  70  -0.653  15.434  -6.458
  566   2HA   GLY  70          2HA       GLY  70  -1.518  16.938  -6.604
  567    H    HIS  71           HN       HIS  71  -3.204  17.012  -7.997
  568    HA   HIS  71           HA       HIS  71  -3.631  14.941 -10.045
  569   1HB   HIS  71          2HB       HIS  71  -6.110  15.020  -9.585
  570   2HB   HIS  71          3HB       HIS  71  -5.124  14.065  -8.489
  571    HD1  HIS  71           HD1      HIS  71  -5.812  17.865  -8.193
  572    HD2  HIS  71           HD2      HIS  71  -6.370  14.183  -6.255
  573    HE1  HIS  71           HE1      HIS  71  -6.585  18.401  -5.817
  574    H    ALA  72           HN       ALA  72  -2.447  16.623 -10.947
  575    HA   ALA  72           HA       ALA  72  -2.107  18.260 -12.383
  576   1HB   ALA  72          3HB       ALA  72  -4.284  17.611 -13.291
  577   2HB   ALA  72          1HB       ALA  72  -5.058  18.877 -12.295
  578   3HB   ALA  72          2HB       ALA  72  -3.874  19.317 -13.548
  579    H    ALA  73           HN       ALA  73  -1.633  18.506  -9.736
  580    HA   ALA  73           HA       ALA  73  -2.526  20.868  -8.478
  581   1HB   ALA  73          3HB       ALA  73  -1.110  18.844  -7.613
  582   2HB   ALA  73          1HB       ALA  73   0.286  19.820  -8.054
  583   3HB   ALA  73          2HB       ALA  73  -0.857  20.415  -6.879
  584    H    PHE  74           HN       PHE  74   0.022  20.371 -10.921
  585    HA   PHE  74           HA       PHE  74   0.975  23.113 -10.746
  586   1HB   PHE  74          2HB       PHE  74   2.398  22.539 -12.486
  587   2HB   PHE  74          3HB       PHE  74   2.440  21.246 -11.310
  588    HD1  PHE  74          2HD       PHE  74  -0.535  20.498 -13.106
  589    HD2  PHE  74          1HD       PHE  74   3.759  20.511 -13.543
  590    HE1  PHE  74          2HE       PHE  74  -0.766  19.502 -15.322
  591    HE2  PHE  74          1HE       PHE  74   3.515  19.314 -15.701
  592    HZ   PHE  74           HZ       PHE  74   1.237  18.992 -16.676
  593    H    GLU  75           HN       GLU  75  -1.980  22.089 -11.753
  594    HA   GLU  75           HA       GLU  75  -2.117  23.886 -14.108
  595   1HB   GLU  75          2HB       GLU  75  -2.615  21.036 -13.875
  596   2HB   GLU  75          3HB       GLU  75  -4.129  21.835 -14.209
  597   1HG   GLU  75          2HG       GLU  75  -2.786  23.068 -16.100
  598   2HG   GLU  75          3HG       GLU  75  -1.589  21.789 -15.869
  599    H    GLN  76           HN       GLN  76  -2.686  24.227 -11.077
  600    HA   GLN  76           HA       GLN  76  -5.467  24.574 -10.634
  601   1HB   GLN  76          2HB       GLN  76  -2.855  25.760  -9.612
  602   2HB   GLN  76          3HB       GLN  76  -4.419  26.290  -9.034
  603   1HG   GLN  76          2HG       GLN  76  -4.981  24.089  -8.193
  604   2HG   GLN  76          3HG       GLN  76  -3.525  23.384  -8.899
  605   1HE2  GLN  76          2HE2      GLN  76  -1.278  25.022  -6.522
  606   2HE2  GLN  76          1HE2      GLN  76  -1.405  24.240  -8.092
   
  No H/Q in entry =         606
  Start of MODEL   14
    1   1H    ALA   2          1HN       ALA   2  10.841  13.955   6.192
    2   2H    ALA   2          2HN       ALA   2   9.254  14.413   6.128
    3   3H    ALA   2          3HN       ALA   2  10.265  15.113   7.237
    4    HA   ALA   2           HA       ALA   2  10.624  13.093   8.352
    5   1HB   ALA   2          2HB       ALA   2   8.742  14.578   9.061
    6   2HB   ALA   2          3HB       ALA   2   7.637  13.616   8.055
    7   3HB   ALA   2          1HB       ALA   2   8.456  12.886   9.448
    8    H    LYS   3           HN       LYS   3   8.212  11.194   8.391
    9    HA   LYS   3           HA       LYS   3   9.548   9.191   7.027
   10   1HB   LYS   3          2HB       LYS   3   7.679   7.760   7.664
   11   2HB   LYS   3          3HB       LYS   3   8.050   8.885   8.951
   12   1HG   LYS   3          2HG       LYS   3   5.887   9.323   9.038
   13   2HG   LYS   3          3HG       LYS   3   6.108  10.326   7.611
   14   1HD   LYS   3          2HD       LYS   3   5.723   7.556   6.772
   15   2HD   LYS   3          3HD       LYS   3   4.553   7.920   8.026
   16   1HE   LYS   3          2HE       LYS   3   3.905  10.013   6.678
   17   2HE   LYS   3          3HE       LYS   3   4.941   9.418   5.383
   18   1HZ   LYS   3          2HZ       LYS   3   3.492   7.352   5.567
   19   2HZ   LYS   3          3HZ       LYS   3   2.455   8.281   6.457
   20   3HZ   LYS   3          1HZ       LYS   3   2.770   8.648   4.910
   21    H    GLN   4           HN       GLN   4   9.124   7.921   5.183
   22    HA   GLN   4           HA       GLN   4   8.224   9.478   2.878
   23   1HB   GLN   4          2HB       GLN   4  10.009   7.632   2.928
   24   2HB   GLN   4          3HB       GLN   4   8.685   6.472   3.018
   25   1HG   GLN   4          2HG       GLN   4   9.329   6.607   0.727
   26   2HG   GLN   4          3HG       GLN   4   7.805   7.484   0.821
   27   1HE2  GLN   4          2HE2      GLN   4   9.304  10.504  -0.356
   28   2HE2  GLN   4          1HE2      GLN   4   7.819   9.668   0.037
   29    H    ASP   5           HN       ASP   5   6.240   8.962   1.596
   30    HA   ASP   5           HA       ASP   5   4.196   7.626   3.295
   31   1HB   ASP   5          2HB       ASP   5   4.009  10.155   2.825
   32   2HB   ASP   5          3HB       ASP   5   3.662   9.688   1.150
   33    H    TYR   6           HN       TYR   6   2.587   6.521   2.297
   34    HA   TYR   6           HA       TYR   6   1.701   4.806   1.124
   35   1HB   TYR   6          2HB       TYR   6   3.502   5.438  -1.241
   36   2HB   TYR   6          3HB       TYR   6   1.952   4.616  -1.243
   37    HD1  TYR   6           HD1      TYR   6   0.098   6.317   0.168
   38    HD2  TYR   6           HD2      TYR   6   3.375   7.466  -2.399
   39    HE1  TYR   6           HE1      TYR   6  -0.850   8.577  -0.036
   40    HE2  TYR   6           HE2      TYR   6   2.389   9.718  -2.641
   41    HH   TYR   6           HH       TYR   6  -0.391  10.742  -0.678
   42    H    TYR   7           HN       TYR   7   5.106   5.156   0.484
   43    HA   TYR   7           HA       TYR   7   5.760   2.375   0.273
   44   1HB   TYR   7          2HB       TYR   7   7.393   4.837   1.036
   45   2HB   TYR   7          3HB       TYR   7   8.100   3.227   0.940
   46    HD1  TYR   7           HD2      TYR   7   7.767   1.863  -1.173
   47    HD2  TYR   7           HD1      TYR   7   7.142   6.120  -1.080
   48    HE1  TYR   7           HE2      TYR   7   7.708   1.911  -3.630
   49    HE2  TYR   7           HE1      TYR   7   7.331   6.186  -3.552
   50    HH   TYR   7           HH       TYR   7   8.024   3.209  -5.453
   51    H    GLU   8           HN       GLU   8   5.637   4.573   3.115
   52    HA   GLU   8           HA       GLU   8   6.655   2.506   4.805
   53   1HB   GLU   8          2HB       GLU   8   6.787   5.190   4.820
   54   2HB   GLU   8          3HB       GLU   8   5.428   5.001   5.923
   55   1HG   GLU   8          2HG       GLU   8   6.930   3.048   6.901
   56   2HG   GLU   8          3HG       GLU   8   8.265   3.916   6.123
   57    H    ILE   9           HN       ILE   9   3.600   3.811   3.919
   58    HA   ILE   9           HA       ILE   9   1.894   2.986   5.946
   59    HB   ILE   9           HB       ILE   9   1.400   2.847   2.951
   60   1HG1  ILE   9          2HG1      ILE   9   0.920   4.977   5.090
   61   2HG1  ILE   9          3HG1      ILE   9   1.985   5.098   3.690
   62   1HG2  ILE   9          1HG2      ILE   9  -0.219   1.454   4.174
   63   2HG2  ILE   9          2HG2      ILE   9  -0.632   2.871   5.183
   64   3HG2  ILE   9          3HG2      ILE   9  -0.956   2.862   3.433
   65   1HD1  ILE   9          3HD1      ILE   9  -0.162   4.791   2.262
   66   2HD1  ILE   9          1HD1      ILE   9  -1.036   5.114   3.764
   67   3HD1  ILE   9          2HD1      ILE   9   0.062   6.334   3.107
   68    H    LEU  10           HN       LEU  10   3.238   1.003   3.282
   69    HA   LEU  10           HA       LEU  10   2.494  -1.506   4.600
   70   1HB   LEU  10          2HB       LEU  10   4.747  -1.824   2.836
   71   2HB   LEU  10          3HB       LEU  10   3.142  -2.515   2.741
   72    HG   LEU  10           HG       LEU  10   3.893   0.225   1.619
   73   1HD1  LEU  10          1HD1      LEU  10   3.588  -2.469   0.251
   74   2HD1  LEU  10          2HD1      LEU  10   3.846  -0.900  -0.527
   75   3HD1  LEU  10          3HD1      LEU  10   5.116  -1.581   0.500
   76   1HD2  LEU  10          1HD2      LEU  10   1.477  -1.594   1.122
   77   2HD2  LEU  10          2HD2      LEU  10   1.405  -0.065   2.028
   78   3HD2  LEU  10          3HD2      LEU  10   1.832  -0.077   0.305
   79    H    GLY  11           HN       GLY  11   5.552   0.252   3.995
   80   1HA   GLY  11          1HA       GLY  11   7.159   0.660   5.849
   81   2HA   GLY  11          2HA       GLY  11   6.753  -0.930   6.494
   82    H    VAL  12           HN       VAL  12   7.418   0.268   3.168
   83    HA   VAL  12           HA       VAL  12   9.472  -1.869   2.818
   84    HB   VAL  12           HB       VAL  12   7.241  -1.988   1.546
   85   1HG1  VAL  12          1HG1      VAL  12   7.169   0.355   0.734
   86   2HG1  VAL  12          2HG1      VAL  12   8.663   0.062  -0.189
   87   3HG1  VAL  12          3HG1      VAL  12   7.203  -0.825  -0.587
   88   1HG2  VAL  12          1HG2      VAL  12   9.185  -3.414   1.004
   89   2HG2  VAL  12          2HG2      VAL  12   8.202  -2.964  -0.399
   90   3HG2  VAL  12          3HG2      VAL  12   9.743  -2.174  -0.148
   91    H    SER  13           HN       SER  13  10.965  -1.133   0.910
   92    HA   SER  13           HA       SER  13  12.670   0.792   1.772
   93   1HB   SER  13          2HB       SER  13  12.158  -0.924  -0.602
   94   2HB   SER  13          3HB       SER  13  12.760   0.620  -1.066
   95    HG   SER  13           HG       SER  13  14.567   0.286   0.293
   96    H    LYS  14           HN       LYS  14  12.844   3.086   1.389
   97    HA   LYS  14           HA       LYS  14  10.568   4.528   0.448
   98   1HB   LYS  14          2HB       LYS  14  13.469   5.386   0.596
   99   2HB   LYS  14          3HB       LYS  14  12.066   6.437   0.364
  100   1HG   LYS  14          2HG       LYS  14  11.185   5.521   2.616
  101   2HG   LYS  14          3HG       LYS  14  12.792   4.866   2.884
  102   1HD   LYS  14          2HD       LYS  14  12.134   7.804   2.317
  103   2HD   LYS  14          3HD       LYS  14  12.410   7.156   3.928
  104   1HE   LYS  14          2HE       LYS  14  14.494   7.008   1.684
  105   2HE   LYS  14          3HE       LYS  14  14.318   8.401   2.738
  106   1HZ   LYS  14          2HZ       LYS  14  14.733   5.731   3.902
  107   2HZ   LYS  14          3HZ       LYS  14  15.977   6.676   3.393
  108   3HZ   LYS  14          1HZ       LYS  14  14.929   7.203   4.578
  109    H    THR  15           HN       THR  15  10.161   5.159  -1.539
  110    HA   THR  15           HA       THR  15  10.082   5.241  -3.771
  111    HB   THR  15           HB       THR  15  11.885   6.132  -4.939
  112    HG1  THR  15          1HG       THR  15  13.414   4.498  -4.366
  113   1HG2  THR  15          2HG2      THR  15  11.072   7.468  -2.901
  114   2HG2  THR  15          3HG2      THR  15  12.515   6.890  -2.038
  115   3HG2  THR  15          1HG2      THR  15  12.692   7.882  -3.483
  116    H    ALA  16           HN       ALA  16  10.204   2.577  -2.497
  117    HA   ALA  16           HA       ALA  16  11.818   0.796  -3.976
  118   1HB   ALA  16          3HB       ALA  16  10.572   0.166  -1.902
  119   2HB   ALA  16          1HB       ALA  16   9.053   0.207  -2.818
  120   3HB   ALA  16          2HB       ALA  16  10.328  -0.956  -3.226
  121    H    GLU  17           HN       GLU  17  11.267  -0.648  -5.698
  122    HA   GLU  17           HA       GLU  17   9.766   0.568  -7.821
  123   1HB   GLU  17          2HB       GLU  17  11.878  -1.019  -7.752
  124   2HB   GLU  17          3HB       GLU  17  10.689  -2.326  -7.793
  125   1HG   GLU  17          2HG       GLU  17  10.762   0.022  -9.757
  126   2HG   GLU  17          3HG       GLU  17  11.771  -1.396  -9.987
  127    H    GLU  18           HN       GLU  18   7.753  -0.066  -8.632
  128    HA   GLU  18           HA       GLU  18   5.822  -0.948  -6.887
  129   1HB   GLU  18          2HB       GLU  18   5.876  -1.039  -9.917
  130   2HB   GLU  18          3HB       GLU  18   4.438  -1.241  -8.902
  131   1HG   GLU  18          2HG       GLU  18   4.237   1.004  -9.231
  132   2HG   GLU  18          3HG       GLU  18   5.284   1.081  -7.817
  133    H    ARG  19           HN       ARG  19   7.986  -3.043  -8.812
  134    HA   ARG  19           HA       ARG  19   6.540  -5.500  -8.477
  135   1HB   ARG  19          2HB       ARG  19   8.509  -5.189  -9.930
  136   2HB   ARG  19          3HB       ARG  19   9.550  -5.045  -8.497
  137   1HG   ARG  19          2HG       ARG  19   8.982  -7.361  -7.877
  138   2HG   ARG  19          3HG       ARG  19   7.876  -7.469  -9.270
  139   1HD   ARG  19          2HD       ARG  19  10.872  -6.948  -9.470
  140   2HD   ARG  19          3HD       ARG  19  10.092  -8.539  -9.628
  141    HE   ARG  19           HE       ARG  19   9.333  -6.250 -11.428
  142   1HH1  ARG  19          2HH2      ARG  19  11.508  -8.962 -11.118
  143   2HH1  ARG  19          1HH2      ARG  19  11.485  -9.363 -12.805
  144   1HH2  ARG  19          2HH1      ARG  19   9.112  -6.821 -13.604
  145   2HH2  ARG  19          1HH1      ARG  19  10.232  -7.934 -14.302
  146    H    GLU  20           HN       GLU  20   8.709  -3.625  -6.391
  147    HA   GLU  20           HA       GLU  20   8.943  -5.709  -4.384
  148   1HB   GLU  20          2HB       GLU  20  10.736  -4.086  -4.897
  149   2HB   GLU  20          3HB       GLU  20   9.725  -2.787  -4.285
  150   1HG   GLU  20          2HG       GLU  20   9.615  -3.777  -2.085
  151   2HG   GLU  20          3HG       GLU  20  10.478  -5.230  -2.621
  152    H    ILE  21           HN       ILE  21   7.028  -2.716  -4.955
  153    HA   ILE  21           HA       ILE  21   5.581  -2.803  -2.504
  154    HB   ILE  21           HB       ILE  21   4.566  -2.033  -5.283
  155   1HG1  ILE  21          2HG1      ILE  21   6.483  -0.642  -4.334
  156   2HG1  ILE  21          3HG1      ILE  21   5.004   0.224  -4.742
  157   1HG2  ILE  21          3HG2      ILE  21   3.261  -1.733  -2.567
  158   2HG2  ILE  21          1HG2      ILE  21   2.821  -0.764  -3.986
  159   3HG2  ILE  21          2HG2      ILE  21   2.629  -2.523  -4.014
  160   1HD1  ILE  21          2HD1      ILE  21   5.643  -0.758  -1.943
  161   2HD1  ILE  21          3HD1      ILE  21   5.991   0.867  -2.508
  162   3HD1  ILE  21          1HD1      ILE  21   4.325   0.316  -2.400
  163    H    ARG  22           HN       ARG  22   5.090  -4.629  -5.546
  164    HA   ARG  22           HA       ARG  22   2.833  -6.038  -4.716
  165   1HB   ARG  22          2HB       ARG  22   4.539  -6.180  -6.933
  166   2HB   ARG  22          3HB       ARG  22   4.737  -7.753  -6.147
  167   1HG   ARG  22          2HG       ARG  22   2.978  -8.033  -7.677
  168   2HG   ARG  22          3HG       ARG  22   2.188  -7.919  -6.097
  169   1HD   ARG  22          2HD       ARG  22   1.823  -5.393  -6.646
  170   2HD   ARG  22          3HD       ARG  22   2.501  -5.727  -8.212
  171    HE   ARG  22           HE       ARG  22   0.630  -6.749  -8.947
  172   1HH1  ARG  22          2HH2      ARG  22   0.276  -6.027  -5.457
  173   2HH1  ARG  22          1HH2      ARG  22  -1.450  -6.382  -5.489
  174   1HH2  ARG  22          2HH1      ARG  22  -1.689  -7.166  -8.844
  175   2HH2  ARG  22          1HH1      ARG  22  -2.492  -6.990  -7.284
  176    H    LYS  23           HN       LYS  23   6.318  -6.867  -4.080
  177    HA   LYS  23           HA       LYS  23   5.918  -9.217  -2.645
  178   1HB   LYS  23          2HB       LYS  23   8.104  -7.150  -2.613
  179   2HB   LYS  23          3HB       LYS  23   7.982  -8.241  -1.252
  180   1HG   LYS  23          2HG       LYS  23   9.557  -9.115  -2.731
  181   2HG   LYS  23          3HG       LYS  23   8.162 -10.204  -2.731
  182   1HD   LYS  23          2HD       LYS  23   7.420  -9.470  -4.836
  183   2HD   LYS  23          3HD       LYS  23   8.365  -7.992  -4.785
  184   1HE   LYS  23          2HE       LYS  23   9.521 -10.810  -5.090
  185   2HE   LYS  23          3HE       LYS  23   9.315  -9.628  -6.387
  186   1HZ   LYS  23          3HZ       LYS  23  10.914  -8.173  -5.168
  187   2HZ   LYS  23          1HZ       LYS  23  11.224  -9.400  -4.125
  188   3HZ   LYS  23          2HZ       LYS  23  11.516  -9.584  -5.701
  189    H    ALA  24           HN       ALA  24   6.260  -5.866  -1.407
  190    HA   ALA  24           HA       ALA  24   5.884  -6.453   1.315
  191   1HB   ALA  24          3HB       ALA  24   5.325  -3.929  -0.260
  192   2HB   ALA  24          1HB       ALA  24   5.289  -4.031   1.520
  193   3HB   ALA  24          2HB       ALA  24   6.793  -4.367   0.644
  194    H    TYR  25           HN       TYR  25   3.450  -5.497  -1.136
  195    HA   TYR  25           HA       TYR  25   1.208  -5.355   0.517
  196   1HB   TYR  25          2HB       TYR  25   1.246  -4.608  -1.799
  197   2HB   TYR  25          3HB       TYR  25   1.572  -6.234  -2.375
  198    HD1  TYR  25           HD1      TYR  25  -1.044  -3.943  -1.131
  199    HD2  TYR  25           HD2      TYR  25  -0.186  -7.914  -2.572
  200    HE1  TYR  25           HE1      TYR  25  -3.458  -4.321  -1.536
  201    HE2  TYR  25           HE2      TYR  25  -2.593  -8.278  -2.996
  202    HH   TYR  25           HH       TYR  25  -4.748  -7.365  -2.911
  203    H    LYS  26           HN       LYS  26   2.558  -8.254  -1.134
  204    HA   LYS  26           HA       LYS  26   0.691 -10.083  -0.170
  205   1HB   LYS  26          2HB       LYS  26   3.619 -10.502  -0.866
  206   2HB   LYS  26          3HB       LYS  26   2.459 -11.800  -0.608
  207   1HG   LYS  26          2HG       LYS  26   2.028  -9.667  -2.736
  208   2HG   LYS  26          3HG       LYS  26   3.020 -11.097  -3.007
  209   1HD   LYS  26          2HD       LYS  26   1.016 -12.519  -2.390
  210   2HD   LYS  26          3HD       LYS  26   0.050 -11.039  -2.312
  211   1HE   LYS  26          2HE       LYS  26   0.648 -10.532  -4.692
  212   2HE   LYS  26          3HE       LYS  26   1.619 -12.014  -4.762
  213   1HZ   LYS  26          2HZ       LYS  26  -0.393 -13.269  -4.381
  214   2HZ   LYS  26          3HZ       LYS  26  -1.291 -11.885  -4.349
  215   3HZ   LYS  26          1HZ       LYS  26  -0.529 -12.333  -5.730
  216    H    ARG  27           HN       ARG  27   3.930  -9.172   1.138
  217    HA   ARG  27           HA       ARG  27   3.889 -10.876   3.390
  218   1HB   ARG  27          2HB       ARG  27   5.314  -8.257   2.799
  219   2HB   ARG  27          3HB       ARG  27   5.312  -8.908   4.441
  220   1HG   ARG  27          2HG       ARG  27   6.166 -11.084   3.591
  221   2HG   ARG  27          3HG       ARG  27   6.369 -10.367   1.984
  222   1HD   ARG  27          2HD       ARG  27   7.603  -9.188   4.537
  223   2HD   ARG  27          3HD       ARG  27   8.392 -10.447   3.607
  224    HE   ARG  27           HE       ARG  27   8.418  -9.060   1.638
  225   1HH1  ARG  27          2HH2      ARG  27   8.069  -7.213   4.633
  226   2HH1  ARG  27          1HH2      ARG  27   9.472  -6.233   4.376
  227   1HH2  ARG  27          2HH1      ARG  27   9.996  -7.479   1.074
  228   2HH2  ARG  27          1HH1      ARG  27  10.414  -6.227   2.222
  229    H    LEU  28           HN       LEU  28   2.818  -7.416   3.226
  230    HA   LEU  28           HA       LEU  28   1.902  -7.166   5.840
  231   1HB   LEU  28          2HB       LEU  28   1.284  -5.955   3.134
  232   2HB   LEU  28          3HB       LEU  28   0.211  -5.622   4.468
  233    HG   LEU  28           HG       LEU  28   1.922  -3.940   4.055
  234   1HD1  LEU  28          3HD1      LEU  28   0.738  -4.203   6.296
  235   2HD1  LEU  28          1HD1      LEU  28   2.141  -5.120   6.856
  236   3HD1  LEU  28          2HD1      LEU  28   2.316  -3.420   6.402
  237   1HD2  LEU  28          1HD2      LEU  28   3.879  -5.947   5.182
  238   2HD2  LEU  28          2HD2      LEU  28   3.911  -5.173   3.577
  239   3HD2  LEU  28          3HD2      LEU  28   4.180  -4.207   5.024
  240    H    ALA  29           HN       ALA  29   0.163  -8.386   2.899
  241    HA   ALA  29           HA       ALA  29  -2.353  -8.593   4.085
  242   1HB   ALA  29          3HB       ALA  29  -1.780  -9.061   1.618
  243   2HB   ALA  29          1HB       ALA  29  -1.216 -10.650   2.120
  244   3HB   ALA  29          2HB       ALA  29  -2.910 -10.203   2.365
  245    H    MET  30           HN       MET  30   0.253 -11.010   3.901
  246    HA   MET  30           HA       MET  30  -1.046 -12.990   5.505
  247   1HB   MET  30          2HB       MET  30   1.857 -12.608   4.721
  248   2HB   MET  30          3HB       MET  30   1.181 -14.088   5.433
  249   1HG   MET  30          2HG       MET  30  -0.269 -14.416   3.510
  250   2HG   MET  30          3HG       MET  30   0.197 -12.862   2.819
  251   1HE   MET  30          3HE       MET  30   0.679 -13.716   0.540
  252   2HE   MET  30          1HE       MET  30   1.698 -15.129   0.183
  253   3HE   MET  30          2HE       MET  30   0.159 -15.338   1.063
  254    H    LYS  31           HN       LYS  31   0.449 -10.026   6.427
  255    HA   LYS  31           HA       LYS  31   1.407 -10.959   8.975
  256   1HB   LYS  31          2HB       LYS  31   2.387  -9.042   7.555
  257   2HB   LYS  31          3HB       LYS  31   1.066  -8.056   8.203
  258   1HG   LYS  31          2HG       LYS  31   1.852  -8.634  10.530
  259   2HG   LYS  31          3HG       LYS  31   3.102  -9.651   9.821
  260   1HD   LYS  31          2HD       LYS  31   4.214  -7.656  10.390
  261   2HD   LYS  31          3HD       LYS  31   4.055  -7.658   8.634
  262   1HE   LYS  31          2HE       LYS  31   3.558  -5.432   9.330
  263   2HE   LYS  31          3HE       LYS  31   1.982  -6.139   8.954
  264   1HZ   LYS  31          2HZ       LYS  31   1.683  -6.513  11.350
  265   2HZ   LYS  31          3HZ       LYS  31   3.129  -5.809  11.663
  266   3HZ   LYS  31          1HZ       LYS  31   1.898  -4.947  10.961
  267    H    TYR  32           HN       TYR  32  -1.256  -8.796   7.789
  268    HA   TYR  32           HA       TYR  32  -2.589  -9.021  10.436
  269   1HB   TYR  32          2HB       TYR  32  -3.970  -7.252   9.739
  270   2HB   TYR  32          3HB       TYR  32  -2.300  -6.760   9.537
  271    HD1  TYR  32           HD1      TYR  32  -5.542  -7.378   7.879
  272    HD2  TYR  32           HD2      TYR  32  -1.409  -6.333   7.266
  273    HE1  TYR  32           HE1      TYR  32  -5.946  -7.240   5.464
  274    HE2  TYR  32           HE2      TYR  32  -1.865  -6.107   4.826
  275    HH   TYR  32           HH       TYR  32  -4.941  -7.000   3.376
  276    H    HIS  33           HN       HIS  33  -2.267 -11.275   8.534
  277    HA   HIS  33           HA       HIS  33  -4.536 -11.659   7.073
  278   1HB   HIS  33          2HB       HIS  33  -2.307 -13.171   7.629
  279   2HB   HIS  33          3HB       HIS  33  -3.558 -14.144   8.379
  280    HD1  HIS  33           HD1      HIS  33  -3.113 -16.025   6.516
  281    HD2  HIS  33           HD2      HIS  33  -4.108 -12.229   4.984
  282    HE1  HIS  33           HE1      HIS  33  -3.350 -16.273   4.004
  283    HA   PRO  34           HA       PRO  34  -7.478 -11.668  10.368
  284   1HB   PRO  34          2HB       PRO  34  -9.801 -11.988   8.992
  285   2HB   PRO  34          3HB       PRO  34  -8.732 -10.579   8.763
  286   1HG   PRO  34          2HG       PRO  34  -8.814 -13.016   6.975
  287   2HG   PRO  34          3HG       PRO  34  -8.882 -11.284   6.538
  288   1HD   PRO  34          2HD       PRO  34  -6.553 -12.661   6.492
  289   2HD   PRO  34          3HD       PRO  34  -6.648 -10.941   7.005
  290    H    ASP  35           HN       ASP  35  -7.768 -13.296  11.891
  291    HA   ASP  35           HA       ASP  35  -8.181 -16.075  11.021
  292   1HB   ASP  35          2HB       ASP  35  -7.677 -16.655  13.225
  293   2HB   ASP  35          3HB       ASP  35  -6.487 -15.449  12.763
  294    H    ARG  36           HN       ARG  36  -9.751 -16.027  13.840
  295    HA   ARG  36           HA       ARG  36 -12.433 -15.860  12.620
  296   1HB   ARG  36          2HB       ARG  36 -13.172 -16.425  14.974
  297   2HB   ARG  36          3HB       ARG  36 -12.191 -17.610  14.139
  298   1HG   ARG  36          2HG       ARG  36 -10.376 -15.929  15.673
  299   2HG   ARG  36          3HG       ARG  36 -11.733 -16.344  16.674
  300   1HD   ARG  36          2HD       ARG  36 -10.020 -18.026  16.965
  301   2HD   ARG  36          3HD       ARG  36 -11.450 -18.737  16.234
  302    HE   ARG  36           HE       ARG  36 -10.326 -19.044  14.182
  303   1HH1  ARG  36          2HH2      ARG  36  -8.116 -17.019  16.034
  304   2HH1  ARG  36          1HH2      ARG  36  -6.750 -18.018  15.699
  305   1HH2  ARG  36          2HH1      ARG  36  -8.341 -19.489  13.026
  306   2HH2  ARG  36          1HH1      ARG  36  -6.836 -19.179  13.816
  307    H    ASN  37           HN       ASN  37 -11.149 -13.367  12.361
  308    HA   ASN  37           HA       ASN  37 -11.784 -11.741  14.727
  309   1HB   ASN  37          2HB       ASN  37  -9.626 -11.626  13.329
  310   2HB   ASN  37          3HB       ASN  37 -10.562 -10.680  12.176
  311   1HD2  ASN  37          2HD2      ASN  37  -9.038  -8.841  15.381
  312   2HD2  ASN  37          1HD2      ASN  37  -8.523 -10.426  14.791
  313    H    GLN  38           HN       GLN  38 -13.996 -12.547  14.182
  314    HA   GLN  38           HA       GLN  38 -15.651 -11.338  12.193
  315   1HB   GLN  38          2HB       GLN  38 -16.093 -13.283  13.889
  316   2HB   GLN  38          3HB       GLN  38 -16.556 -12.013  15.023
  317   1HG   GLN  38          2HG       GLN  38 -17.791 -12.561  12.284
  318   2HG   GLN  38          3HG       GLN  38 -18.461 -13.082  13.831
  319   1HE2  GLN  38          2HE2      GLN  38 -19.738  -9.614  12.507
  320   2HE2  GLN  38          1HE2      GLN  38 -19.122 -10.934  11.517
  321    H    GLY  39           HN       GLY  39 -16.686  -9.265  12.159
  322   1HA   GLY  39          1HA       GLY  39 -17.344  -7.230  12.903
  323   2HA   GLY  39          2HA       GLY  39 -16.958  -7.715  14.554
  324    H    ASP  40           HN       ASP  40 -14.271  -7.999  12.321
  325    HA   ASP  40           HA       ASP  40 -12.833  -5.950  13.537
  326   1HB   ASP  40          2HB       ASP  40 -12.050  -7.961  12.019
  327   2HB   ASP  40          3HB       ASP  40 -12.133  -6.757  10.722
  328    H    LYS  41           HN       LYS  41 -11.799  -4.217  11.933
  329    HA   LYS  41           HA       LYS  41 -13.591  -2.696  10.206
  330   1HB   LYS  41          2HB       LYS  41 -14.708  -2.237  12.284
  331   2HB   LYS  41          3HB       LYS  41 -13.188  -2.049  13.150
  332   1HG   LYS  41          2HG       LYS  41 -12.706   0.009  11.739
  333   2HG   LYS  41          3HG       LYS  41 -14.371  -0.056  11.175
  334   1HD   LYS  41          2HD       LYS  41 -13.597  -0.062  14.152
  335   2HD   LYS  41          3HD       LYS  41 -13.644   1.418  13.226
  336   1HE   LYS  41          2HE       LYS  41 -15.732   1.036  14.526
  337   2HE   LYS  41          3HE       LYS  41 -16.001   1.263  12.792
  338   1HZ   LYS  41          1HZ       LYS  41 -15.961  -1.412  14.086
  339   2HZ   LYS  41          2HZ       LYS  41 -17.285  -0.517  13.786
  340   3HZ   LYS  41          3HZ       LYS  41 -16.396  -1.011  12.527
  341    H    GLU  42           HN       GLU  42 -11.049  -2.344  12.717
  342    HA   GLU  42           HA       GLU  42  -9.540  -0.479  11.176
  343   1HB   GLU  42          2HB       GLU  42  -8.768  -2.132  13.598
  344   2HB   GLU  42          3HB       GLU  42  -7.811  -0.814  12.912
  345   1HG   GLU  42          2HG       GLU  42 -10.587   0.090  13.255
  346   2HG   GLU  42          3HG       GLU  42 -10.010  -0.601  14.761
  347    H    ALA  43           HN       ALA  43  -9.059  -4.126  11.651
  348    HA   ALA  43           HA       ALA  43  -6.831  -4.195  10.134
  349   1HB   ALA  43          3HB       ALA  43  -7.656  -6.150  11.339
  350   2HB   ALA  43          1HB       ALA  43  -8.970  -6.308  10.130
  351   3HB   ALA  43          2HB       ALA  43  -7.280  -6.539   9.656
  352    H    GLU  44           HN       GLU  44 -10.223  -4.008   9.168
  353    HA   GLU  44           HA       GLU  44  -9.912  -4.627   6.396
  354   1HB   GLU  44          2HB       GLU  44 -12.090  -4.443   7.878
  355   2HB   GLU  44          3HB       GLU  44 -12.049  -2.734   7.425
  356   1HG   GLU  44          2HG       GLU  44 -11.877  -3.531   4.985
  357   2HG   GLU  44          3HG       GLU  44 -12.204  -5.148   5.595
  358    H    ALA  45           HN       ALA  45 -10.135  -1.456   8.160
  359    HA   ALA  45           HA       ALA  45  -9.617   0.068   5.886
  360   1HB   ALA  45          3HB       ALA  45  -9.152   0.680   8.826
  361   2HB   ALA  45          1HB       ALA  45  -9.051   1.881   7.514
  362   3HB   ALA  45          2HB       ALA  45 -10.587   1.068   7.849
  363    H    LYS  46           HN       LYS  46  -7.476  -1.523   8.168
  364    HA   LYS  46           HA       LYS  46  -5.048  -0.352   7.348
  365   1HB   LYS  46          2HB       LYS  46  -5.471  -1.686   9.392
  366   2HB   LYS  46          3HB       LYS  46  -5.409  -3.179   8.439
  367   1HG   LYS  46          2HG       LYS  46  -3.125  -2.816   7.840
  368   2HG   LYS  46          3HG       LYS  46  -3.146  -1.151   8.420
  369   1HD   LYS  46          2HD       LYS  46  -3.253  -3.668  10.146
  370   2HD   LYS  46          3HD       LYS  46  -1.920  -2.512   9.978
  371   1HE   LYS  46          2HE       LYS  46  -3.818  -0.757  10.753
  372   2HE   LYS  46          3HE       LYS  46  -4.546  -2.207  11.455
  373   1HZ   LYS  46          2HZ       LYS  46  -2.401  -2.503  12.668
  374   2HZ   LYS  46          3HZ       LYS  46  -1.922  -1.016  12.051
  375   3HZ   LYS  46          1HZ       LYS  46  -3.221  -1.114  13.004
  376    H    PHE  47           HN       PHE  47  -6.813  -3.272   6.187
  377    HA   PHE  47           HA       PHE  47  -5.035  -3.862   4.026
  378   1HB   PHE  47          2HB       PHE  47  -6.854  -5.396   4.644
  379   2HB   PHE  47          3HB       PHE  47  -8.051  -4.192   4.260
  380    HD1  PHE  47          1HD       PHE  47  -5.184  -4.728   1.923
  381    HD2  PHE  47          2HD       PHE  47  -9.340  -5.573   2.822
  382    HE1  PHE  47          1HE       PHE  47  -5.557  -5.438  -0.390
  383    HE2  PHE  47          2HE       PHE  47  -9.654  -6.385   0.508
  384    HZ   PHE  47           HZ       PHE  47  -7.760  -6.327  -1.105
  385    H    LYS  48           HN       LYS  48  -7.658  -1.430   4.410
  386    HA   LYS  48           HA       LYS  48  -7.674  -0.786   1.640
  387   1HB   LYS  48          2HB       LYS  48  -8.665   0.904   3.952
  388   2HB   LYS  48          3HB       LYS  48  -8.878   1.289   2.242
  389   1HG   LYS  48          2HG       LYS  48 -10.060  -0.795   1.822
  390   2HG   LYS  48          3HG       LYS  48  -9.710  -1.343   3.449
  391   1HD   LYS  48          2HD       LYS  48 -11.047   0.901   4.127
  392   2HD   LYS  48          3HD       LYS  48 -11.686   0.729   2.485
  393   1HE   LYS  48          2HE       LYS  48 -12.188  -1.759   3.152
  394   2HE   LYS  48          3HE       LYS  48 -11.800  -1.258   4.811
  395   1HZ   LYS  48          1HZ       LYS  48 -13.590   0.416   4.550
  396   2HZ   LYS  48          2HZ       LYS  48 -13.989  -0.280   3.122
  397   3HZ   LYS  48          3HZ       LYS  48 -14.082  -1.175   4.530
  398    H    GLU  49           HN       GLU  49  -5.843   0.668   4.436
  399    HA   GLU  49           HA       GLU  49  -4.780   2.742   2.798
  400   1HB   GLU  49          2HB       GLU  49  -3.459   3.328   4.618
  401   2HB   GLU  49          3HB       GLU  49  -4.998   2.795   5.297
  402   1HG   GLU  49          2HG       GLU  49  -3.956   0.628   5.825
  403   2HG   GLU  49          3HG       GLU  49  -2.403   1.197   5.233
  404    H    ILE  50           HN       ILE  50  -3.591  -0.507   3.753
  405    HA   ILE  50           HA       ILE  50  -1.033  -0.285   2.505
  406    HB   ILE  50           HB       ILE  50  -2.779  -2.706   3.053
  407   1HG1  ILE  50          2HG1      ILE  50  -0.349  -1.747   4.641
  408   2HG1  ILE  50          3HG1      ILE  50  -1.959  -1.175   5.034
  409   1HG2  ILE  50          2HG2      ILE  50  -0.912  -3.167   1.358
  410   2HG2  ILE  50          3HG2      ILE  50   0.243  -2.699   2.624
  411   3HG2  ILE  50          1HG2      ILE  50  -0.802  -4.104   2.834
  412   1HD1  ILE  50          1HD1      ILE  50  -2.741  -3.535   5.333
  413   2HD1  ILE  50          2HD1      ILE  50  -1.100  -4.067   4.999
  414   3HD1  ILE  50          3HD1      ILE  50  -1.408  -3.102   6.429
  415    H    LYS  51           HN       LYS  51  -4.261  -1.315   1.259
  416    HA   LYS  51           HA       LYS  51  -3.226  -1.912  -1.360
  417   1HB   LYS  51          2HB       LYS  51  -5.326  -2.836  -0.468
  418   2HB   LYS  51          3HB       LYS  51  -6.074  -1.240  -0.512
  419   1HG   LYS  51          2HG       LYS  51  -4.758  -2.336  -3.023
  420   2HG   LYS  51          3HG       LYS  51  -6.264  -3.052  -2.494
  421   1HD   LYS  51          2HD       LYS  51  -5.993  -0.030  -2.929
  422   2HD   LYS  51          3HD       LYS  51  -6.398  -1.130  -4.237
  423   1HE   LYS  51          2HE       LYS  51  -7.988  -0.979  -1.637
  424   2HE   LYS  51          3HE       LYS  51  -8.356  -0.012  -3.062
  425   1HZ   LYS  51          1HZ       LYS  51  -8.188  -2.952  -3.288
  426   2HZ   LYS  51          2HZ       LYS  51  -9.549  -2.218  -2.813
  427   3HZ   LYS  51          3HZ       LYS  51  -8.925  -1.839  -4.272
  428    H    GLU  52           HN       GLU  52  -4.554   0.986   0.234
  429    HA   GLU  52           HA       GLU  52  -4.953   2.585  -2.058
  430   1HB   GLU  52          2HB       GLU  52  -5.576   3.117   0.458
  431   2HB   GLU  52          3HB       GLU  52  -3.953   3.773   0.558
  432   1HG   GLU  52          2HG       GLU  52  -4.542   5.264  -1.405
  433   2HG   GLU  52          3HG       GLU  52  -6.191   4.609  -1.350
  434    H    ALA  53           HN       ALA  53  -2.116   2.289   0.130
  435    HA   ALA  53           HA       ALA  53  -0.294   3.855  -1.247
  436   1HB   ALA  53          3HB       ALA  53   0.079   1.220   0.191
  437   2HB   ALA  53          1HB       ALA  53   1.428   2.248  -0.344
  438   3HB   ALA  53          2HB       ALA  53   0.255   2.843   0.858
  439    H    TYR  54           HN       TYR  54  -1.078   0.391  -2.015
  440    HA   TYR  54           HA       TYR  54   0.791   0.283  -4.206
  441   1HB   TYR  54          2HB       TYR  54   0.042  -1.758  -3.195
  442   2HB   TYR  54          3HB       TYR  54  -1.644  -1.362  -3.485
  443    HD1  TYR  54           HD1      TYR  54   1.442  -1.499  -5.692
  444    HD2  TYR  54           HD2      TYR  54  -2.679  -2.649  -5.133
  445    HE1  TYR  54           HE1      TYR  54   1.542  -2.849  -7.749
  446    HE2  TYR  54           HE2      TYR  54  -2.621  -3.828  -7.301
  447    HH   TYR  54           HH       TYR  54  -1.356  -4.178  -9.273
  448    H    GLU  55           HN       GLU  55  -2.739   1.014  -4.090
  449    HA   GLU  55           HA       GLU  55  -3.280   0.950  -6.867
  450   1HB   GLU  55          2HB       GLU  55  -4.891   0.420  -5.252
  451   2HB   GLU  55          3HB       GLU  55  -4.462   1.826  -4.282
  452   1HG   GLU  55          2HG       GLU  55  -6.320   2.561  -4.932
  453   2HG   GLU  55          3HG       GLU  55  -5.310   3.238  -6.234
  454    H    VAL  56           HN       VAL  56  -2.403   3.394  -4.512
  455    HA   VAL  56           HA       VAL  56  -2.438   5.830  -5.995
  456    HB   VAL  56           HB       VAL  56  -1.094   4.784  -3.505
  457   1HG1  VAL  56          3HG1      VAL  56  -0.319   7.270  -4.925
  458   2HG1  VAL  56          1HG1      VAL  56  -0.482   7.264  -3.147
  459   3HG1  VAL  56          2HG1      VAL  56   0.624   6.150  -3.947
  460   1HG2  VAL  56          2HG2      VAL  56  -3.548   5.305  -3.584
  461   2HG2  VAL  56          3HG2      VAL  56  -2.647   6.334  -2.464
  462   3HG2  VAL  56          1HG2      VAL  56  -3.151   6.923  -4.091
  463    H    LEU  57           HN       LEU  57   0.252   3.676  -4.948
  464    HA   LEU  57           HA       LEU  57   2.249   5.037  -6.312
  465   1HB   LEU  57          2HB       LEU  57   2.135   2.222  -5.298
  466   2HB   LEU  57          3HB       LEU  57   3.575   2.869  -6.083
  467    HG   LEU  57           HG       LEU  57   2.293   4.280  -3.695
  468   1HD1  LEU  57          1HD1      LEU  57   2.987   1.964  -3.151
  469   2HD1  LEU  57          2HD1      LEU  57   4.598   2.322  -3.813
  470   3HD1  LEU  57          3HD1      LEU  57   4.029   3.160  -2.350
  471   1HD2  LEU  57          2HD2      LEU  57   4.993   4.541  -5.069
  472   2HD2  LEU  57          3HD2      LEU  57   3.743   5.790  -4.903
  473   3HD2  LEU  57          1HD2      LEU  57   4.606   5.227  -3.480
  474    H    THR  58           HN       THR  58   0.068   2.537  -7.508
  475    HA   THR  58           HA       THR  58   1.528   2.340 -10.045
  476    HB   THR  58           HB       THR  58  -0.299   0.851 -10.685
  477    HG1  THR  58          1HG       THR  58  -1.074   1.118  -7.949
  478   1HG2  THR  58          2HG2      THR  58   1.127   0.283  -8.017
  479   2HG2  THR  58          3HG2      THR  58   0.386  -0.930  -9.068
  480   3HG2  THR  58          1HG2      THR  58   1.778   0.011  -9.633
  481    H    ASP  59           HN       ASP  59   0.846   4.933  -9.264
  482    HA   ASP  59           HA       ASP  59   0.464   6.867 -10.282
  483   1HB   ASP  59          2HB       ASP  59   2.305   5.838 -11.449
  484   2HB   ASP  59          3HB       ASP  59   1.197   5.093 -12.616
  485    H    SER  60           HN       SER  60  -1.843   6.585  -9.629
  486    HA   SER  60           HA       SER  60  -3.542   7.231 -12.002
  487   1HB   SER  60          2HB       SER  60  -5.329   7.280 -10.195
  488   2HB   SER  60          3HB       SER  60  -4.601   5.703 -10.527
  489    HG   SER  60           HG       SER  60  -4.634   5.989  -8.326
  490    H    GLN  61           HN       GLN  61  -3.403   8.421  -8.690
  491    HA   GLN  61           HA       GLN  61  -3.056  11.225  -9.635
  492   1HB   GLN  61          2HB       GLN  61  -5.270  10.838  -8.895
  493   2HB   GLN  61          3HB       GLN  61  -4.775   9.909  -7.478
  494   1HG   GLN  61          2HG       GLN  61  -3.952  11.840  -6.363
  495   2HG   GLN  61          3HG       GLN  61  -3.960  12.777  -7.860
  496   1HE2  GLN  61          2HE2      GLN  61  -7.248  12.778  -5.463
  497   2HE2  GLN  61          1HE2      GLN  61  -5.646  12.295  -4.974
  498    H    LYS  62           HN       LYS  62  -2.896   9.516  -6.532
  499    HA   LYS  62           HA       LYS  62  -1.354  11.470  -5.331
  500   1HB   LYS  62          2HB       LYS  62  -1.949   8.594  -4.753
  501   2HB   LYS  62          3HB       LYS  62  -0.831   9.485  -3.687
  502   1HG   LYS  62          2HG       LYS  62  -2.520  11.069  -3.133
  503   2HG   LYS  62          3HG       LYS  62  -3.660  10.418  -4.331
  504   1HD   LYS  62          2HD       LYS  62  -4.150   8.526  -3.097
  505   2HD   LYS  62          3HD       LYS  62  -2.582   8.538  -2.240
  506   1HE   LYS  62          2HE       LYS  62  -3.278  10.510  -0.942
  507   2HE   LYS  62          3HE       LYS  62  -4.831  10.574  -1.802
  508   1HZ   LYS  62          2HZ       LYS  62  -3.947   8.430   0.053
  509   2HZ   LYS  62          3HZ       LYS  62  -4.956   9.666   0.352
  510   3HZ   LYS  62          1HZ       LYS  62  -5.417   8.480  -0.686
  511    H    ARG  63           HN       ARG  63  -0.181   8.645  -7.115
  512    HA   ARG  63           HA       ARG  63   2.594   8.942  -6.207
  513   1HB   ARG  63          2HB       ARG  63   1.596   6.893  -7.103
  514   2HB   ARG  63          3HB       ARG  63   1.825   7.531  -8.736
  515   1HG   ARG  63          2HG       ARG  63   4.105   7.365  -6.678
  516   2HG   ARG  63          3HG       ARG  63   3.640   5.980  -7.637
  517   1HD   ARG  63          2HD       ARG  63   3.943   7.481  -9.711
  518   2HD   ARG  63          3HD       ARG  63   4.798   8.555  -8.602
  519    HE   ARG  63           HE       ARG  63   6.614   7.138  -8.626
  520   1HH1  ARG  63          2HH2      ARG  63   3.821   5.144  -9.690
  521   2HH1  ARG  63          1HH2      ARG  63   4.874   3.884 -10.264
  522   1HH2  ARG  63          2HH1      ARG  63   7.888   5.251  -9.262
  523   2HH2  ARG  63          1HH1      ARG  63   7.018   3.895  -9.950
  524    H    ALA  64           HN       ALA  64   0.848   9.963  -9.214
  525    HA   ALA  64           HA       ALA  64   3.038  11.373 -10.284
  526   1HB   ALA  64          3HB       ALA  64   0.051  12.006 -10.517
  527   2HB   ALA  64          1HB       ALA  64   1.335  12.657 -11.553
  528   3HB   ALA  64          2HB       ALA  64   0.984  10.919 -11.573
  529    H    ALA  65           HN       ALA  65   0.494  12.536  -8.024
  530    HA   ALA  65           HA       ALA  65   1.396  15.153  -7.814
  531   1HB   ALA  65          2HB       ALA  65  -0.702  14.373  -6.792
  532   2HB   ALA  65          3HB       ALA  65   0.205  13.435  -5.600
  533   3HB   ALA  65          1HB       ALA  65   0.305  15.206  -5.601
  534    H    TYR  66           HN       TYR  66   2.560  12.230  -6.144
  535    HA   TYR  66           HA       TYR  66   4.377  13.637  -4.366
  536   1HB   TYR  66          2HB       TYR  66   3.930  11.688  -3.366
  537   2HB   TYR  66          3HB       TYR  66   3.536  10.866  -4.865
  538    HD1  TYR  66           HD1      TYR  66   6.382  11.820  -2.655
  539    HD2  TYR  66           HD2      TYR  66   5.064   9.500  -6.043
  540    HE1  TYR  66           HE1      TYR  66   8.507  10.549  -2.636
  541    HE2  TYR  66           HE2      TYR  66   7.137   8.215  -5.981
  542    HH   TYR  66           HH       TYR  66   9.177   7.910  -4.944
  543    H    ASP  67           HN       ASP  67   4.648  12.011  -7.513
  544    HA   ASP  67           HA       ASP  67   7.475  12.040  -7.673
  545   1HB   ASP  67          2HB       ASP  67   5.278  11.116  -9.242
  546   2HB   ASP  67          3HB       ASP  67   6.102  12.266 -10.278
  547    H    GLN  68           HN       GLN  68   4.917  14.223  -8.781
  548    HA   GLN  68           HA       GLN  68   6.435  16.004 -10.305
  549   1HB   GLN  68          2HB       GLN  68   4.035  15.553 -10.422
  550   2HB   GLN  68          3HB       GLN  68   3.765  16.387  -8.887
  551   1HG   GLN  68          2HG       GLN  68   5.083  17.697 -11.318
  552   2HG   GLN  68          3HG       GLN  68   3.337  17.570 -11.106
  553   1HE2  GLN  68          2HE2      GLN  68   5.352  20.421  -9.013
  554   2HE2  GLN  68          1HE2      GLN  68   6.130  19.436 -10.239
  555    H    TYR  69           HN       TYR  69   5.150  16.296  -6.951
  556    HA   TYR  69           HA       TYR  69   7.543  17.718  -6.101
  557   1HB   TYR  69          2HB       TYR  69   6.384  19.461  -7.455
  558   2HB   TYR  69          3HB       TYR  69   5.035  19.419  -6.337
  559    HD1  TYR  69           HD1      TYR  69   8.747  19.953  -6.611
  560    HD2  TYR  69           HD2      TYR  69   5.101  20.961  -4.582
  561    HE1  TYR  69           HE1      TYR  69   9.783  22.050  -5.778
  562    HE2  TYR  69           HE2      TYR  69   6.133  23.011  -3.707
  563    HH   TYR  69           HH       TYR  69   7.876  24.557  -4.334
  564    H    GLY  70           HN       GLY  70   6.680  15.525  -5.097
  565   1HA   GLY  70          1HA       GLY  70   5.911  14.527  -3.067
  566   2HA   GLY  70          2HA       GLY  70   7.352  15.422  -2.722
  567    H    HIS  71           HN       HIS  71   3.965  15.466  -2.569
  568    HA   HIS  71           HA       HIS  71   2.437  16.282  -1.073
  569   1HB   HIS  71          2HB       HIS  71   4.703  16.001   0.899
  570   2HB   HIS  71          3HB       HIS  71   2.971  15.922   1.214
  571    HD1  HIS  71           HD1      HIS  71   1.790  13.532   0.547
  572    HD2  HIS  71           HD2      HIS  71   5.855  13.951  -0.442
  573    HE1  HIS  71           HE1      HIS  71   2.610  11.236  -0.134
  574    H    ALA  72           HN       ALA  72   3.375  18.250  -2.587
  575    HA   ALA  72           HA       ALA  72   2.276  20.420  -1.093
  576   1HB   ALA  72          2HB       ALA  72   4.703  20.728  -0.434
  577   2HB   ALA  72          3HB       ALA  72   5.120  20.811  -2.154
  578   3HB   ALA  72          1HB       ALA  72   4.093  22.058  -1.422
  579    H    ALA  73           HN       ALA  73   1.611  18.753  -3.330
  580    HA   ALA  73           HA       ALA  73   2.141  20.379  -5.762
  581   1HB   ALA  73          2HB       ALA  73   3.323  18.197  -5.653
  582   2HB   ALA  73          3HB       ALA  73   1.787  17.367  -5.401
  583   3HB   ALA  73          1HB       ALA  73   2.089  18.209  -6.921
  584    H    PHE  74           HN       PHE  74  -0.084  17.970  -4.362
  585    HA   PHE  74           HA       PHE  74  -2.468  19.275  -5.523
  586   1HB   PHE  74          2HB       PHE  74  -1.107  17.574  -7.147
  587   2HB   PHE  74          3HB       PHE  74  -1.999  16.376  -6.243
  588    HD1  PHE  74          2HD       PHE  74  -2.189  19.303  -8.511
  589    HD2  PHE  74          1HD       PHE  74  -4.403  16.044  -6.733
  590    HE1  PHE  74          2HE       PHE  74  -3.981  19.596 -10.198
  591    HE2  PHE  74          1HE       PHE  74  -6.170  16.315  -8.452
  592    HZ   PHE  74           HZ       PHE  74  -5.944  18.057 -10.206
  593    H    GLU  75           HN       GLU  75  -1.650  18.997  -2.865
  594    HA   GLU  75           HA       GLU  75  -2.798  16.605  -1.630
  595   1HB   GLU  75          2HB       GLU  75  -1.282  19.050  -0.722
  596   2HB   GLU  75          3HB       GLU  75  -2.294  18.249   0.461
  597   1HG   GLU  75          2HG       GLU  75  -0.691  16.265  -0.992
  598   2HG   GLU  75          3HG       GLU  75   0.308  17.509  -0.203
  599    H    GLN  76           HN       GLN  76  -4.495  18.690  -3.217
  600    HA   GLN  76           HA       GLN  76  -6.462  19.705  -3.158
  601   1HB   GLN  76          2HB       GLN  76  -7.079  17.400  -3.060
  602   2HB   GLN  76          3HB       GLN  76  -6.968  17.382  -1.311
  603   1HG   GLN  76          2HG       GLN  76  -8.866  19.294  -2.714
  604   2HG   GLN  76          3HG       GLN  76  -9.286  17.578  -2.692
  605   1HE2  GLN  76          2HE2      GLN  76  -9.473  17.642   1.037
  606   2HE2  GLN  76          1HE2      GLN  76  -8.682  16.638  -0.174
   
  No H/Q in entry =         606
  Start of MODEL   15
    1   1H    ALA   2          1HN       ALA   2  -7.340  10.857   1.244
    2   2H    ALA   2          2HN       ALA   2  -7.366  11.481  -0.288
    3   3H    ALA   2          3HN       ALA   2  -6.809   9.957  -0.037
    4    HA   ALA   2           HA       ALA   2  -4.883  11.009  -0.309
    5   1HB   ALA   2          1HB       ALA   2  -6.054  13.338   1.248
    6   2HB   ALA   2          2HB       ALA   2  -4.390  13.248   0.634
    7   3HB   ALA   2          3HB       ALA   2  -5.733  13.258  -0.500
    8    H    LYS   3           HN       LYS   3  -3.053  10.585   0.963
    9    HA   LYS   3           HA       LYS   3  -3.015  10.964   3.728
   10   1HB   LYS   3          2HB       LYS   3  -4.199   8.682   3.711
   11   2HB   LYS   3          3HB       LYS   3  -2.777   8.044   2.914
   12   1HG   LYS   3          2HG       LYS   3  -2.627   7.452   5.199
   13   2HG   LYS   3          3HG       LYS   3  -1.366   8.597   4.853
   14   1HD   LYS   3          2HD       LYS   3  -2.325   9.107   7.028
   15   2HD   LYS   3          3HD       LYS   3  -2.686  10.420   5.933
   16   1HE   LYS   3          2HE       LYS   3  -4.648  10.017   7.232
   17   2HE   LYS   3          3HE       LYS   3  -5.007   9.464   5.603
   18   1HZ   LYS   3          2HZ       LYS   3  -4.325   7.153   6.576
   19   2HZ   LYS   3          3HZ       LYS   3  -4.609   7.832   8.024
   20   3HZ   LYS   3          1HZ       LYS   3  -5.788   7.766   6.940
   21    H    GLN   4           HN       GLN   4  -0.845  10.849   4.427
   22    HA   GLN   4           HA       GLN   4   0.987  11.410   2.233
   23   1HB   GLN   4          2HB       GLN   4   0.573  12.791   4.352
   24   2HB   GLN   4          3HB       GLN   4   1.426  11.523   5.235
   25   1HG   GLN   4          2HG       GLN   4   2.900  13.404   4.799
   26   2HG   GLN   4          3HG       GLN   4   3.471  12.030   3.862
   27   1HE2  GLN   4          2HE2      GLN   4   3.112  13.749   0.792
   28   2HE2  GLN   4          1HE2      GLN   4   3.561  12.263   1.540
   29    H    ASP   5           HN       ASP   5   3.123  10.513   2.142
   30    HA   ASP   5           HA       ASP   5   4.460   8.806   1.745
   31   1HB   ASP   5          2HB       ASP   5   5.131  10.228   3.662
   32   2HB   ASP   5          3HB       ASP   5   4.466   8.995   4.728
   33    H    TYR   6           HN       TYR   6   2.439   7.617   1.130
   34    HA   TYR   6           HA       TYR   6   1.632   5.287   2.405
   35   1HB   TYR   6          2HB       TYR   6   2.019   5.980  -0.538
   36   2HB   TYR   6          3HB       TYR   6   1.303   4.460  -0.021
   37    HD1  TYR   6           HD1      TYR   6  -0.517   4.798   1.982
   38    HD2  TYR   6           HD2      TYR   6   0.365   7.617  -1.156
   39    HE1  TYR   6           HE1      TYR   6  -2.815   5.585   2.071
   40    HE2  TYR   6           HE2      TYR   6  -2.002   8.382  -1.111
   41    HH   TYR   6           HH       TYR   6  -4.373   6.923   1.138
   42    H    TYR   7           HN       TYR   7   4.681   5.933   0.859
   43    HA   TYR   7           HA       TYR   7   5.577   3.288   0.327
   44   1HB   TYR   7          2HB       TYR   7   7.212   5.673   1.248
   45   2HB   TYR   7          3HB       TYR   7   7.782   4.257   0.366
   46    HD1  TYR   7           HD2      TYR   7   5.871   7.438   0.115
   47    HD2  TYR   7           HD1      TYR   7   7.400   4.047  -2.057
   48    HE1  TYR   7           HE2      TYR   7   5.452   8.621  -2.017
   49    HE2  TYR   7           HE1      TYR   7   7.186   5.334  -4.155
   50    HH   TYR   7           HH       TYR   7   6.347   8.585  -4.483
   51    H    GLU   8           HN       GLU   8   5.583   5.344   3.395
   52    HA   GLU   8           HA       GLU   8   7.184   3.472   4.801
   53   1HB   GLU   8          2HB       GLU   8   6.893   6.055   4.935
   54   2HB   GLU   8          3HB       GLU   8   5.336   5.750   5.698
   55   1HG   GLU   8          2HG       GLU   8   6.992   6.153   7.289
   56   2HG   GLU   8          3HG       GLU   8   6.415   4.453   7.412
   57    H    ILE   9           HN       ILE   9   3.786   4.370   4.401
   58    HA   ILE   9           HA       ILE   9   2.668   2.769   6.372
   59    HB   ILE   9           HB       ILE   9   1.450   3.552   3.709
   60   1HG1  ILE   9          2HG1      ILE   9   1.302   4.688   6.558
   61   2HG1  ILE   9          3HG1      ILE   9   2.143   5.435   5.198
   62   1HG2  ILE   9          2HG2      ILE   9   0.254   1.588   4.667
   63   2HG2  ILE   9          3HG2      ILE   9   0.084   2.491   6.191
   64   3HG2  ILE   9          1HG2      ILE   9  -0.729   3.036   4.705
   65   1HD1  ILE   9          3HD1      ILE   9  -0.041   5.647   4.010
   66   2HD1  ILE   9          1HD1      ILE   9  -0.854   5.082   5.492
   67   3HD1  ILE   9          2HD1      ILE   9   0.093   6.579   5.511
   68    H    LEU  10           HN       LEU  10   3.492   1.808   2.933
   69    HA   LEU  10           HA       LEU  10   2.738  -0.939   3.477
   70   1HB   LEU  10          2HB       LEU  10   4.261   0.491   1.294
   71   2HB   LEU  10          3HB       LEU  10   4.428  -1.251   1.472
   72    HG   LEU  10           HG       LEU  10   1.913  -1.493   1.400
   73   1HD1  LEU  10          3HD1      LEU  10   2.035   1.431   0.613
   74   2HD1  LEU  10          1HD1      LEU  10   0.664   0.321   0.390
   75   3HD1  LEU  10          2HD1      LEU  10   1.185   0.749   2.027
   76   1HD2  LEU  10          1HD2      LEU  10   3.210  -0.153  -0.990
   77   2HD2  LEU  10          2HD2      LEU  10   3.280  -1.883  -0.604
   78   3HD2  LEU  10          3HD2      LEU  10   1.735  -1.144  -1.031
   79    H    GLY  11           HN       GLY  11   5.819   0.890   3.573
   80   1HA   GLY  11          1HA       GLY  11   7.470   0.598   5.257
   81   2HA   GLY  11          2HA       GLY  11   6.854  -1.033   5.614
   82    H    VAL  12           HN       VAL  12   8.125   0.934   2.907
   83    HA   VAL  12           HA       VAL  12   9.855  -1.221   1.998
   84    HB   VAL  12           HB       VAL  12   7.564  -1.748   1.169
   85   1HG1  VAL  12          2HG1      VAL  12   6.723   0.583   0.886
   86   2HG1  VAL  12          3HG1      VAL  12   7.800   0.783  -0.512
   87   3HG1  VAL  12          1HG1      VAL  12   6.499  -0.422  -0.540
   88   1HG2  VAL  12          2HG2      VAL  12   9.492  -2.541  -0.070
   89   2HG2  VAL  12          3HG2      VAL  12   8.082  -2.236  -1.100
   90   3HG2  VAL  12          1HG2      VAL  12   9.421  -1.089  -1.093
   91    H    SER  13           HN       SER  13  10.969  -0.369  -0.067
   92    HA   SER  13           HA       SER  13  12.263   2.039   0.698
   93   1HB   SER  13          2HB       SER  13  12.559  -0.149  -1.258
   94   2HB   SER  13          3HB       SER  13  12.756   1.389  -2.033
   95    HG   SER  13           HG       SER  13  14.720   0.743  -1.152
   96    H    LYS  14           HN       LYS  14  12.093   4.139  -0.153
   97    HA   LYS  14           HA       LYS  14   9.549   4.831  -1.289
   98   1HB   LYS  14          2HB       LYS  14  12.005   6.328  -0.408
   99   2HB   LYS  14          3HB       LYS  14  10.748   7.175  -1.312
  100   1HG   LYS  14          2HG       LYS  14   9.123   6.892   0.318
  101   2HG   LYS  14          3HG       LYS  14   9.780   5.344   0.837
  102   1HD   LYS  14          2HD       LYS  14  11.694   6.618   1.921
  103   2HD   LYS  14          3HD       LYS  14  10.686   8.081   1.721
  104   1HE   LYS  14          2HE       LYS  14   8.825   6.977   2.954
  105   2HE   LYS  14          3HE       LYS  14   9.721   5.459   3.025
  106   1HZ   LYS  14          2HZ       LYS  14  11.396   6.675   4.378
  107   2HZ   LYS  14          3HZ       LYS  14  10.254   7.877   4.556
  108   3HZ   LYS  14          1HZ       LYS  14   9.915   6.367   5.019
  109    H    THR  15           HN       THR  15  12.670   4.119  -2.660
  110    HA   THR  15           HA       THR  15  11.809   4.891  -5.354
  111    HB   THR  15           HB       THR  15  14.081   3.710  -5.843
  112    HG1  THR  15          1HG       THR  15  15.307   3.227  -4.119
  113   1HG2  THR  15          1HG2      THR  15  13.912   6.083  -3.914
  114   2HG2  THR  15          2HG2      THR  15  15.322   5.654  -4.915
  115   3HG2  THR  15          3HG2      THR  15  13.787   6.141  -5.670
  116    H    ALA  16           HN       ALA  16  10.647   2.460  -3.511
  117    HA   ALA  16           HA       ALA  16  11.263   0.085  -4.926
  118   1HB   ALA  16          2HB       ALA  16   8.825   0.866  -3.278
  119   2HB   ALA  16          3HB       ALA  16   9.187  -0.776  -3.788
  120   3HB   ALA  16          1HB       ALA  16  10.322   0.059  -2.720
  121    H    GLU  17           HN       GLU  17  10.825  -0.358  -7.073
  122    HA   GLU  17           HA       GLU  17   8.914   0.921  -8.676
  123   1HB   GLU  17          2HB       GLU  17  10.939  -0.609  -9.239
  124   2HB   GLU  17          3HB       GLU  17   9.874  -1.980  -8.887
  125   1HG   GLU  17          2HG       GLU  17   8.325  -1.146 -10.629
  126   2HG   GLU  17          3HG       GLU  17   9.423   0.235 -10.913
  127    H    GLU  18           HN       GLU  18   6.836  -0.016  -9.415
  128    HA   GLU  18           HA       GLU  18   5.138  -0.898  -7.385
  129   1HB   GLU  18          2HB       GLU  18   4.537  -0.005  -9.662
  130   2HB   GLU  18          3HB       GLU  18   4.839  -1.614 -10.342
  131   1HG   GLU  18          2HG       GLU  18   2.978  -1.298  -7.957
  132   2HG   GLU  18          3HG       GLU  18   2.432  -0.793  -9.556
  133    H    ARG  19           HN       ARG  19   7.199  -2.755  -9.620
  134    HA   ARG  19           HA       ARG  19   6.395  -5.371  -9.100
  135   1HB   ARG  19          2HB       ARG  19   8.558  -4.048 -10.378
  136   2HB   ARG  19          3HB       ARG  19   9.312  -5.190  -9.279
  137   1HG   ARG  19          2HG       ARG  19   7.092  -5.973 -11.219
  138   2HG   ARG  19          3HG       ARG  19   8.797  -5.971 -11.680
  139   1HD   ARG  19          2HD       ARG  19   9.350  -7.760 -10.384
  140   2HD   ARG  19          3HD       ARG  19   8.184  -7.363  -9.127
  141    HE   ARG  19           HE       ARG  19   6.383  -8.308 -10.341
  142   1HH1  ARG  19          2HH2      ARG  19   9.309  -8.803 -12.247
  143   2HH1  ARG  19          1HH2      ARG  19   8.872 -10.418 -12.703
  144   1HH2  ARG  19          2HH1      ARG  19   5.722 -10.312 -11.239
  145   2HH2  ARG  19          1HH1      ARG  19   6.890 -11.367 -11.948
  146    H    GLU  20           HN       GLU  20   8.285  -3.226  -7.027
  147    HA   GLU  20           HA       GLU  20   8.969  -5.335  -5.084
  148   1HB   GLU  20          2HB       GLU  20  10.597  -3.611  -5.730
  149   2HB   GLU  20          3HB       GLU  20   9.512  -2.382  -5.131
  150   1HG   GLU  20          2HG       GLU  20  11.092  -2.694  -3.433
  151   2HG   GLU  20          3HG       GLU  20   9.698  -3.593  -2.831
  152    H    ILE  21           HN       ILE  21   6.807  -2.491  -5.483
  153    HA   ILE  21           HA       ILE  21   5.522  -2.591  -2.951
  154    HB   ILE  21           HB       ILE  21   4.475  -1.906  -5.707
  155   1HG1  ILE  21          2HG1      ILE  21   6.354  -0.453  -4.724
  156   2HG1  ILE  21          3HG1      ILE  21   4.862   0.363  -5.215
  157   1HG2  ILE  21          2HG2      ILE  21   3.034  -1.567  -3.106
  158   2HG2  ILE  21          3HG2      ILE  21   2.676  -0.598  -4.567
  159   3HG2  ILE  21          1HG2      ILE  21   2.546  -2.348  -4.622
  160   1HD1  ILE  21          2HD1      ILE  21   5.354  -0.490  -2.355
  161   2HD1  ILE  21          3HD1      ILE  21   5.774   1.116  -2.990
  162   3HD1  ILE  21          1HD1      ILE  21   4.088   0.565  -2.983
  163    H    ARG  22           HN       ARG  22   5.037  -4.545  -5.838
  164    HA   ARG  22           HA       ARG  22   2.825  -6.095  -5.195
  165   1HB   ARG  22          2HB       ARG  22   4.909  -6.129  -7.097
  166   2HB   ARG  22          3HB       ARG  22   5.168  -7.628  -6.223
  167   1HG   ARG  22          2HG       ARG  22   3.867  -8.260  -7.971
  168   2HG   ARG  22          3HG       ARG  22   2.636  -8.075  -6.703
  169   1HD   ARG  22          2HD       ARG  22   2.068  -5.832  -7.628
  170   2HD   ARG  22          3HD       ARG  22   3.366  -5.942  -8.811
  171    HE   ARG  22           HE       ARG  22   1.763  -8.245  -9.172
  172   1HH1  ARG  22          2HH2      ARG  22   1.607  -4.726  -9.622
  173   2HH1  ARG  22          1HH2      ARG  22   0.411  -4.812 -10.891
  174   1HH2  ARG  22          2HH1      ARG  22   0.083  -8.299 -10.843
  175   2HH2  ARG  22          1HH1      ARG  22  -0.471  -6.766 -11.506
  176    H    LYS  23           HN       LYS  23   6.219  -6.450  -4.124
  177    HA   LYS  23           HA       LYS  23   5.903  -8.836  -2.714
  178   1HB   LYS  23          2HB       LYS  23   8.058  -6.741  -2.239
  179   2HB   LYS  23          3HB       LYS  23   8.136  -8.470  -1.918
  180   1HG   LYS  23          2HG       LYS  23   7.980  -7.174  -4.645
  181   2HG   LYS  23          3HG       LYS  23   9.418  -7.825  -3.861
  182   1HD   LYS  23          2HD       LYS  23   8.210 -10.086  -3.757
  183   2HD   LYS  23          3HD       LYS  23   6.952  -9.383  -4.786
  184   1HE   LYS  23          2HE       LYS  23   9.895  -9.837  -5.417
  185   2HE   LYS  23          3HE       LYS  23   8.486 -10.529  -6.212
  186   1HZ   LYS  23          2HZ       LYS  23   8.035  -8.013  -6.800
  187   2HZ   LYS  23          3HZ       LYS  23   9.622  -7.819  -6.488
  188   3HZ   LYS  23          1HZ       LYS  23   9.175  -8.890  -7.628
  189    H    ALA  24           HN       ALA  24   6.110  -5.390  -1.814
  190    HA   ALA  24           HA       ALA  24   5.893  -5.579   0.957
  191   1HB   ALA  24          3HB       ALA  24   4.729  -3.468  -0.859
  192   2HB   ALA  24          1HB       ALA  24   4.877  -3.346   0.906
  193   3HB   ALA  24          2HB       ALA  24   6.336  -3.472  -0.103
  194    H    TYR  25           HN       TYR  25   3.245  -5.221  -1.423
  195    HA   TYR  25           HA       TYR  25   1.056  -5.413   0.323
  196   1HB   TYR  25          2HB       TYR  25   1.056  -4.742  -2.054
  197   2HB   TYR  25          3HB       TYR  25   1.280  -6.413  -2.541
  198    HD1  TYR  25           HD1      TYR  25  -1.019  -4.030  -0.862
  199    HD2  TYR  25           HD2      TYR  25  -0.584  -7.924  -2.584
  200    HE1  TYR  25           HE1      TYR  25  -3.487  -4.323  -0.784
  201    HE2  TYR  25           HE2      TYR  25  -3.073  -8.173  -2.649
  202    HH   TYR  25           HH       TYR  25  -5.266  -5.631  -1.494
  203    H    LYS  26           HN       LYS  26   2.801  -8.067  -1.423
  204    HA   LYS  26           HA       LYS  26   1.182 -10.102  -0.451
  205   1HB   LYS  26          2HB       LYS  26   2.706 -10.301  -2.334
  206   2HB   LYS  26          3HB       LYS  26   4.109 -10.284  -1.261
  207   1HG   LYS  26          2HG       LYS  26   1.977 -12.312  -0.618
  208   2HG   LYS  26          3HG       LYS  26   2.798 -12.505  -2.166
  209   1HD   LYS  26          2HD       LYS  26   5.004 -12.517  -1.056
  210   2HD   LYS  26          3HD       LYS  26   4.264 -12.212   0.519
  211   1HE   LYS  26          2HE       LYS  26   4.914 -14.598   0.128
  212   2HE   LYS  26          3HE       LYS  26   3.206 -14.392   0.550
  213   1HZ   LYS  26          1HZ       LYS  26   3.991 -14.514  -2.273
  214   2HZ   LYS  26          2HZ       LYS  26   3.806 -15.901  -1.412
  215   3HZ   LYS  26          3HZ       LYS  26   2.538 -14.871  -1.543
  216    H    ARG  27           HN       ARG  27   4.339  -8.953   0.921
  217    HA   ARG  27           HA       ARG  27   4.347 -10.761   3.102
  218   1HB   ARG  27          2HB       ARG  27   5.838  -9.266   4.294
  219   2HB   ARG  27          3HB       ARG  27   6.361  -9.605   2.640
  220   1HG   ARG  27          2HG       ARG  27   5.691  -7.493   1.892
  221   2HG   ARG  27          3HG       ARG  27   4.891  -7.047   3.413
  222   1HD   ARG  27          2HD       ARG  27   7.827  -7.710   3.392
  223   2HD   ARG  27          3HD       ARG  27   7.311  -6.150   2.809
  224    HE   ARG  27           HE       ARG  27   7.416  -7.052   5.561
  225   1HH1  ARG  27          2HH2      ARG  27   5.613  -4.903   3.432
  226   2HH1  ARG  27          1HH2      ARG  27   5.504  -3.578   4.558
  227   1HH2  ARG  27          2HH1      ARG  27   7.443  -5.271   7.017
  228   2HH2  ARG  27          1HH1      ARG  27   6.443  -3.871   6.777
  229    H    LEU  28           HN       LEU  28   2.811  -7.557   2.730
  230    HA   LEU  28           HA       LEU  28   2.042  -7.228   5.464
  231   1HB   LEU  28          2HB       LEU  28   1.081  -6.149   2.779
  232   2HB   LEU  28          3HB       LEU  28   0.253  -5.744   4.277
  233    HG   LEU  28           HG       LEU  28   3.223  -5.329   4.028
  234   1HD1  LEU  28          1HD1      LEU  28   1.932  -4.125   2.172
  235   2HD1  LEU  28          2HD1      LEU  28   1.177  -3.173   3.468
  236   3HD1  LEU  28          3HD1      LEU  28   2.936  -3.142   3.230
  237   1HD2  LEU  28          3HD2      LEU  28   1.102  -4.030   5.796
  238   2HD2  LEU  28          1HD2      LEU  28   2.345  -5.181   6.324
  239   3HD2  LEU  28          2HD2      LEU  28   2.814  -3.576   5.749
  240    H    ALA  29           HN       ALA  29   0.300  -8.519   2.599
  241    HA   ALA  29           HA       ALA  29  -2.125  -9.103   3.841
  242   1HB   ALA  29          1HB       ALA  29  -0.680 -10.622   1.612
  243   2HB   ALA  29          2HB       ALA  29  -2.390 -10.802   2.018
  244   3HB   ALA  29          3HB       ALA  29  -1.788  -9.243   1.422
  245    H    MET  30           HN       MET  30   0.746 -11.296   3.477
  246    HA   MET  30           HA       MET  30  -0.481 -13.292   5.122
  247   1HB   MET  30          2HB       MET  30   1.547 -14.526   5.043
  248   2HB   MET  30          3HB       MET  30   1.146 -13.904   3.440
  249   1HG   MET  30          2HG       MET  30   2.740 -12.039   3.831
  250   2HG   MET  30          3HG       MET  30   3.252 -12.805   5.336
  251   1HE   MET  30          1HE       MET  30   4.491 -15.155   5.417
  252   2HE   MET  30          2HE       MET  30   3.285 -15.938   4.363
  253   3HE   MET  30          3HE       MET  30   5.013 -16.043   3.966
  254    H    LYS  31           HN       LYS  31   1.431 -10.451   5.926
  255    HA   LYS  31           HA       LYS  31   2.087 -11.113   8.625
  256   1HB   LYS  31          2HB       LYS  31   2.748  -9.013   7.225
  257   2HB   LYS  31          3HB       LYS  31   1.207  -8.341   7.722
  258   1HG   LYS  31          2HG       LYS  31   3.439  -9.215   9.605
  259   2HG   LYS  31          3HG       LYS  31   3.069  -7.572   9.055
  260   1HD   LYS  31          2HD       LYS  31   0.689  -7.949  10.026
  261   2HD   LYS  31          3HD       LYS  31   1.419  -9.324  10.910
  262   1HE   LYS  31          2HE       LYS  31   3.065  -7.814  11.931
  263   2HE   LYS  31          3HE       LYS  31   2.415  -6.457  11.004
  264   1HZ   LYS  31          3HZ       LYS  31   0.283  -6.830  12.201
  265   2HZ   LYS  31          1HZ       LYS  31   1.037  -7.971  13.120
  266   3HZ   LYS  31          2HZ       LYS  31   1.544  -6.406  13.161
  267    H    TYR  32           HN       TYR  32  -0.833  -9.768   7.041
  268    HA   TYR  32           HA       TYR  32  -2.240  -9.410   9.532
  269   1HB   TYR  32          2HB       TYR  32  -3.160  -9.566   6.629
  270   2HB   TYR  32          3HB       TYR  32  -4.298  -9.522   7.965
  271    HD1  TYR  32           HD1      TYR  32  -1.143  -7.531   8.157
  272    HD2  TYR  32           HD2      TYR  32  -5.358  -7.534   7.169
  273    HE1  TYR  32           HE1      TYR  32  -1.166  -5.071   8.196
  274    HE2  TYR  32           HE2      TYR  32  -5.361  -5.061   7.254
  275    HH   TYR  32           HH       TYR  32  -3.812  -3.192   6.963
  276    H    HIS  33           HN       HIS  33  -2.585 -11.874   6.949
  277    HA   HIS  33           HA       HIS  33  -3.788 -13.783   6.826
  278   1HB   HIS  33          2HB       HIS  33  -1.742 -14.602   7.568
  279   2HB   HIS  33          3HB       HIS  33  -2.028 -14.054   9.206
  280    HD1  HIS  33           HD1      HIS  33  -4.312 -15.523  10.355
  281    HD2  HIS  33           HD2      HIS  33  -2.235 -17.118   7.054
  282    HE1  HIS  33           HE1      HIS  33  -4.955 -18.000  10.218
  283    HA   PRO  34           HA       PRO  34  -7.267 -12.514   9.512
  284   1HB   PRO  34          2HB       PRO  34  -9.354 -13.537   8.094
  285   2HB   PRO  34          3HB       PRO  34  -8.446 -12.084   7.613
  286   1HG   PRO  34          2HG       PRO  34  -8.015 -14.911   6.623
  287   2HG   PRO  34          3HG       PRO  34  -8.205 -13.433   5.637
  288   1HD   PRO  34          2HD       PRO  34  -5.779 -14.432   6.218
  289   2HD   PRO  34          3HD       PRO  34  -6.036 -12.660   6.227
  290    H    ASP  35           HN       ASP  35  -6.271 -13.957  11.142
  291    HA   ASP  35           HA       ASP  35  -7.486 -16.633  11.507
  292   1HB   ASP  35          2HB       ASP  35  -5.228 -16.524  12.247
  293   2HB   ASP  35          3HB       ASP  35  -5.492 -14.990  13.087
  294    H    ARG  36           HN       ARG  36  -9.611 -16.003  11.475
  295    HA   ARG  36           HA       ARG  36 -11.618 -15.255  12.244
  296   1HB   ARG  36          2HB       ARG  36 -12.040 -16.212  14.601
  297   2HB   ARG  36          3HB       ARG  36 -11.454 -17.314  13.355
  298   1HG   ARG  36          2HG       ARG  36  -9.232 -17.292  14.159
  299   2HG   ARG  36          3HG       ARG  36  -9.540 -15.940  15.275
  300   1HD   ARG  36          2HD       ARG  36 -10.751 -17.317  16.771
  301   2HD   ARG  36          3HD       ARG  36 -11.021 -18.544  15.529
  302    HE   ARG  36           HE       ARG  36  -8.952 -19.444  15.837
  303   1HH1  ARG  36          2HH2      ARG  36  -9.147 -16.672  18.029
  304   2HH1  ARG  36          1HH2      ARG  36  -7.500 -16.185  17.762
  305   1HH2  ARG  36          2HH1      ARG  36  -6.651 -18.586  15.633
  306   2HH2  ARG  36          1HH1      ARG  36  -6.036 -17.880  17.066
  307    H    ASN  37           HN       ASN  37 -10.127 -12.946  12.197
  308    HA   ASN  37           HA       ASN  37 -10.673 -11.568  14.770
  309   1HB   ASN  37          2HB       ASN  37  -8.579 -11.130  13.527
  310   2HB   ASN  37          3HB       ASN  37  -9.521 -10.367  12.235
  311   1HD2  ASN  37          2HD2      ASN  37 -10.131  -7.428  14.195
  312   2HD2  ASN  37          1HD2      ASN  37 -10.623  -8.366  12.784
  313    H    GLN  38           HN       GLN  38 -12.957 -12.488  14.123
  314    HA   GLN  38           HA       GLN  38 -14.472 -10.543  12.459
  315   1HB   GLN  38          2HB       GLN  38 -14.806 -13.061  12.265
  316   2HB   GLN  38          3HB       GLN  38 -15.528 -12.983  13.862
  317   1HG   GLN  38          2HG       GLN  38 -16.470 -11.691  11.271
  318   2HG   GLN  38          3HG       GLN  38 -17.272 -12.966  12.186
  319   1HE2  GLN  38          2HE2      GLN  38 -18.697 -10.648  14.610
  320   2HE2  GLN  38          1HE2      GLN  38 -17.963 -12.234  14.544
  321    H    GLY  39           HN       GLY  39 -14.375  -8.754  13.694
  322   1HA   GLY  39          1HA       GLY  39 -16.209  -8.396  15.781
  323   2HA   GLY  39          2HA       GLY  39 -14.631  -8.669  16.554
  324    H    ASP  40           HN       ASP  40 -12.781  -7.485  15.224
  325    HA   ASP  40           HA       ASP  40 -13.234  -4.805  15.780
  326   1HB   ASP  40          2HB       ASP  40 -11.036  -6.257  15.580
  327   2HB   ASP  40          3HB       ASP  40 -10.936  -5.546  13.966
  328    H    LYS  41           HN       LYS  41 -12.752  -2.966  14.280
  329    HA   LYS  41           HA       LYS  41 -13.716  -3.285  11.464
  330   1HB   LYS  41          2HB       LYS  41 -15.333  -2.113  13.043
  331   2HB   LYS  41          3HB       LYS  41 -14.141  -0.836  13.192
  332   1HG   LYS  41          2HG       LYS  41 -14.246  -0.360  10.803
  333   2HG   LYS  41          3HG       LYS  41 -15.350  -1.717  10.533
  334   1HD   LYS  41          2HD       LYS  41 -16.002   0.485  12.539
  335   2HD   LYS  41          3HD       LYS  41 -16.276   0.774  10.827
  336   1HE   LYS  41          2HE       LYS  41 -17.433  -1.709  12.194
  337   2HE   LYS  41          3HE       LYS  41 -18.258  -0.143  12.229
  338   1HZ   LYS  41          2HZ       LYS  41 -17.515  -1.473   9.701
  339   2HZ   LYS  41          3HZ       LYS  41 -18.993  -1.541  10.403
  340   3HZ   LYS  41          1HZ       LYS  41 -18.395  -0.099   9.923
  341    H    GLU  42           HN       GLU  42 -11.119  -2.248  13.649
  342    HA   GLU  42           HA       GLU  42 -10.126  -0.266  11.829
  343   1HB   GLU  42          2HB       GLU  42  -8.355   0.089  13.174
  344   2HB   GLU  42          3HB       GLU  42  -9.687  -0.254  14.273
  345   1HG   GLU  42          2HG       GLU  42  -8.735  -2.605  14.516
  346   2HG   GLU  42          3HG       GLU  42  -7.355  -2.085  13.531
  347    H    ALA  43           HN       ALA  43  -9.181  -3.642  12.441
  348    HA   ALA  43           HA       ALA  43  -7.033  -3.753  10.841
  349   1HB   ALA  43          2HB       ALA  43  -7.799  -5.584  12.281
  350   2HB   ALA  43          3HB       ALA  43  -9.061  -6.005  11.096
  351   3HB   ALA  43          1HB       ALA  43  -7.352  -6.147  10.656
  352    H    GLU  44           HN       GLU  44 -10.432  -4.104   9.781
  353    HA   GLU  44           HA       GLU  44  -9.840  -4.673   7.057
  354   1HB   GLU  44          2HB       GLU  44 -12.092  -4.857   8.323
  355   2HB   GLU  44          3HB       GLU  44 -12.287  -3.132   7.992
  356   1HG   GLU  44          2HG       GLU  44 -13.388  -4.279   6.219
  357   2HG   GLU  44          3HG       GLU  44 -11.869  -3.712   5.517
  358    H    ALA  45           HN       ALA  45 -10.478  -1.543   8.737
  359    HA   ALA  45           HA       ALA  45 -10.160   0.044   6.469
  360   1HB   ALA  45          3HB       ALA  45 -11.119   0.806   8.656
  361   2HB   ALA  45          1HB       ALA  45  -9.484   0.781   9.354
  362   3HB   ALA  45          2HB       ALA  45  -9.853   1.899   8.030
  363    H    LYS  46           HN       LYS  46  -7.837  -1.384   8.700
  364    HA   LYS  46           HA       LYS  46  -5.561   0.050   7.757
  365   1HB   LYS  46          2HB       LYS  46  -5.930  -1.296   9.969
  366   2HB   LYS  46          3HB       LYS  46  -5.433  -2.703   9.001
  367   1HG   LYS  46          2HG       LYS  46  -3.400  -1.274   8.294
  368   2HG   LYS  46          3HG       LYS  46  -3.929  -0.101   9.492
  369   1HD   LYS  46          2HD       LYS  46  -3.807  -1.883  11.282
  370   2HD   LYS  46          3HD       LYS  46  -3.296  -3.049  10.059
  371   1HE   LYS  46          2HE       LYS  46  -1.274  -2.364  11.008
  372   2HE   LYS  46          3HE       LYS  46  -1.352  -1.455   9.496
  373   1HZ   LYS  46          2HZ       LYS  46  -2.092  -0.444  12.174
  374   2HZ   LYS  46          3HZ       LYS  46  -0.677  -0.169  11.391
  375   3HZ   LYS  46          1HZ       LYS  46  -2.071   0.494  10.806
  376    H    PHE  47           HN       PHE  47  -7.249  -2.961   6.768
  377    HA   PHE  47           HA       PHE  47  -5.247  -3.582   4.796
  378   1HB   PHE  47          2HB       PHE  47  -6.876  -5.303   5.568
  379   2HB   PHE  47          3HB       PHE  47  -8.186  -4.367   4.870
  380    HD1  PHE  47          2HD       PHE  47  -4.804  -5.215   3.362
  381    HD2  PHE  47          1HD       PHE  47  -9.067  -5.916   3.307
  382    HE1  PHE  47          2HE       PHE  47  -4.587  -6.381   1.206
  383    HE2  PHE  47          1HE       PHE  47  -8.836  -7.038   1.113
  384    HZ   PHE  47           HZ       PHE  47  -6.604  -7.259   0.043
  385    H    LYS  48           HN       LYS  48  -7.976  -1.335   5.021
  386    HA   LYS  48           HA       LYS  48  -8.150  -0.798   2.224
  387   1HB   LYS  48          2HB       LYS  48  -9.097   0.934   4.513
  388   2HB   LYS  48          3HB       LYS  48  -9.240   1.322   2.805
  389   1HG   LYS  48          2HG       LYS  48 -10.370  -0.763   2.349
  390   2HG   LYS  48          3HG       LYS  48 -10.219  -1.272   4.025
  391   1HD   LYS  48          2HD       LYS  48 -11.718   0.612   4.711
  392   2HD   LYS  48          3HD       LYS  48 -11.647   1.251   3.064
  393   1HE   LYS  48          2HE       LYS  48 -12.602  -1.116   2.360
  394   2HE   LYS  48          3HE       LYS  48 -13.032  -1.273   4.062
  395   1HZ   LYS  48          3HZ       LYS  48 -14.366   0.788   3.742
  396   2HZ   LYS  48          1HZ       LYS  48 -13.888   0.855   2.182
  397   3HZ   LYS  48          2HZ       LYS  48 -14.805  -0.418   2.696
  398    H    GLU  49           HN       GLU  49  -6.170   0.763   4.910
  399    HA   GLU  49           HA       GLU  49  -5.158   2.711   3.142
  400   1HB   GLU  49          2HB       GLU  49  -3.580   3.235   4.740
  401   2HB   GLU  49          3HB       GLU  49  -5.041   2.835   5.632
  402   1HG   GLU  49          2HG       GLU  49  -4.066   0.706   6.284
  403   2HG   GLU  49          3HG       GLU  49  -2.627   1.000   5.292
  404    H    ILE  50           HN       ILE  50  -3.853  -0.551   3.987
  405    HA   ILE  50           HA       ILE  50  -1.622  -0.361   2.291
  406    HB   ILE  50           HB       ILE  50  -3.225  -2.872   2.888
  407   1HG1  ILE  50          2HG1      ILE  50  -0.676  -1.972   4.289
  408   2HG1  ILE  50          3HG1      ILE  50  -2.263  -1.562   4.934
  409   1HG2  ILE  50          1HG2      ILE  50  -0.393  -2.361   1.839
  410   2HG2  ILE  50          2HG2      ILE  50  -0.938  -3.958   2.354
  411   3HG2  ILE  50          3HG2      ILE  50  -1.718  -3.177   0.999
  412   1HD1  ILE  50          2HD1      ILE  50  -1.430  -4.440   4.345
  413   2HD1  ILE  50          3HD1      ILE  50  -1.346  -3.656   5.918
  414   3HD1  ILE  50          1HD1      ILE  50  -2.912  -3.893   5.092
  415    H    LYS  51           HN       LYS  51  -4.975  -1.465   1.501
  416    HA   LYS  51           HA       LYS  51  -4.334  -2.249  -1.159
  417   1HB   LYS  51          2HB       LYS  51  -6.248  -2.920   0.173
  418   2HB   LYS  51          3HB       LYS  51  -7.028  -1.346  -0.046
  419   1HG   LYS  51          2HG       LYS  51  -6.222  -3.096  -2.415
  420   2HG   LYS  51          3HG       LYS  51  -7.617  -3.497  -1.435
  421   1HD   LYS  51          2HD       LYS  51  -8.626  -2.407  -3.102
  422   2HD   LYS  51          3HD       LYS  51  -8.522  -1.125  -1.901
  423   1HE   LYS  51          2HE       LYS  51  -6.839   0.026  -3.166
  424   2HE   LYS  51          3HE       LYS  51  -6.388  -1.440  -4.069
  425   1HZ   LYS  51          2HZ       LYS  51  -8.581  -1.251  -5.149
  426   2HZ   LYS  51          3HZ       LYS  51  -8.767   0.254  -4.423
  427   3HZ   LYS  51          1HZ       LYS  51  -7.563  -0.002  -5.451
  428    H    GLU  52           HN       GLU  52  -5.619   0.846   0.131
  429    HA   GLU  52           HA       GLU  52  -5.944   2.031  -2.474
  430   1HB   GLU  52          2HB       GLU  52  -7.188   2.667  -0.404
  431   2HB   GLU  52          3HB       GLU  52  -5.684   3.304   0.286
  432   1HG   GLU  52          2HG       GLU  52  -5.611   5.028  -1.480
  433   2HG   GLU  52          3HG       GLU  52  -6.911   4.227  -2.346
  434    H    ALA  53           HN       ALA  53  -3.420   2.234   0.056
  435    HA   ALA  53           HA       ALA  53  -1.510   3.838  -1.244
  436   1HB   ALA  53          3HB       ALA  53  -1.384   3.009   1.097
  437   2HB   ALA  53          1HB       ALA  53  -1.158   1.378   0.508
  438   3HB   ALA  53          2HB       ALA  53   0.083   2.611   0.187
  439    H    TYR  54           HN       TYR  54  -2.040   0.300  -1.424
  440    HA   TYR  54           HA       TYR  54   0.072  -0.327  -3.183
  441   1HB   TYR  54          2HB       TYR  54  -0.977  -2.047  -1.915
  442   2HB   TYR  54          3HB       TYR  54  -2.561  -1.722  -2.603
  443    HD1  TYR  54           HD1      TYR  54   0.813  -2.992  -3.406
  444    HD2  TYR  54           HD2      TYR  54  -3.263  -2.654  -4.718
  445    HE1  TYR  54           HE1      TYR  54   1.420  -4.046  -5.583
  446    HE2  TYR  54           HE2      TYR  54  -2.649  -3.665  -6.888
  447    HH   TYR  54           HH       TYR  54   0.685  -3.950  -7.863
  448    H    GLU  55           HN       GLU  55  -3.195   1.036  -3.899
  449    HA   GLU  55           HA       GLU  55  -3.003   0.521  -6.719
  450   1HB   GLU  55          2HB       GLU  55  -5.119   0.359  -5.863
  451   2HB   GLU  55          3HB       GLU  55  -4.886   1.658  -4.706
  452   1HG   GLU  55          2HG       GLU  55  -4.881   3.327  -6.323
  453   2HG   GLU  55          3HG       GLU  55  -4.940   2.103  -7.639
  454    H    VAL  56           HN       VAL  56  -2.412   3.130  -4.351
  455    HA   VAL  56           HA       VAL  56  -2.117   5.231  -6.252
  456    HB   VAL  56           HB       VAL  56  -1.202   4.816  -3.385
  457   1HG1  VAL  56          1HG1      VAL  56  -0.679   7.329  -5.007
  458   2HG1  VAL  56          2HG1      VAL  56  -0.583   7.213  -3.261
  459   3HG1  VAL  56          3HG1      VAL  56   0.535   6.286  -4.257
  460   1HG2  VAL  56          2HG2      VAL  56  -3.641   5.255  -3.952
  461   2HG2  VAL  56          3HG2      VAL  56  -2.899   6.437  -2.861
  462   3HG2  VAL  56          1HG2      VAL  56  -3.145   6.837  -4.569
  463    H    LEU  57           HN       LEU  57   0.226   3.076  -4.683
  464    HA   LEU  57           HA       LEU  57   2.502   4.381  -5.861
  465   1HB   LEU  57          2HB       LEU  57   2.202   1.849  -4.262
  466   2HB   LEU  57          3HB       LEU  57   3.751   2.611  -4.657
  467    HG   LEU  57           HG       LEU  57   1.543   3.995  -3.053
  468   1HD1  LEU  57          1HD1      LEU  57   2.518   2.037  -1.937
  469   2HD1  LEU  57          2HD1      LEU  57   4.153   2.702  -2.219
  470   3HD1  LEU  57          3HD1      LEU  57   3.021   3.550  -1.157
  471   1HD2  LEU  57          2HD2      LEU  57   4.376   4.766  -3.838
  472   2HD2  LEU  57          3HD2      LEU  57   2.884   5.677  -4.163
  473   3HD2  LEU  57          1HD2      LEU  57   3.487   5.552  -2.514
  474    H    THR  58           HN       THR  58   0.912   3.560  -8.037
  475    HA   THR  58           HA       THR  58   2.585   1.372  -9.203
  476    HB   THR  58           HB       THR  58   0.594   0.369 -10.087
  477    HG1  THR  58          1HG       THR  58  -0.834   1.869 -10.535
  478   1HG2  THR  58          3HG2      THR  58   1.248   0.087  -7.558
  479   2HG2  THR  58          1HG2      THR  58  -0.067   1.215  -7.240
  480   3HG2  THR  58          2HG2      THR  58  -0.399  -0.354  -7.996
  481    H    ASP  59           HN       ASP  59   3.032   4.150  -9.438
  482    HA   ASP  59           HA       ASP  59   3.739   5.607 -11.064
  483   1HB   ASP  59          2HB       ASP  59   5.094   3.658 -11.688
  484   2HB   ASP  59          3HB       ASP  59   3.789   3.037 -12.704
  485    H    SER  60           HN       SER  60   1.714   6.829 -11.135
  486    HA   SER  60           HA       SER  60   0.662   6.764 -13.839
  487   1HB   SER  60          2HB       SER  60  -1.407   6.605 -11.593
  488   2HB   SER  60          3HB       SER  60  -1.581   6.367 -13.348
  489    HG   SER  60           HG       SER  60  -0.121   4.491 -12.918
  490    H    GLN  61           HN       GLN  61  -1.299   8.495 -11.663
  491    HA   GLN  61           HA       GLN  61   0.569  10.795 -11.486
  492   1HB   GLN  61          2HB       GLN  61  -1.347  11.295 -12.848
  493   2HB   GLN  61          3HB       GLN  61  -2.478  10.695 -11.608
  494   1HG   GLN  61          2HG       GLN  61  -1.792  12.347 -10.045
  495   2HG   GLN  61          3HG       GLN  61  -0.414  12.820 -11.062
  496   1HE2  GLN  61          2HE2      GLN  61  -2.480  15.575 -12.033
  497   2HE2  GLN  61          1HE2      GLN  61  -0.903  14.997 -11.580
  498    H    LYS  62           HN       LYS  62  -1.790   8.688  -9.867
  499    HA   LYS  62           HA       LYS  62  -1.786   9.701  -7.273
  500   1HB   LYS  62          2HB       LYS  62  -1.602   6.777  -8.126
  501   2HB   LYS  62          3HB       LYS  62  -2.165   7.411  -6.568
  502   1HG   LYS  62          2HG       LYS  62  -4.091   8.484  -7.624
  503   2HG   LYS  62          3HG       LYS  62  -3.576   7.878  -9.212
  504   1HD   LYS  62          2HD       LYS  62  -3.725   5.532  -8.335
  505   2HD   LYS  62          3HD       LYS  62  -4.352   6.160  -6.800
  506   1HE   LYS  62          2HE       LYS  62  -6.319   7.084  -7.887
  507   2HE   LYS  62          3HE       LYS  62  -5.659   6.739  -9.496
  508   1HZ   LYS  62          3HZ       LYS  62  -5.891   4.400  -9.076
  509   2HZ   LYS  62          1HZ       LYS  62  -6.548   4.663  -7.576
  510   3HZ   LYS  62          2HZ       LYS  62  -7.320   5.197  -8.902
  511    H    ARG  63           HN       ARG  63   0.692   7.899  -8.971
  512    HA   ARG  63           HA       ARG  63   2.739   8.365  -6.805
  513   1HB   ARG  63          2HB       ARG  63   2.546   6.092  -6.990
  514   2HB   ARG  63          3HB       ARG  63   2.529   6.089  -8.757
  515   1HG   ARG  63          2HG       ARG  63   4.823   6.114  -8.854
  516   2HG   ARG  63          3HG       ARG  63   4.903   7.499  -7.772
  517   1HD   ARG  63          2HD       ARG  63   6.112   6.117  -6.602
  518   2HD   ARG  63          3HD       ARG  63   4.550   5.879  -5.842
  519    HE   ARG  63           HE       ARG  63   4.592   3.863  -7.760
  520   1HH1  ARG  63          2HH2      ARG  63   7.633   4.760  -6.191
  521   2HH1  ARG  63          1HH2      ARG  63   7.976   3.112  -5.802
  522   1HH2  ARG  63          2HH1      ARG  63   5.084   1.756  -7.158
  523   2HH2  ARG  63          1HH1      ARG  63   6.687   1.445  -6.462
  524    H    ALA  64           HN       ALA  64   2.640  10.506  -7.784
  525    HA   ALA  64           HA       ALA  64   4.985  11.078  -8.926
  526   1HB   ALA  64          3HB       ALA  64   2.689  10.870 -10.911
  527   2HB   ALA  64          1HB       ALA  64   3.981  12.046 -11.197
  528   3HB   ALA  64          2HB       ALA  64   4.373  10.307 -11.113
  529    H    ALA  65           HN       ALA  65   1.597  12.045  -8.576
  530    HA   ALA  65           HA       ALA  65   1.836  14.784  -8.867
  531   1HB   ALA  65          2HB       ALA  65   0.102  13.088  -7.015
  532   2HB   ALA  65          3HB       ALA  65  -0.088  14.835  -7.191
  533   3HB   ALA  65          1HB       ALA  65  -0.328  13.775  -8.598
  534    H    TYR  66           HN       TYR  66   2.087  12.911  -5.837
  535    HA   TYR  66           HA       TYR  66   2.877  15.164  -4.271
  536   1HB   TYR  66          2HB       TYR  66   2.387  12.290  -3.855
  537   2HB   TYR  66          3HB       TYR  66   3.825  12.796  -3.004
  538    HD1  TYR  66           HD2      TYR  66   3.736  14.806  -1.458
  539    HD2  TYR  66           HD1      TYR  66   0.179  12.986  -3.065
  540    HE1  TYR  66           HE2      TYR  66   2.396  15.833   0.350
  541    HE2  TYR  66           HE1      TYR  66  -1.154  13.987  -1.220
  542    HH   TYR  66           HH       TYR  66   0.437  15.479   1.611
  543    H    ASP  67           HN       ASP  67   4.729  12.615  -6.036
  544    HA   ASP  67           HA       ASP  67   7.221  13.168  -4.924
  545   1HB   ASP  67          2HB       ASP  67   6.429  12.091  -7.663
  546   2HB   ASP  67          3HB       ASP  67   7.911  11.767  -6.817
  547    H    GLN  68           HN       GLN  68   5.471  14.500  -7.706
  548    HA   GLN  68           HA       GLN  68   7.503  16.134  -8.858
  549   1HB   GLN  68          2HB       GLN  68   5.430  15.440  -9.982
  550   2HB   GLN  68          3HB       GLN  68   4.438  16.251  -8.782
  551   1HG   GLN  68          2HG       GLN  68   5.317  18.424  -9.559
  552   2HG   GLN  68          3HG       GLN  68   6.318  17.544 -10.733
  553   1HE2  GLN  68          2HE2      GLN  68   3.296  18.650 -12.605
  554   2HE2  GLN  68          1HE2      GLN  68   4.647  19.381 -11.739
  555    H    TYR  69           HN       TYR  69   4.636  16.997  -6.859
  556    HA   TYR  69           HA       TYR  69   6.070  18.765  -5.090
  557   1HB   TYR  69          2HB       TYR  69   4.858  19.803  -7.616
  558   2HB   TYR  69          3HB       TYR  69   4.522  20.699  -6.140
  559    HD1  TYR  69           HD1      TYR  69   6.487  21.492  -4.705
  560    HD2  TYR  69           HD2      TYR  69   6.889  20.190  -8.794
  561    HE1  TYR  69           HE1      TYR  69   8.785  22.382  -4.765
  562    HE2  TYR  69           HE2      TYR  69   9.167  21.126  -8.869
  563    HH   TYR  69           HH       TYR  69  10.710  22.601  -6.003
  564    H    GLY  70           HN       GLY  70   4.923  17.294  -3.720
  565   1HA   GLY  70          1HA       GLY  70   2.087  17.173  -3.463
  566   2HA   GLY  70          2HA       GLY  70   3.273  17.073  -2.135
  567    H    HIS  71           HN       HIS  71   4.204  19.781  -3.126
  568    HA   HIS  71           HA       HIS  71   2.368  21.488  -1.528
  569   1HB   HIS  71          2HB       HIS  71   5.359  21.714  -2.000
  570   2HB   HIS  71          3HB       HIS  71   4.363  22.799  -1.027
  571    HD1  HIS  71           HD1      HIS  71   4.417  22.232   1.501
  572    HD2  HIS  71           HD2      HIS  71   5.213  18.939  -0.994
  573    HE1  HIS  71           HE1      HIS  71   4.773  20.204   3.022
  574    H    ALA  72           HN       ALA  72   1.468  21.056  -3.775
  575    HA   ALA  72           HA       ALA  72   0.333  22.254  -5.300
  576   1HB   ALA  72          1HB       ALA  72   0.816  24.115  -3.773
  577   2HB   ALA  72          2HB       ALA  72   2.246  24.544  -4.736
  578   3HB   ALA  72          3HB       ALA  72   0.643  24.597  -5.479
  579    H    ALA  73           HN       ALA  73   1.183  20.642  -6.795
  580    HA   ALA  73           HA       ALA  73   3.506  21.284  -8.444
  581   1HB   ALA  73          1HB       ALA  73   1.271  19.211  -8.713
  582   2HB   ALA  73          2HB       ALA  73   2.718  19.288  -9.727
  583   3HB   ALA  73          3HB       ALA  73   2.852  18.921  -8.001
  584    H    PHE  74           HN       PHE  74   0.049  20.845  -9.308
  585    HA   PHE  74           HA       PHE  74   0.512  22.332 -11.768
  586   1HB   PHE  74          2HB       PHE  74  -1.637  21.555 -12.389
  587   2HB   PHE  74          3HB       PHE  74  -0.617  20.219 -11.899
  588    HD1  PHE  74          2HD       PHE  74  -1.044  19.138  -9.564
  589    HD2  PHE  74          1HD       PHE  74  -3.830  21.778 -11.552
  590    HE1  PHE  74          2HE       PHE  74  -2.888  18.320  -8.116
  591    HE2  PHE  74          1HE       PHE  74  -5.669  20.836 -10.213
  592    HZ   PHE  74           HZ       PHE  74  -5.206  19.118  -8.481
  593    H    GLU  75           HN       GLU  75   1.046  24.186 -10.249
  594    HA   GLU  75           HA       GLU  75  -1.399  25.805  -9.732
  595   1HB   GLU  75          2HB       GLU  75  -0.525  24.502  -7.701
  596   2HB   GLU  75          3HB       GLU  75   0.884  25.570  -7.730
  597   1HG   GLU  75          2HG       GLU  75  -0.384  27.456  -7.143
  598   2HG   GLU  75          3HG       GLU  75  -1.874  26.806  -7.799
  599    H    GLN  76           HN       GLN  76   0.898  25.820 -11.811
  600    HA   GLN  76           HA       GLN  76   2.431  28.147 -11.200
  601   1HB   GLN  76          2HB       GLN  76   2.946  26.379 -12.938
  602   2HB   GLN  76          3HB       GLN  76   1.743  27.139 -13.994
  603   1HG   GLN  76          2HG       GLN  76   3.849  28.942 -12.770
  604   2HG   GLN  76          3HG       GLN  76   4.397  27.727 -13.912
  605   1HE2  GLN  76          2HE2      GLN  76   1.826  30.615 -15.424
  606   2HE2  GLN  76          1HE2      GLN  76   1.713  30.184 -13.729
   
  No H/Q in entry =         606
  Start of MODEL   16
    1   1H    ALA   2          1HN       ALA   2   6.401  16.386   6.273
    2   2H    ALA   2          2HN       ALA   2   4.860  16.827   6.705
    3   3H    ALA   2          3HN       ALA   2   6.067  16.678   7.839
    4    HA   ALA   2           HA       ALA   2   6.134  14.391   7.694
    5   1HB   ALA   2          2HB       ALA   2   4.016  15.126   8.795
    6   2HB   ALA   2          3HB       ALA   2   3.194  15.045   7.225
    7   3HB   ALA   2          1HB       ALA   2   3.871  13.574   7.947
    8    H    LYS   3           HN       LYS   3   6.882  13.024   6.151
    9    HA   LYS   3           HA       LYS   3   6.425  13.428   3.362
   10   1HB   LYS   3          2HB       LYS   3   7.618  11.200   5.030
   11   2HB   LYS   3          3HB       LYS   3   7.515  11.095   3.273
   12   1HG   LYS   3          2HG       LYS   3   8.643  13.640   4.453
   13   2HG   LYS   3          3HG       LYS   3   9.642  12.182   4.544
   14   1HD   LYS   3          2HD       LYS   3   9.832  11.941   2.234
   15   2HD   LYS   3          3HD       LYS   3   8.335  12.808   1.896
   16   1HE   LYS   3          2HE       LYS   3  10.490  13.979   1.235
   17   2HE   LYS   3          3HE       LYS   3   9.310  14.935   2.128
   18   1HZ   LYS   3          2HZ       LYS   3  11.522  13.626   3.545
   19   2HZ   LYS   3          3HZ       LYS   3  11.713  15.075   2.783
   20   3HZ   LYS   3          1HZ       LYS   3  10.593  14.964   3.946
   21    H    GLN   4           HN       GLN   4   5.366  12.126   1.883
   22    HA   GLN   4           HA       GLN   4   2.669  11.768   2.529
   23   1HB   GLN   4          2HB       GLN   4   3.555  12.437   0.357
   24   2HB   GLN   4          3HB       GLN   4   4.269  10.844   0.117
   25   1HG   GLN   4          2HG       GLN   4   2.269   9.908  -0.492
   26   2HG   GLN   4          3HG       GLN   4   1.332  10.874   0.663
   27   1HE2  GLN   4          2HE2      GLN   4   0.854  13.667  -1.521
   28   2HE2  GLN   4          1HE2      GLN   4   1.078  13.209   0.156
   29    H    ASP   5           HN       ASP   5   1.906  10.275   3.838
   30    HA   ASP   5           HA       ASP   5   3.360   7.929   4.509
   31   1HB   ASP   5          2HB       ASP   5   1.970   9.162   6.132
   32   2HB   ASP   5          3HB       ASP   5   0.502   8.713   5.249
   33    H    TYR   6           HN       TYR   6   3.542   6.792   2.594
   34    HA   TYR   6           HA       TYR   6   1.262   4.971   1.886
   35   1HB   TYR   6          2HB       TYR   6   3.050   6.656   0.060
   36   2HB   TYR   6          3HB       TYR   6   2.283   5.185  -0.499
   37    HD1  TYR   6           HD1      TYR   6   1.322   8.500   1.089
   38    HD2  TYR   6           HD2      TYR   6   0.329   5.377  -1.671
   39    HE1  TYR   6           HE1      TYR   6  -0.867   9.595   0.628
   40    HE2  TYR   6           HE2      TYR   6  -2.020   6.224  -1.740
   41    HH   TYR   6           HH       TYR   6  -3.485   7.834  -0.831
   42    H    TYR   7           HN       TYR   7   4.716   5.551   0.970
   43    HA   TYR   7           HA       TYR   7   5.377   2.780   0.959
   44   1HB   TYR   7          2HB       TYR   7   7.720   3.558   1.103
   45   2HB   TYR   7          3HB       TYR   7   6.785   4.322  -0.171
   46    HD1  TYR   7           HD1      TYR   7   8.302   4.848   3.199
   47    HD2  TYR   7           HD2      TYR   7   6.480   6.700  -0.243
   48    HE1  TYR   7           HE1      TYR   7   9.187   7.038   3.906
   49    HE2  TYR   7           HE2      TYR   7   7.356   8.897   0.478
   50    HH   TYR   7           HH       TYR   7   9.568   9.230   3.268
   51    H    GLU   8           HN       GLU   8   4.968   5.038   3.644
   52    HA   GLU   8           HA       GLU   8   6.598   3.532   5.472
   53   1HB   GLU   8          2HB       GLU   8   5.435   6.146   5.317
   54   2HB   GLU   8          3HB       GLU   8   4.666   5.346   6.679
   55   1HG   GLU   8          2HG       GLU   8   7.687   5.428   6.238
   56   2HG   GLU   8          3HG       GLU   8   6.795   6.661   7.128
   57    H    ILE   9           HN       ILE   9   3.090   4.072   4.870
   58    HA   ILE   9           HA       ILE   9   1.953   2.191   6.552
   59    HB   ILE   9           HB       ILE   9   1.287   3.207   3.790
   60   1HG1  ILE   9          2HG1      ILE   9  -0.284   3.268   6.380
   61   2HG1  ILE   9          3HG1      ILE   9   0.941   4.462   5.955
   62   1HG2  ILE   9          2HG2      ILE   9  -0.358   1.110   5.228
   63   2HG2  ILE   9          3HG2      ILE   9  -0.841   2.021   3.775
   64   3HG2  ILE   9          1HG2      ILE   9   0.482   0.878   3.678
   65   1HD1  ILE   9          3HD1      ILE   9  -0.353   4.799   3.751
   66   2HD1  ILE   9          1HD1      ILE   9  -1.682   3.932   4.537
   67   3HD1  ILE   9          2HD1      ILE   9  -1.071   5.435   5.245
   68    H    LEU  10           HN       LEU  10   3.289   1.626   3.193
   69    HA   LEU  10           HA       LEU  10   2.717  -1.140   3.528
   70   1HB   LEU  10          2HB       LEU  10   4.204   0.452   1.433
   71   2HB   LEU  10          3HB       LEU  10   4.314  -1.310   1.470
   72    HG   LEU  10           HG       LEU  10   1.641  -1.177   1.634
   73   1HD1  LEU  10          1HD1      LEU  10   2.424   1.399   0.207
   74   2HD1  LEU  10          2HD1      LEU  10   0.827   0.631   0.163
   75   3HD1  LEU  10          3HD1      LEU  10   1.466   1.257   1.696
   76   1HD2  LEU  10          3HD2      LEU  10   3.331  -0.857  -0.831
   77   2HD2  LEU  10          1HD2      LEU  10   2.711  -2.369  -0.116
   78   3HD2  LEU  10          2HD2      LEU  10   1.593  -1.236  -0.887
   79    H    GLY  11           HN       GLY  11   5.618   0.738   4.254
   80   1HA   GLY  11          1HA       GLY  11   7.138   0.142   5.950
   81   2HA   GLY  11          2HA       GLY  11   6.420  -1.489   6.012
   82    H    VAL  12           HN       VAL  12   7.831   0.647   3.563
   83    HA   VAL  12           HA       VAL  12   9.661  -1.419   2.524
   84    HB   VAL  12           HB       VAL  12   7.452  -1.908   1.648
   85   1HG1  VAL  12          2HG1      VAL  12   6.422   0.327   1.760
   86   2HG1  VAL  12          3HG1      VAL  12   7.410   0.852   0.377
   87   3HG1  VAL  12          1HG1      VAL  12   6.207  -0.451   0.204
   88   1HG2  VAL  12          3HG2      VAL  12   9.438  -2.246   0.222
   89   2HG2  VAL  12          1HG2      VAL  12   7.901  -2.060  -0.642
   90   3HG2  VAL  12          2HG2      VAL  12   9.046  -0.711  -0.592
   91    H    SER  13           HN       SER  13  10.769  -0.294   0.504
   92    HA   SER  13           HA       SER  13  12.244   1.717   1.830
   93   1HB   SER  13          2HB       SER  13  12.487  -0.052  -0.473
   94   2HB   SER  13          3HB       SER  13  12.914   1.563  -0.946
   95    HG   SER  13           HG       SER  13  14.434   1.626   0.699
   96    H    LYS  14           HN       LYS  14  12.819   3.850   0.964
   97    HA   LYS  14           HA       LYS  14  10.505   5.330   1.420
   98   1HB   LYS  14          2HB       LYS  14  13.197   6.249   0.356
   99   2HB   LYS  14          3HB       LYS  14  11.959   7.279   1.094
  100   1HG   LYS  14          2HG       LYS  14  12.161   5.660   3.143
  101   2HG   LYS  14          3HG       LYS  14  13.730   5.216   2.451
  102   1HD   LYS  14          2HD       LYS  14  12.754   8.027   3.114
  103   2HD   LYS  14          3HD       LYS  14  13.867   7.090   4.112
  104   1HE   LYS  14          2HE       LYS  14  15.659   7.323   2.619
  105   2HE   LYS  14          3HE       LYS  14  14.635   7.685   1.226
  106   1HZ   LYS  14          1HZ       LYS  14  14.771   9.533   3.492
  107   2HZ   LYS  14          2HZ       LYS  14  15.809   9.607   2.192
  108   3HZ   LYS  14          3HZ       LYS  14  14.184   9.778   1.976
  109    H    THR  15           HN       THR  15  12.203   4.758  -1.646
  110    HA   THR  15           HA       THR  15   9.793   5.737  -3.097
  111    HB   THR  15           HB       THR  15  11.351   6.669  -4.836
  112    HG1  THR  15          1HG       THR  15  13.291   5.740  -4.388
  113   1HG2  THR  15          1HG2      THR  15  10.313   8.128  -3.040
  114   2HG2  THR  15          2HG2      THR  15  11.795   7.927  -2.082
  115   3HG2  THR  15          3HG2      THR  15  11.866   8.735  -3.653
  116    H    ALA  16           HN       ALA  16  10.028   3.228  -2.226
  117    HA   ALA  16           HA       ALA  16  11.712   1.454  -3.506
  118   1HB   ALA  16          2HB       ALA  16   8.838   1.015  -2.630
  119   2HB   ALA  16          3HB       ALA  16   9.996  -0.274  -3.021
  120   3HB   ALA  16          1HB       ALA  16  10.313   0.805  -1.653
  121    H    GLU  17           HN       GLU  17  11.588   0.066  -5.290
  122    HA   GLU  17           HA       GLU  17  10.315   1.018  -7.655
  123   1HB   GLU  17          2HB       GLU  17  12.465  -0.284  -7.436
  124   2HB   GLU  17          3HB       GLU  17  11.532  -1.701  -6.902
  125   1HG   GLU  17          2HG       GLU  17  10.332  -1.706  -9.016
  126   2HG   GLU  17          3HG       GLU  17  11.143  -0.208  -9.502
  127    H    GLU  18           HN       GLU  18   8.311   0.401  -8.434
  128    HA   GLU  18           HA       GLU  18   6.334  -0.487  -6.763
  129   1HB   GLU  18          2HB       GLU  18   6.446  -0.516  -9.744
  130   2HB   GLU  18          3HB       GLU  18   4.978  -0.785  -8.764
  131   1HG   GLU  18          2HG       GLU  18   6.733   1.737  -8.657
  132   2HG   GLU  18          3HG       GLU  18   5.109   1.578  -9.303
  133    H    ARG  19           HN       ARG  19   8.495  -2.336  -8.746
  134    HA   ARG  19           HA       ARG  19   7.549  -4.927  -8.785
  135   1HB   ARG  19          2HB       ARG  19   9.751  -3.819  -9.581
  136   2HB   ARG  19          3HB       ARG  19  10.397  -4.187  -7.984
  137   1HG   ARG  19          2HG       ARG  19   9.401  -6.123 -10.130
  138   2HG   ARG  19          3HG       ARG  19  11.070  -5.712  -9.746
  139   1HD   ARG  19          2HD       ARG  19  10.799  -7.761  -8.771
  140   2HD   ARG  19          3HD       ARG  19  10.670  -6.653  -7.388
  141    HE   ARG  19           HE       ARG  19   8.086  -6.883  -7.946
  142   1HH1  ARG  19          2HH2      ARG  19  10.498  -9.394  -7.434
  143   2HH1  ARG  19          1HH2      ARG  19   9.349 -10.694  -7.391
  144   1HH2  ARG  19          2HH1      ARG  19   6.628  -8.525  -8.241
  145   2HH2  ARG  19          1HH1      ARG  19   6.973 -10.176  -7.791
  146    H    GLU  20           HN       GLU  20   9.195  -3.217  -6.075
  147    HA   GLU  20           HA       GLU  20   8.905  -5.508  -4.297
  148   1HB   GLU  20          2HB       GLU  20  10.928  -4.138  -4.250
  149   2HB   GLU  20          3HB       GLU  20   9.979  -2.707  -3.822
  150   1HG   GLU  20          2HG       GLU  20  11.097  -3.656  -1.864
  151   2HG   GLU  20          3HG       GLU  20   9.346  -3.711  -1.684
  152    H    ILE  21           HN       ILE  21   7.327  -2.347  -4.842
  153    HA   ILE  21           HA       ILE  21   5.634  -2.385  -2.545
  154    HB   ILE  21           HB       ILE  21   5.093  -1.449  -5.373
  155   1HG1  ILE  21          2HG1      ILE  21   6.895  -0.175  -4.341
  156   2HG1  ILE  21          3HG1      ILE  21   5.453   0.823  -4.426
  157   1HG2  ILE  21          2HG2      ILE  21   3.324  -1.006  -2.989
  158   2HG2  ILE  21          3HG2      ILE  21   3.256  -0.107  -4.514
  159   3HG2  ILE  21          1HG2      ILE  21   2.954  -1.832  -4.513
  160   1HD1  ILE  21          3HD1      ILE  21   5.012   0.221  -1.969
  161   2HD1  ILE  21          1HD1      ILE  21   6.627  -0.522  -1.975
  162   3HD1  ILE  21          2HD1      ILE  21   6.450   1.201  -2.277
  163    H    ARG  22           HN       ARG  22   5.272  -4.090  -5.650
  164    HA   ARG  22           HA       ARG  22   2.846  -5.406  -5.100
  165   1HB   ARG  22          2HB       ARG  22   4.923  -5.619  -7.061
  166   2HB   ARG  22          3HB       ARG  22   4.808  -7.218  -6.338
  167   1HG   ARG  22          2HG       ARG  22   3.274  -7.272  -8.117
  168   2HG   ARG  22          3HG       ARG  22   2.245  -7.005  -6.695
  169   1HD   ARG  22          2HD       ARG  22   2.437  -4.476  -7.238
  170   2HD   ARG  22          3HD       ARG  22   3.259  -4.965  -8.723
  171    HE   ARG  22           HE       ARG  22   0.628  -6.256  -8.286
  172   1HH1  ARG  22          2HH2      ARG  22   2.128  -3.294  -9.548
  173   2HH1  ARG  22          1HH2      ARG  22   1.078  -3.253 -10.927
  174   1HH2  ARG  22          2HH1      ARG  22  -0.830  -6.047  -9.846
  175   2HH2  ARG  22          1HH1      ARG  22  -0.959  -4.569 -10.808
  176    H    LYS  23           HN       LYS  23   6.155  -6.255  -4.069
  177    HA   LYS  23           HA       LYS  23   5.553  -8.668  -2.820
  178   1HB   LYS  23          2HB       LYS  23   7.861  -7.406  -3.428
  179   2HB   LYS  23          3HB       LYS  23   7.714  -6.852  -1.762
  180   1HG   LYS  23          2HG       LYS  23   9.061  -8.704  -1.651
  181   2HG   LYS  23          3HG       LYS  23   7.493  -9.302  -1.075
  182   1HD   LYS  23          2HD       LYS  23   7.064 -10.236  -3.391
  183   2HD   LYS  23          3HD       LYS  23   8.611  -9.545  -3.917
  184   1HE   LYS  23          2HE       LYS  23   9.734 -10.966  -2.104
  185   2HE   LYS  23          3HE       LYS  23   8.174 -11.782  -1.884
  186   1HZ   LYS  23          2HZ       LYS  23   8.324 -12.362  -4.282
  187   2HZ   LYS  23          3HZ       LYS  23   9.847 -11.709  -4.311
  188   3HZ   LYS  23          1HZ       LYS  23   9.543 -13.000  -3.372
  189    H    ALA  24           HN       ALA  24   5.934  -5.340  -1.485
  190    HA   ALA  24           HA       ALA  24   5.369  -5.908   1.182
  191   1HB   ALA  24          3HB       ALA  24   4.720  -3.384  -0.390
  192   2HB   ALA  24          1HB       ALA  24   4.763  -3.539   1.382
  193   3HB   ALA  24          2HB       ALA  24   6.249  -3.754   0.435
  194    H    TYR  25           HN       TYR  25   3.076  -4.926  -1.407
  195    HA   TYR  25           HA       TYR  25   0.741  -4.867   0.140
  196   1HB   TYR  25          2HB       TYR  25   0.714  -3.964  -2.001
  197   2HB   TYR  25          3HB       TYR  25   1.391  -5.397  -2.754
  198    HD1  TYR  25           HD1      TYR  25  -1.763  -4.112  -1.156
  199    HD2  TYR  25           HD2      TYR  25   0.060  -6.902  -3.895
  200    HE1  TYR  25           HE1      TYR  25  -3.974  -4.554  -2.189
  201    HE2  TYR  25           HE2      TYR  25  -2.139  -7.317  -4.931
  202    HH   TYR  25           HH       TYR  25  -5.131  -5.668  -3.937
  203    H    LYS  26           HN       LYS  26   2.094  -7.748  -1.589
  204    HA   LYS  26           HA       LYS  26   0.130  -9.503  -0.669
  205   1HB   LYS  26          2HB       LYS  26   3.019  -9.946  -1.468
  206   2HB   LYS  26          3HB       LYS  26   1.883 -11.270  -1.133
  207   1HG   LYS  26          2HG       LYS  26   0.334 -10.320  -2.886
  208   2HG   LYS  26          3HG       LYS  26   1.587  -9.158  -3.322
  209   1HD   LYS  26          2HD       LYS  26   1.726 -12.201  -3.469
  210   2HD   LYS  26          3HD       LYS  26   1.638 -11.069  -4.825
  211   1HE   LYS  26          2HE       LYS  26   3.885 -10.119  -4.090
  212   2HE   LYS  26          3HE       LYS  26   3.971 -11.391  -2.855
  213   1HZ   LYS  26          3HZ       LYS  26   3.846 -13.031  -4.638
  214   2HZ   LYS  26          1HZ       LYS  26   3.872 -11.830  -5.753
  215   3HZ   LYS  26          2HZ       LYS  26   5.176 -12.085  -4.775
  216    H    ARG  27           HN       ARG  27   3.394  -8.844   0.560
  217    HA   ARG  27           HA       ARG  27   3.603 -10.559   2.714
  218   1HB   ARG  27          2HB       ARG  27   5.332  -8.917   1.751
  219   2HB   ARG  27          3HB       ARG  27   4.490  -7.623   2.589
  220   1HG   ARG  27          2HG       ARG  27   6.383  -8.165   3.821
  221   2HG   ARG  27          3HG       ARG  27   5.005  -8.686   4.789
  222   1HD   ARG  27          2HD       ARG  27   6.092 -10.725   2.887
  223   2HD   ARG  27          3HD       ARG  27   7.246 -10.187   4.121
  224    HE   ARG  27           HE       ARG  27   4.890 -10.788   5.515
  225   1HH1  ARG  27          2HH2      ARG  27   7.285 -12.416   3.474
  226   2HH1  ARG  27          1HH2      ARG  27   7.132 -13.966   4.245
  227   1HH2  ARG  27          2HH1      ARG  27   4.853 -12.749   6.713
  228   2HH2  ARG  27          1HH1      ARG  27   5.647 -14.191   6.057
  229    H    LEU  28           HN       LEU  28   2.176  -7.326   2.607
  230    HA   LEU  28           HA       LEU  28   1.637  -6.991   5.383
  231   1HB   LEU  28          2HB       LEU  28   0.652  -5.797   2.757
  232   2HB   LEU  28          3HB       LEU  28  -0.008  -5.299   4.304
  233    HG   LEU  28           HG       LEU  28   2.974  -5.253   3.887
  234   1HD1  LEU  28          2HD1      LEU  28   1.604  -3.946   2.088
  235   2HD1  LEU  28          3HD1      LEU  28   1.222  -2.845   3.420
  236   3HD1  LEU  28          1HD1      LEU  28   2.916  -3.166   2.932
  237   1HD2  LEU  28          1HD2      LEU  28   1.129  -3.668   5.736
  238   2HD2  LEU  28          2HD2      LEU  28   2.223  -4.976   6.227
  239   3HD2  LEU  28          3HD2      LEU  28   2.883  -3.463   5.598
  240    H    ALA  29           HN       ALA  29  -0.354  -7.975   2.539
  241    HA   ALA  29           HA       ALA  29  -2.751  -8.192   3.929
  242   1HB   ALA  29          2HB       ALA  29  -2.640  -8.279   1.500
  243   2HB   ALA  29          3HB       ALA  29  -1.804  -9.848   1.540
  244   3HB   ALA  29          1HB       ALA  29  -3.484  -9.717   2.094
  245    H    MET  30           HN       MET  30  -0.105 -10.570   3.594
  246    HA   MET  30           HA       MET  30  -1.363 -12.718   5.013
  247   1HB   MET  30          2HB       MET  30   1.604 -12.044   4.879
  248   2HB   MET  30          3HB       MET  30   0.903 -13.598   5.316
  249   1HG   MET  30          2HG       MET  30   0.456 -12.309   2.592
  250   2HG   MET  30          3HG       MET  30   1.815 -13.356   2.948
  251   1HE   MET  30          1HE       MET  30   1.182 -14.670   0.858
  252   2HE   MET  30          2HE       MET  30  -0.407 -15.425   0.578
  253   3HE   MET  30          3HE       MET  30  -0.253 -13.651   0.583
  254    H    LYS  31           HN       LYS  31   0.409  -9.840   6.028
  255    HA   LYS  31           HA       LYS  31   1.085 -10.536   8.663
  256   1HB   LYS  31          2HB       LYS  31   1.615  -8.536   6.996
  257   2HB   LYS  31          3HB       LYS  31   0.431  -7.686   7.963
  258   1HG   LYS  31          2HG       LYS  31   2.818  -9.178   9.182
  259   2HG   LYS  31          3HG       LYS  31   3.065  -7.645   8.383
  260   1HD   LYS  31          2HD       LYS  31   1.350  -8.096  10.844
  261   2HD   LYS  31          3HD       LYS  31   2.906  -7.265  10.736
  262   1HE   LYS  31          2HE       LYS  31   1.608  -5.790   8.907
  263   2HE   LYS  31          3HE       LYS  31   0.173  -6.343   9.796
  264   1HZ   LYS  31          2HZ       LYS  31   1.231  -5.344  11.801
  265   2HZ   LYS  31          3HZ       LYS  31   2.451  -4.807  10.831
  266   3HZ   LYS  31          1HZ       LYS  31   0.927  -4.284  10.538
  267    H    TYR  32           HN       TYR  32  -1.969  -9.225   7.298
  268    HA   TYR  32           HA       TYR  32  -3.336  -9.954   9.853
  269   1HB   TYR  32          2HB       TYR  32  -4.970  -8.198   9.176
  270   2HB   TYR  32          3HB       TYR  32  -3.443  -7.632   9.828
  271    HD1  TYR  32           HD1      TYR  32  -5.533  -7.861   6.745
  272    HD2  TYR  32           HD2      TYR  32  -1.914  -6.325   8.510
  273    HE1  TYR  32           HE1      TYR  32  -4.907  -6.871   4.589
  274    HE2  TYR  32           HE2      TYR  32  -1.321  -5.282   6.367
  275    HH   TYR  32           HH       TYR  32  -3.155  -5.992   3.391
  276    H    HIS  33           HN       HIS  33  -2.722 -11.800   7.977
  277    HA   HIS  33           HA       HIS  33  -4.012 -12.519   5.872
  278   1HB   HIS  33          2HB       HIS  33  -2.666 -13.939   7.643
  279   2HB   HIS  33          3HB       HIS  33  -4.244 -14.555   8.067
  280    HD1  HIS  33           HD1      HIS  33  -1.537 -15.731   6.230
  281    HD2  HIS  33           HD2      HIS  33  -5.605 -15.123   5.299
  282    HE1  HIS  33           HE1      HIS  33  -2.053 -17.207   4.235
  283    HA   PRO  34           HA       PRO  34  -8.267 -11.575   7.078
  284   1HB   PRO  34          2HB       PRO  34  -9.484 -11.628   4.627
  285   2HB   PRO  34          3HB       PRO  34  -8.399 -10.313   5.136
  286   1HG   PRO  34          2HG       PRO  34  -7.692 -12.718   3.448
  287   2HG   PRO  34          3HG       PRO  34  -7.317 -10.994   3.130
  288   1HD   PRO  34          2HD       PRO  34  -5.519 -12.678   4.270
  289   2HD   PRO  34          3HD       PRO  34  -5.628 -10.968   4.806
  290    H    ASP  35           HN       ASP  35 -10.500 -12.567   6.449
  291    HA   ASP  35           HA       ASP  35 -11.910 -14.223   7.051
  292   1HB   ASP  35          2HB       ASP  35 -11.645 -15.781   5.373
  293   2HB   ASP  35          3HB       ASP  35  -9.909 -16.021   5.658
  294    H    ARG  36           HN       ARG  36  -8.885 -15.853   7.761
  295    HA   ARG  36           HA       ARG  36  -9.534 -16.204  10.553
  296   1HB   ARG  36          2HB       ARG  36  -7.263 -17.284  10.622
  297   2HB   ARG  36          3HB       ARG  36  -8.392 -17.938   9.456
  298   1HG   ARG  36          2HG       ARG  36  -7.140 -17.495   7.657
  299   2HG   ARG  36          3HG       ARG  36  -6.779 -15.847   8.181
  300   1HD   ARG  36          2HD       ARG  36  -5.332 -18.329   9.156
  301   2HD   ARG  36          3HD       ARG  36  -4.707 -17.094   8.041
  302    HE   ARG  36           HE       ARG  36  -5.603 -15.761  10.365
  303   1HH1  ARG  36          2HH2      ARG  36  -2.777 -17.725   9.393
  304   2HH1  ARG  36          1HH2      ARG  36  -1.966 -17.360  10.917
  305   1HH2  ARG  36          2HH1      ARG  36  -4.473 -15.439  12.373
  306   2HH2  ARG  36          1HH1      ARG  36  -2.850 -16.087  12.446
  307    H    ASN  37           HN       ASN  37  -9.704 -13.626  10.403
  308    HA   ASN  37           HA       ASN  37  -7.403 -12.513  11.915
  309   1HB   ASN  37          2HB       ASN  37  -7.563 -10.403  10.913
  310   2HB   ASN  37          3HB       ASN  37  -7.482 -11.512   9.560
  311   1HD2  ASN  37          2HD2      ASN  37 -11.202 -10.830   9.034
  312   2HD2  ASN  37          1HD2      ASN  37 -10.369 -12.308   9.442
  313    H    GLN  38           HN       GLN  38  -9.690 -13.968  12.756
  314    HA   GLN  38           HA       GLN  38 -11.986 -12.309  13.023
  315   1HB   GLN  38          2HB       GLN  38 -11.042 -14.963  14.287
  316   2HB   GLN  38          3HB       GLN  38 -12.563 -14.201  14.759
  317   1HG   GLN  38          2HG       GLN  38 -11.878 -15.262  12.025
  318   2HG   GLN  38          3HG       GLN  38 -13.133 -15.823  13.128
  319   1HE2  GLN  38          2HE2      GLN  38 -14.136 -13.153  10.362
  320   2HE2  GLN  38          1HE2      GLN  38 -12.723 -14.185  10.279
  321    H    GLY  39           HN       GLY  39 -12.928 -11.412  14.954
  322   1HA   GLY  39          1HA       GLY  39 -12.872 -10.438  17.064
  323   2HA   GLY  39          2HA       GLY  39 -11.253 -11.080  17.359
  324    H    ASP  40           HN       ASP  40  -9.919 -10.010  14.975
  325    HA   ASP  40           HA       ASP  40  -9.515  -7.360  15.747
  326   1HB   ASP  40          2HB       ASP  40  -7.907  -8.979  14.444
  327   2HB   ASP  40          3HB       ASP  40  -8.736  -8.356  13.020
  328    H    LYS  41           HN       LYS  41  -9.631  -5.675  13.766
  329    HA   LYS  41           HA       LYS  41 -11.903  -5.807  12.065
  330   1HB   LYS  41          2HB       LYS  41 -12.285  -4.469  14.717
  331   2HB   LYS  41          3HB       LYS  41 -12.740  -3.543  13.292
  332   1HG   LYS  41          2HG       LYS  41 -14.066  -5.712  12.571
  333   2HG   LYS  41          3HG       LYS  41 -13.832  -6.216  14.233
  334   1HD   LYS  41          2HD       LYS  41 -16.031  -5.118  13.859
  335   2HD   LYS  41          3HD       LYS  41 -15.046  -4.303  15.080
  336   1HE   LYS  41          2HE       LYS  41 -16.263  -2.754  13.494
  337   2HE   LYS  41          3HE       LYS  41 -14.543  -2.465  13.634
  338   1HZ   LYS  41          1HZ       LYS  41 -14.298  -3.750  11.473
  339   2HZ   LYS  41          2HZ       LYS  41 -15.935  -3.715  11.344
  340   3HZ   LYS  41          3HZ       LYS  41 -15.065  -2.327  11.427
  341    H    GLU  42           HN       GLU  42  -9.638  -3.657  13.870
  342    HA   GLU  42           HA       GLU  42  -9.507  -1.709  11.842
  343   1HB   GLU  42          2HB       GLU  42  -7.414  -1.035  12.660
  344   2HB   GLU  42          3HB       GLU  42  -8.526  -1.239  14.011
  345   1HG   GLU  42          2HG       GLU  42  -7.455  -3.268  14.722
  346   2HG   GLU  42          3HG       GLU  42  -6.504  -3.387  13.233
  347    H    ALA  43           HN       ALA  43  -8.078  -4.951  11.974
  348    HA   ALA  43           HA       ALA  43  -6.208  -4.990  10.052
  349   1HB   ALA  43          3HB       ALA  43  -8.589  -6.870  10.375
  350   2HB   ALA  43          1HB       ALA  43  -7.152  -7.244   9.405
  351   3HB   ALA  43          2HB       ALA  43  -7.013  -7.051  11.157
  352    H    GLU  44           HN       GLU  44  -9.726  -4.756   9.516
  353    HA   GLU  44           HA       GLU  44  -9.609  -4.912   6.664
  354   1HB   GLU  44          2HB       GLU  44 -11.602  -5.209   8.178
  355   2HB   GLU  44          3HB       GLU  44 -11.724  -3.455   8.323
  356   1HG   GLU  44          2HG       GLU  44 -12.012  -3.266   5.869
  357   2HG   GLU  44          3HG       GLU  44 -11.787  -5.016   5.694
  358    H    ALA  45           HN       ALA  45  -9.856  -2.079   8.892
  359    HA   ALA  45           HA       ALA  45  -9.728  -0.173   6.868
  360   1HB   ALA  45          2HB       ALA  45 -10.475   0.311   9.207
  361   2HB   ALA  45          3HB       ALA  45  -8.808   0.087   9.773
  362   3HB   ALA  45          1HB       ALA  45  -9.202   1.434   8.683
  363    H    LYS  46           HN       LYS  46  -7.222  -1.906   8.583
  364    HA   LYS  46           HA       LYS  46  -5.051  -0.277   7.754
  365   1HB   LYS  46          2HB       LYS  46  -5.251  -2.126   9.637
  366   2HB   LYS  46          3HB       LYS  46  -4.748  -3.250   8.360
  367   1HG   LYS  46          2HG       LYS  46  -2.722  -1.886   7.974
  368   2HG   LYS  46          3HG       LYS  46  -3.333  -0.649   9.074
  369   1HD   LYS  46          2HD       LYS  46  -3.370  -2.598  10.887
  370   2HD   LYS  46          3HD       LYS  46  -2.274  -3.406   9.774
  371   1HE   LYS  46          2HE       LYS  46  -0.818  -2.159  11.203
  372   2HE   LYS  46          3HE       LYS  46  -0.954  -1.117   9.779
  373   1HZ   LYS  46          1HZ       LYS  46  -2.922  -0.114  11.211
  374   2HZ   LYS  46          2HZ       LYS  46  -2.066  -0.772  12.439
  375   3HZ   LYS  46          3HZ       LYS  46  -1.320   0.299  11.503
  376    H    PHE  47           HN       PHE  47  -6.613  -3.268   6.530
  377    HA   PHE  47           HA       PHE  47  -5.019  -3.485   4.209
  378   1HB   PHE  47          2HB       PHE  47  -6.583  -5.279   4.918
  379   2HB   PHE  47          3HB       PHE  47  -7.944  -4.241   4.563
  380    HD1  PHE  47          2HD       PHE  47  -4.799  -5.007   2.607
  381    HD2  PHE  47          1HD       PHE  47  -9.109  -4.789   2.627
  382    HE1  PHE  47          2HE       PHE  47  -4.833  -5.541   0.203
  383    HE2  PHE  47          1HE       PHE  47  -9.129  -5.299   0.209
  384    HZ   PHE  47           HZ       PHE  47  -6.989  -5.645  -1.013
  385    H    LYS  48           HN       LYS  48  -7.814  -1.370   4.980
  386    HA   LYS  48           HA       LYS  48  -8.227  -0.521   2.291
  387   1HB   LYS  48          2HB       LYS  48  -8.931   0.919   4.848
  388   2HB   LYS  48          3HB       LYS  48  -9.356   1.440   3.215
  389   1HG   LYS  48          2HG       LYS  48 -10.639  -0.593   2.819
  390   2HG   LYS  48          3HG       LYS  48 -10.003  -1.306   4.277
  391   1HD   LYS  48          2HD       LYS  48 -12.173  -0.748   4.879
  392   2HD   LYS  48          3HD       LYS  48 -11.242   0.569   5.584
  393   1HE   LYS  48          2HE       LYS  48 -12.879   0.671   3.012
  394   2HE   LYS  48          3HE       LYS  48 -13.272   1.377   4.581
  395   1HZ   LYS  48          2HZ       LYS  48 -11.086   2.692   4.225
  396   2HZ   LYS  48          3HZ       LYS  48 -11.271   2.266   2.639
  397   3HZ   LYS  48          1HZ       LYS  48 -12.428   3.113   3.373
  398    H    GLU  49           HN       GLU  49  -6.167   0.858   4.995
  399    HA   GLU  49           HA       GLU  49  -5.342   3.083   3.411
  400   1HB   GLU  49          2HB       GLU  49  -3.963   3.675   5.107
  401   2HB   GLU  49          3HB       GLU  49  -5.342   2.954   5.925
  402   1HG   GLU  49          2HG       GLU  49  -4.067   0.955   6.376
  403   2HG   GLU  49          3HG       GLU  49  -2.693   1.550   5.466
  404    H    ILE  50           HN       ILE  50  -3.928  -0.127   4.042
  405    HA   ILE  50           HA       ILE  50  -1.655   0.170   2.370
  406    HB   ILE  50           HB       ILE  50  -3.223  -2.307   3.124
  407   1HG1  ILE  50          2HG1      ILE  50  -0.555  -1.357   4.250
  408   2HG1  ILE  50          3HG1      ILE  50  -2.069  -0.806   4.956
  409   1HG2  ILE  50          2HG2      ILE  50  -0.475  -2.014   1.827
  410   2HG2  ILE  50          3HG2      ILE  50  -1.064  -3.527   2.527
  411   3HG2  ILE  50          1HG2      ILE  50  -1.882  -2.836   1.142
  412   1HD1  ILE  50          3HD1      ILE  50  -2.780  -3.181   5.297
  413   2HD1  ILE  50          1HD1      ILE  50  -1.205  -3.675   4.686
  414   3HD1  ILE  50          2HD1      ILE  50  -1.299  -2.765   6.186
  415    H    LYS  51           HN       LYS  51  -5.018  -0.721   1.550
  416    HA   LYS  51           HA       LYS  51  -4.470  -1.634  -1.105
  417   1HB   LYS  51          2HB       LYS  51  -6.533  -2.178   0.143
  418   2HB   LYS  51          3HB       LYS  51  -7.007  -0.480   0.114
  419   1HG   LYS  51          2HG       LYS  51  -6.578  -1.222  -2.630
  420   2HG   LYS  51          3HG       LYS  51  -7.331  -2.608  -1.850
  421   1HD   LYS  51          2HD       LYS  51  -9.200  -1.333  -2.566
  422   2HD   LYS  51          3HD       LYS  51  -9.052  -0.974  -0.850
  423   1HE   LYS  51          2HE       LYS  51  -9.444   1.102  -1.876
  424   2HE   LYS  51          3HE       LYS  51  -7.710   1.128  -1.580
  425   1HZ   LYS  51          1HZ       LYS  51  -7.726   0.187  -4.068
  426   2HZ   LYS  51          2HZ       LYS  51  -9.170   0.938  -4.095
  427   3HZ   LYS  51          3HZ       LYS  51  -7.836   1.789  -3.774
  428    H    GLU  52           HN       GLU  52  -5.572   1.534   0.241
  429    HA   GLU  52           HA       GLU  52  -5.713   2.798  -2.346
  430   1HB   GLU  52          2HB       GLU  52  -6.868   3.474  -0.225
  431   2HB   GLU  52          3HB       GLU  52  -5.346   4.220   0.305
  432   1HG   GLU  52          2HG       GLU  52  -6.674   4.861  -2.377
  433   2HG   GLU  52          3HG       GLU  52  -7.215   5.646  -0.887
  434    H    ALA  53           HN       ALA  53  -3.272   2.652   0.268
  435    HA   ALA  53           HA       ALA  53  -1.349   4.218  -0.925
  436   1HB   ALA  53          3HB       ALA  53  -0.940   1.788   0.830
  437   2HB   ALA  53          1HB       ALA  53   0.314   2.994   0.432
  438   3HB   ALA  53          2HB       ALA  53  -1.115   3.468   1.371
  439    H    TYR  54           HN       TYR  54  -1.728   0.721  -1.175
  440    HA   TYR  54           HA       TYR  54   0.269   0.133  -3.061
  441   1HB   TYR  54          2HB       TYR  54  -0.789  -1.636  -1.858
  442   2HB   TYR  54          3HB       TYR  54  -2.396  -1.127  -2.370
  443    HD1  TYR  54           HD1      TYR  54   0.819  -2.428  -3.786
  444    HD2  TYR  54           HD2      TYR  54  -3.451  -2.064  -4.220
  445    HE1  TYR  54           HE1      TYR  54   0.867  -4.046  -5.660
  446    HE2  TYR  54           HE2      TYR  54  -3.394  -3.613  -6.137
  447    HH   TYR  54           HH       TYR  54  -2.048  -4.753  -7.589
  448    H    GLU  55           HN       GLU  55  -3.203   1.230  -3.628
  449    HA   GLU  55           HA       GLU  55  -3.262   0.780  -6.367
  450   1HB   GLU  55          2HB       GLU  55  -5.321   1.034  -5.307
  451   2HB   GLU  55          3HB       GLU  55  -4.718   2.313  -4.264
  452   1HG   GLU  55          2HG       GLU  55  -4.639   3.897  -5.898
  453   2HG   GLU  55          3HG       GLU  55  -5.012   2.675  -7.172
  454    H    VAL  56           HN       VAL  56  -2.454   3.645  -4.351
  455    HA   VAL  56           HA       VAL  56  -1.921   5.384  -6.517
  456    HB   VAL  56           HB       VAL  56  -1.198   5.310  -3.594
  457   1HG1  VAL  56          1HG1      VAL  56  -0.209   7.401  -5.567
  458   2HG1  VAL  56          2HG1      VAL  56  -0.311   7.669  -3.820
  459   3HG1  VAL  56          3HG1      VAL  56   0.772   6.428  -4.453
  460   1HG2  VAL  56          2HG2      VAL  56  -3.486   5.967  -4.477
  461   2HG2  VAL  56          3HG2      VAL  56  -2.695   7.269  -3.549
  462   3HG2  VAL  56          1HG2      VAL  56  -2.686   7.330  -5.289
  463    H    LEU  57           HN       LEU  57   0.286   3.367  -4.529
  464    HA   LEU  57           HA       LEU  57   2.639   4.217  -5.868
  465   1HB   LEU  57          2HB       LEU  57   2.047   1.747  -4.284
  466   2HB   LEU  57          3HB       LEU  57   3.655   2.215  -4.873
  467    HG   LEU  57           HG       LEU  57   1.931   3.840  -2.953
  468   1HD1  LEU  57          3HD1      LEU  57   3.087   1.796  -2.063
  469   2HD1  LEU  57          1HD1      LEU  57   4.626   2.532  -2.577
  470   3HD1  LEU  57          2HD1      LEU  57   3.641   3.318  -1.329
  471   1HD2  LEU  57          3HD2      LEU  57   4.560   4.504  -4.307
  472   2HD2  LEU  57          1HD2      LEU  57   3.083   5.492  -4.223
  473   3HD2  LEU  57          2HD2      LEU  57   4.048   5.251  -2.774
  474    H    THR  58           HN       THR  58   0.554   1.366  -6.539
  475    HA   THR  58           HA       THR  58   2.056   0.926  -9.019
  476    HB   THR  58           HB       THR  58   0.498  -0.892  -9.409
  477    HG1  THR  58          1HG       THR  58  -0.710   0.032  -7.018
  478   1HG2  THR  58          1HG2      THR  58   2.502  -1.175  -7.934
  479   2HG2  THR  58          2HG2      THR  58   1.502  -0.816  -6.524
  480   3HG2  THR  58          3HG2      THR  58   1.163  -2.257  -7.497
  481    H    ASP  59           HN       ASP  59   0.463   3.591  -8.559
  482    HA   ASP  59           HA       ASP  59  -1.371   3.459 -10.904
  483   1HB   ASP  59          2HB       ASP  59  -1.953   4.629  -8.627
  484   2HB   ASP  59          3HB       ASP  59  -0.916   5.915  -9.206
  485    H    SER  60           HN       SER  60  -1.158   5.918 -11.921
  486    HA   SER  60           HA       SER  60   1.644   6.222 -12.901
  487   1HB   SER  60          2HB       SER  60   0.216   5.435 -14.692
  488   2HB   SER  60          3HB       SER  60  -1.001   6.666 -14.343
  489    HG   SER  60           HG       SER  60   1.568   6.959 -15.474
  490    H    GLN  61           HN       GLN  61  -1.401   8.261 -12.875
  491    HA   GLN  61           HA       GLN  61   0.168  10.591 -12.401
  492   1HB   GLN  61          2HB       GLN  61  -1.893  10.783 -13.620
  493   2HB   GLN  61          3HB       GLN  61  -2.831  10.020 -12.313
  494   1HG   GLN  61          2HG       GLN  61  -2.381  11.841 -10.814
  495   2HG   GLN  61          3HG       GLN  61  -1.230  12.572 -11.969
  496   1HE2  GLN  61          2HE2      GLN  61  -5.335  12.974 -12.326
  497   2HE2  GLN  61          1HE2      GLN  61  -4.637  11.703 -11.337
  498    H    LYS  62           HN       LYS  62  -1.995   8.673 -10.336
  499    HA   LYS  62           HA       LYS  62  -1.943  10.342  -8.035
  500   1HB   LYS  62          2HB       LYS  62  -2.864   7.715  -8.799
  501   2HB   LYS  62          3HB       LYS  62  -2.021   7.559  -7.283
  502   1HG   LYS  62          2HG       LYS  62  -3.487   9.262  -6.293
  503   2HG   LYS  62          3HG       LYS  62  -4.272   9.588  -7.834
  504   1HD   LYS  62          2HD       LYS  62  -4.265   6.720  -6.795
  505   2HD   LYS  62          3HD       LYS  62  -5.295   7.900  -5.994
  506   1HE   LYS  62          2HE       LYS  62  -6.492   6.638  -7.722
  507   2HE   LYS  62          3HE       LYS  62  -6.496   8.384  -8.024
  508   1HZ   LYS  62          2HZ       LYS  62  -4.691   6.505  -9.427
  509   2HZ   LYS  62          3HZ       LYS  62  -6.144   7.017  -9.959
  510   3HZ   LYS  62          1HZ       LYS  62  -4.954   8.124  -9.752
  511    H    ARG  63           HN       ARG  63   0.183   7.866  -9.193
  512    HA   ARG  63           HA       ARG  63   1.941   7.561  -6.937
  513   1HB   ARG  63          2HB       ARG  63   1.461   6.105  -9.037
  514   2HB   ARG  63          3HB       ARG  63   2.629   7.097  -9.875
  515   1HG   ARG  63          2HG       ARG  63   3.035   5.407  -7.449
  516   2HG   ARG  63          3HG       ARG  63   3.545   5.018  -9.103
  517   1HD   ARG  63          2HD       ARG  63   5.223   6.815  -8.956
  518   2HD   ARG  63          3HD       ARG  63   4.762   7.105  -7.260
  519    HE   ARG  63           HE       ARG  63   5.193   4.393  -7.236
  520   1HH1  ARG  63          2HH2      ARG  63   7.245   6.970  -8.575
  521   2HH1  ARG  63          1HH2      ARG  63   8.679   5.995  -8.397
  522   1HH2  ARG  63          2HH1      ARG  63   7.032   3.322  -6.825
  523   2HH2  ARG  63          1HH1      ARG  63   8.617   3.951  -7.267
  524    H    ALA  64           HN       ALA  64   2.126   9.214 -10.075
  525    HA   ALA  64           HA       ALA  64   4.604  10.470  -9.824
  526   1HB   ALA  64          3HB       ALA  64   3.247  10.250 -11.953
  527   2HB   ALA  64          1HB       ALA  64   2.160  11.513 -11.340
  528   3HB   ALA  64          2HB       ALA  64   3.855  11.879 -11.675
  529    H    ALA  65           HN       ALA  65   1.508  11.414  -8.396
  530    HA   ALA  65           HA       ALA  65   1.790  14.120  -8.147
  531   1HB   ALA  65          3HB       ALA  65  -0.128  12.679  -7.211
  532   2HB   ALA  65          1HB       ALA  65   0.919  12.366  -5.819
  533   3HB   ALA  65          2HB       ALA  65   0.402  14.019  -6.164
  534    H    TYR  66           HN       TYR  66   3.369  11.656  -6.111
  535    HA   TYR  66           HA       TYR  66   4.437  13.509  -4.211
  536   1HB   TYR  66          2HB       TYR  66   4.267  11.014  -3.874
  537   2HB   TYR  66          3HB       TYR  66   5.469  10.768  -5.143
  538    HD1  TYR  66           HD2      TYR  66   4.894  12.054  -1.742
  539    HD2  TYR  66           HD1      TYR  66   7.862  11.097  -4.702
  540    HE1  TYR  66           HE2      TYR  66   6.685  12.579  -0.111
  541    HE2  TYR  66           HE1      TYR  66   9.654  11.596  -3.069
  542    HH   TYR  66           HH       TYR  66   8.855  13.460  -0.245
  543    H    ASP  67           HN       ASP  67   5.764  11.991  -7.172
  544    HA   ASP  67           HA       ASP  67   8.339  13.221  -7.027
  545   1HB   ASP  67          2HB       ASP  67   7.703  11.159  -8.319
  546   2HB   ASP  67          3HB       ASP  67   6.827  12.182  -9.469
  547    H    GLN  68           HN       GLN  68   5.233  14.191  -8.308
  548    HA   GLN  68           HA       GLN  68   6.129  16.513  -9.815
  549   1HB   GLN  68          2HB       GLN  68   3.667  14.891  -9.435
  550   2HB   GLN  68          3HB       GLN  68   3.370  16.573  -9.286
  551   1HG   GLN  68          2HG       GLN  68   3.081  15.982 -11.589
  552   2HG   GLN  68          3HG       GLN  68   4.507  17.011 -11.456
  553   1HE2  GLN  68          2HE2      GLN  68   6.026  13.270 -11.747
  554   2HE2  GLN  68          1HE2      GLN  68   5.176  13.772 -10.316
  555    H    TYR  69           HN       TYR  69   5.883  15.814  -6.547
  556    HA   TYR  69           HA       TYR  69   5.482  16.769  -4.682
  557   1HB   TYR  69          2HB       TYR  69   6.692  18.718  -4.256
  558   2HB   TYR  69          3HB       TYR  69   7.595  17.662  -5.300
  559    HD1  TYR  69           HD1      TYR  69   8.010  18.236  -7.675
  560    HD2  TYR  69           HD2      TYR  69   6.124  21.005  -4.960
  561    HE1  TYR  69           HE1      TYR  69   8.235  20.056  -9.357
  562    HE2  TYR  69           HE2      TYR  69   6.444  22.821  -6.594
  563    HH   TYR  69           HH       TYR  69   8.350  22.603  -9.367
  564    H    GLY  70           HN       GLY  70   3.246  16.380  -5.259
  565   1HA   GLY  70          1HA       GLY  70   1.461  18.326  -6.105
  566   2HA   GLY  70          2HA       GLY  70   1.021  17.013  -5.011
  567    H    HIS  71           HN       HIS  71   2.512  17.742  -2.934
  568    HA   HIS  71           HA       HIS  71   1.890  20.489  -2.008
  569   1HB   HIS  71          2HB       HIS  71   0.870  17.976  -0.707
  570   2HB   HIS  71          3HB       HIS  71   1.457  19.273   0.329
  571    HD1  HIS  71           HD1      HIS  71  -1.715  18.184  -0.551
  572    HD2  HIS  71           HD2      HIS  71   0.336  21.865  -0.633
  573    HE1  HIS  71           HE1      HIS  71  -3.474  20.012  -0.295
  574    H    ALA  72           HN       ALA  72   4.029  20.415  -2.851
  575    HA   ALA  72           HA       ALA  72   6.366  20.255  -2.680
  576   1HB   ALA  72          2HB       ALA  72   5.520  22.128  -1.298
  577   2HB   ALA  72          3HB       ALA  72   5.654  21.095   0.128
  578   3HB   ALA  72          1HB       ALA  72   7.100  21.519  -0.812
  579    H    ALA  73           HN       ALA  73   5.601  17.780  -2.771
  580    HA   ALA  73           HA       ALA  73   5.559  16.378  -0.370
  581   1HB   ALA  73          2HB       ALA  73   4.300  15.824  -2.495
  582   2HB   ALA  73          3HB       ALA  73   5.813  15.088  -3.086
  583   3HB   ALA  73          1HB       ALA  73   5.010  14.455  -1.636
  584    H    PHE  74           HN       PHE  74   8.222  16.918  -2.588
  585    HA   PHE  74           HA       PHE  74  10.027  15.008  -1.325
  586   1HB   PHE  74          2HB       PHE  74  10.502  17.463  -3.061
  587   2HB   PHE  74          3HB       PHE  74  11.752  16.407  -2.462
  588    HD1  PHE  74          2HD       PHE  74  11.335  13.779  -2.849
  589    HD2  PHE  74          1HD       PHE  74  10.040  17.041  -5.360
  590    HE1  PHE  74          2HE       PHE  74  11.510  12.322  -4.845
  591    HE2  PHE  74          1HE       PHE  74  10.346  15.618  -7.343
  592    HZ   PHE  74           HZ       PHE  74  11.042  13.253  -7.106
  593    H    GLU  75           HN       GLU  75   9.176  18.450  -0.928
  594    HA   GLU  75           HA       GLU  75  11.204  18.948   1.051
  595   1HB   GLU  75          2HB       GLU  75   8.721  20.488   0.200
  596   2HB   GLU  75          3HB       GLU  75  10.006  21.151   1.179
  597   1HG   GLU  75          2HG       GLU  75  10.390  20.164  -1.690
  598   2HG   GLU  75          3HG       GLU  75  10.185  21.849  -1.173
  599    H    GLN  76           HN       GLN  76   8.333  17.217   1.342
  600    HA   GLN  76           HA       GLN  76   7.190  18.216   3.737
  601   1HB   GLN  76          2HB       GLN  76   7.014  15.757   2.020
  602   2HB   GLN  76          3HB       GLN  76   6.408  15.653   3.636
  603   1HG   GLN  76          2HG       GLN  76   4.937  17.612   3.287
  604   2HG   GLN  76          3HG       GLN  76   5.425  17.649   1.590
  605   1HE2  GLN  76          2HE2      GLN  76   3.812  14.242   1.199
  606   2HE2  GLN  76          1HE2      GLN  76   5.490  14.777   1.112
   
  No H/Q in entry =         606
  Start of MODEL   17
    1   1H    ALA   2          2HN       ALA   2   7.352  13.298  12.841
    2   2H    ALA   2          3HN       ALA   2   8.801  12.538  12.619
    3   3H    ALA   2          1HN       ALA   2   8.259  13.547  11.462
    4    HA   ALA   2           HA       ALA   2   7.926  11.380  10.725
    5   1HB   ALA   2          1HB       ALA   2   7.971  10.333  12.979
    6   2HB   ALA   2          2HB       ALA   2   6.348  10.970  13.305
    7   3HB   ALA   2          3HB       ALA   2   6.577   9.764  12.026
    8    H    LYS   3           HN       LYS   3   6.022  10.820   9.458
    9    HA   LYS   3           HA       LYS   3   3.468  12.197   9.922
   10   1HB   LYS   3          2HB       LYS   3   5.201  12.582   7.436
   11   2HB   LYS   3          3HB       LYS   3   3.457  12.835   7.437
   12   1HG   LYS   3          2HG       LYS   3   3.730  14.605   9.160
   13   2HG   LYS   3          3HG       LYS   3   5.476  14.368   9.144
   14   1HD   LYS   3          2HD       LYS   3   5.806  15.428   7.187
   15   2HD   LYS   3          3HD       LYS   3   4.358  14.800   6.419
   16   1HE   LYS   3          2HE       LYS   3   4.298  16.984   8.552
   17   2HE   LYS   3          3HE       LYS   3   4.424  17.338   6.832
   18   1HZ   LYS   3          3HZ       LYS   3   2.160  15.788   7.922
   19   2HZ   LYS   3          1HZ       LYS   3   2.129  17.407   7.718
   20   3HZ   LYS   3          2HZ       LYS   3   2.325  16.395   6.432
   21    H    GLN   4           HN       GLN   4   1.809  11.155   8.441
   22    HA   GLN   4           HA       GLN   4   2.329   8.305   8.046
   23   1HB   GLN   4          2HB       GLN   4  -0.002   9.991   8.042
   24   2HB   GLN   4          3HB       GLN   4   0.138   9.263   6.447
   25   1HG   GLN   4          2HG       GLN   4  -1.143   7.732   7.593
   26   2HG   GLN   4          3HG       GLN   4   0.456   6.996   7.687
   27   1HE2  GLN   4          2HE2      GLN   4   0.636   7.578  11.285
   28   2HE2  GLN   4          1HE2      GLN   4   1.693   7.400   9.886
   29    H    ASP   5           HN       ASP   5   3.080   7.334   6.202
   30    HA   ASP   5           HA       ASP   5   3.210   8.836   3.676
   31   1HB   ASP   5          2HB       ASP   5   5.443   9.097   4.779
   32   2HB   ASP   5          3HB       ASP   5   5.549   7.349   4.950
   33    H    TYR   6           HN       TYR   6   3.045   7.462   1.912
   34    HA   TYR   6           HA       TYR   6   1.591   5.038   2.318
   35   1HB   TYR   6          2HB       TYR   6   3.026   5.982  -0.183
   36   2HB   TYR   6          3HB       TYR   6   1.712   4.822  -0.125
   37    HD1  TYR   6           HD2      TYR   6  -0.526   5.768   1.153
   38    HD2  TYR   6           HD1      TYR   6   2.524   8.194  -0.671
   39    HE1  TYR   6           HE2      TYR   6  -2.042   7.725   1.213
   40    HE2  TYR   6           HE1      TYR   6   1.058  10.170  -0.503
   41    HH   TYR   6           HH       TYR   6  -0.806  10.973   0.575
   42    H    TYR   7           HN       TYR   7   5.011   5.642   1.412
   43    HA   TYR   7           HA       TYR   7   5.655   2.887   1.010
   44   1HB   TYR   7          2HB       TYR   7   7.445   5.213   1.783
   45   2HB   TYR   7          3HB       TYR   7   8.000   3.619   1.305
   46    HD1  TYR   7           HD1      TYR   7   7.837   2.822  -1.001
   47    HD2  TYR   7           HD2      TYR   7   6.536   6.783   0.083
   48    HE1  TYR   7           HE1      TYR   7   7.947   3.516  -3.388
   49    HE2  TYR   7           HE2      TYR   7   6.739   7.495  -2.278
   50    HH   TYR   7           HH       TYR   7   7.533   6.913  -4.370
   51    H    GLU   8           HN       GLU   8   5.583   4.935   4.016
   52    HA   GLU   8           HA       GLU   8   6.874   2.957   5.564
   53   1HB   GLU   8          2HB       GLU   8   6.482   5.542   5.929
   54   2HB   GLU   8          3HB       GLU   8   4.931   5.046   6.629
   55   1HG   GLU   8          2HG       GLU   8   6.805   3.252   7.694
   56   2HG   GLU   8          3HG       GLU   8   7.692   4.766   7.606
   57    H    ILE   9           HN       ILE   9   3.461   3.914   5.008
   58    HA   ILE   9           HA       ILE   9   2.164   2.132   6.689
   59    HB   ILE   9           HB       ILE   9   1.421   3.257   3.978
   60   1HG1  ILE   9          2HG1      ILE   9   0.195   3.769   6.719
   61   2HG1  ILE   9          3HG1      ILE   9   1.596   4.673   6.144
   62   1HG2  ILE   9          3HG2      ILE   9  -0.350   1.553   5.773
   63   2HG2  ILE   9          1HG2      ILE   9  -0.898   2.461   4.351
   64   3HG2  ILE   9          2HG2      ILE   9   0.221   1.125   4.144
   65   1HD1  ILE   9          2HD1      ILE   9   0.312   5.443   4.166
   66   2HD1  ILE   9          3HD1      ILE   9  -1.131   4.609   4.785
   67   3HD1  ILE   9          1HD1      ILE   9  -0.417   5.943   5.697
   68    H    LEU  10           HN       LEU  10   3.431   1.587   3.364
   69    HA   LEU  10           HA       LEU  10   2.718  -1.193   3.307
   70   1HB   LEU  10          2HB       LEU  10   4.390   0.682   1.646
   71   2HB   LEU  10          3HB       LEU  10   4.485  -1.060   1.359
   72    HG   LEU  10           HG       LEU  10   1.724   0.088   1.676
   73   1HD1  LEU  10          3HD1      LEU  10   2.761   1.743   0.202
   74   2HD1  LEU  10          1HD1      LEU  10   3.309   0.438  -0.862
   75   3HD1  LEU  10          2HD1      LEU  10   1.580   0.740  -0.648
   76   1HD2  LEU  10          3HD2      LEU  10   2.148  -2.365   1.304
   77   2HD2  LEU  10          1HD2      LEU  10   1.162  -1.617   0.034
   78   3HD2  LEU  10          2HD2      LEU  10   2.878  -1.968  -0.263
   79    H    GLY  11           HN       GLY  11   5.769   0.525   4.161
   80   1HA   GLY  11          1HA       GLY  11   7.135  -0.040   5.970
   81   2HA   GLY  11          2HA       GLY  11   6.304  -1.591   6.160
   82    H    VAL  12           HN       VAL  12   8.190   0.234   3.833
   83    HA   VAL  12           HA       VAL  12   9.883  -1.967   2.956
   84    HB   VAL  12           HB       VAL  12   7.630  -2.316   1.956
   85   1HG1  VAL  12          3HG1      VAL  12   6.948   0.089   1.788
   86   2HG1  VAL  12          1HG1      VAL  12   8.045   0.263   0.404
   87   3HG1  VAL  12          2HG1      VAL  12   6.669  -0.869   0.343
   88   1HG2  VAL  12          1HG2      VAL  12   9.489  -3.195   0.784
   89   2HG2  VAL  12          2HG2      VAL  12   8.244  -2.618  -0.348
   90   3HG2  VAL  12          3HG2      VAL  12   9.707  -1.672  -0.120
   91    H    SER  13           HN       SER  13  11.111  -0.942   0.956
   92    HA   SER  13           HA       SER  13  12.676   1.069   1.904
   93   1HB   SER  13          2HB       SER  13  12.302  -0.513  -0.528
   94   2HB   SER  13          3HB       SER  13  12.575   1.124  -0.981
   95    HG   SER  13           HG       SER  13  14.481  -0.136  -0.744
   96    H    LYS  14           HN       LYS  14  12.611   3.310   1.911
   97    HA   LYS  14           HA       LYS  14  10.398   4.845   1.666
   98   1HB   LYS  14          2HB       LYS  14  11.896   6.772   1.094
   99   2HB   LYS  14          3HB       LYS  14  12.274   5.882   2.572
  100   1HG   LYS  14          2HG       LYS  14  14.352   5.395   1.898
  101   2HG   LYS  14          3HG       LYS  14  13.826   4.752   0.366
  102   1HD   LYS  14          2HD       LYS  14  14.486   6.521  -0.783
  103   2HD   LYS  14          3HD       LYS  14  13.642   7.673   0.227
  104   1HE   LYS  14          2HE       LYS  14  16.372   6.460   0.871
  105   2HE   LYS  14          3HE       LYS  14  16.100   8.008   0.057
  106   1HZ   LYS  14          3HZ       LYS  14  14.929   8.782   1.994
  107   2HZ   LYS  14          1HZ       LYS  14  15.329   7.368   2.820
  108   3HZ   LYS  14          2HZ       LYS  14  16.487   8.406   2.307
  109    H    THR  15           HN       THR  15  12.466   3.915  -1.044
  110    HA   THR  15           HA       THR  15  10.605   5.249  -2.914
  111    HB   THR  15           HB       THR  15  12.746   5.450  -4.357
  112    HG1  THR  15          1HG       THR  15  14.195   4.183  -3.360
  113   1HG2  THR  15          1HG2      THR  15  12.445   6.946  -1.730
  114   2HG2  THR  15          2HG2      THR  15  13.522   7.443  -3.050
  115   3HG2  THR  15          3HG2      THR  15  11.767   7.375  -3.300
  116    H    ALA  16           HN       ALA  16  10.202   2.599  -1.906
  117    HA   ALA  16           HA       ALA  16  11.649   0.604  -3.204
  118   1HB   ALA  16          3HB       ALA  16  10.129   0.167  -1.314
  119   2HB   ALA  16          1HB       ALA  16   8.737   0.444  -2.369
  120   3HB   ALA  16          2HB       ALA  16   9.814  -0.930  -2.670
  121    H    GLU  17           HN       GLU  17  11.663  -0.341  -5.168
  122    HA   GLU  17           HA       GLU  17  10.406   0.703  -7.428
  123   1HB   GLU  17          2HB       GLU  17  12.401  -0.961  -7.097
  124   2HB   GLU  17          3HB       GLU  17  11.178  -2.230  -7.025
  125   1HG   GLU  17          2HG       GLU  17  11.147  -0.274  -9.323
  126   2HG   GLU  17          3HG       GLU  17  12.400  -1.505  -9.291
  127    H    GLU  18           HN       GLU  18   8.423   0.123  -8.484
  128    HA   GLU  18           HA       GLU  18   6.351  -0.299  -6.637
  129   1HB   GLU  18          2HB       GLU  18   6.160  -0.502  -9.648
  130   2HB   GLU  18          3HB       GLU  18   4.896  -0.080  -8.454
  131   1HG   GLU  18          2HG       GLU  18   6.721   1.771  -7.731
  132   2HG   GLU  18          3HG       GLU  18   7.251   1.565  -9.414
  133    H    ARG  19           HN       ARG  19   7.972  -2.561  -8.843
  134    HA   ARG  19           HA       ARG  19   6.042  -4.690  -8.496
  135   1HB   ARG  19          2HB       ARG  19   7.951  -4.456 -10.179
  136   2HB   ARG  19          3HB       ARG  19   9.013  -5.083  -8.899
  137   1HG   ARG  19          2HG       ARG  19   7.635  -7.111  -8.680
  138   2HG   ARG  19          3HG       ARG  19   6.469  -6.484  -9.861
  139   1HD   ARG  19          2HD       ARG  19   9.380  -7.079 -10.362
  140   2HD   ARG  19          3HD       ARG  19   8.024  -8.077 -10.868
  141    HE   ARG  19           HE       ARG  19   7.168  -6.066 -12.190
  142   1HH1  ARG  19          2HH2      ARG  19  10.627  -5.969 -11.383
  143   2HH1  ARG  19          1HH2      ARG  19  10.992  -4.809 -12.609
  144   1HH2  ARG  19          2HH1      ARG  19   7.691  -4.586 -13.863
  145   2HH2  ARG  19          1HH1      ARG  19   9.260  -3.832 -13.785
  146    H    GLU  20           HN       GLU  20   8.802  -3.423  -6.619
  147    HA   GLU  20           HA       GLU  20   8.845  -5.633  -4.847
  148   1HB   GLU  20          2HB       GLU  20  10.786  -4.182  -5.152
  149   2HB   GLU  20          3HB       GLU  20   9.956  -2.829  -4.369
  150   1HG   GLU  20          2HG       GLU  20   9.748  -4.053  -2.291
  151   2HG   GLU  20          3HG       GLU  20  10.552  -5.465  -3.014
  152    H    ILE  21           HN       ILE  21   7.248  -2.413  -4.957
  153    HA   ILE  21           HA       ILE  21   5.915  -2.432  -2.470
  154    HB   ILE  21           HB       ILE  21   4.978  -1.370  -5.155
  155   1HG1  ILE  21          2HG1      ILE  21   7.024  -0.301  -4.136
  156   2HG1  ILE  21          3HG1      ILE  21   5.664   0.768  -4.468
  157   1HG2  ILE  21          1HG2      ILE  21   3.640  -1.095  -2.482
  158   2HG2  ILE  21          2HG2      ILE  21   3.349   0.001  -3.858
  159   3HG2  ILE  21          3HG2      ILE  21   2.967  -1.716  -3.991
  160   1HD1  ILE  21          3HD1      ILE  21   5.013   0.727  -2.080
  161   2HD1  ILE  21          1HD1      ILE  21   6.367  -0.365  -1.734
  162   3HD1  ILE  21          2HD1      ILE  21   6.653   1.289  -2.296
  163    H    ARG  22           HN       ARG  22   4.971  -4.086  -5.525
  164    HA   ARG  22           HA       ARG  22   2.533  -5.153  -4.580
  165   1HB   ARG  22          2HB       ARG  22   4.187  -5.568  -6.871
  166   2HB   ARG  22          3HB       ARG  22   3.972  -7.149  -6.146
  167   1HG   ARG  22          2HG       ARG  22   2.198  -6.905  -7.665
  168   2HG   ARG  22          3HG       ARG  22   1.453  -6.680  -6.079
  169   1HD   ARG  22          2HD       ARG  22   1.472  -4.217  -6.415
  170   2HD   ARG  22          3HD       ARG  22   2.449  -4.437  -7.859
  171    HE   ARG  22           HE       ARG  22  -0.349  -5.533  -7.693
  172   1HH1  ARG  22          2HH2      ARG  22   1.930  -3.307  -9.419
  173   2HH1  ARG  22          1HH2      ARG  22   0.861  -3.300 -10.810
  174   1HH2  ARG  22          2HH1      ARG  22  -1.616  -5.332  -9.497
  175   2HH2  ARG  22          1HH1      ARG  22  -1.038  -4.416 -10.904
  176    H    LYS  23           HN       LYS  23   5.902  -6.370  -4.139
  177    HA   LYS  23           HA       LYS  23   5.344  -8.717  -2.761
  178   1HB   LYS  23          2HB       LYS  23   7.665  -6.928  -1.991
  179   2HB   LYS  23          3HB       LYS  23   7.542  -8.647  -1.806
  180   1HG   LYS  23          2HG       LYS  23   7.585  -7.403  -4.583
  181   2HG   LYS  23          3HG       LYS  23   9.050  -7.604  -3.605
  182   1HD   LYS  23          2HD       LYS  23   8.414 -10.091  -3.412
  183   2HD   LYS  23          3HD       LYS  23   7.195  -9.758  -4.651
  184   1HE   LYS  23          2HE       LYS  23   9.167 -10.623  -5.741
  185   2HE   LYS  23          3HE       LYS  23   9.053  -8.917  -6.184
  186   1HZ   LYS  23          2HZ       LYS  23  10.763  -9.795  -3.931
  187   2HZ   LYS  23          3HZ       LYS  23  11.259  -9.912  -5.502
  188   3HZ   LYS  23          1HZ       LYS  23  10.967  -8.464  -4.867
  189    H    ALA  24           HN       ALA  24   5.934  -5.411  -1.494
  190    HA   ALA  24           HA       ALA  24   5.612  -5.992   1.256
  191   1HB   ALA  24          3HB       ALA  24   6.634  -3.945   0.460
  192   2HB   ALA  24          1HB       ALA  24   5.081  -3.368  -0.192
  193   3HB   ALA  24          2HB       ALA  24   5.290  -3.578   1.559
  194    H    TYR  25           HN       TYR  25   3.214  -4.742  -1.074
  195    HA   TYR  25           HA       TYR  25   0.967  -4.626   0.630
  196   1HB   TYR  25          2HB       TYR  25   0.685  -3.658  -1.463
  197   2HB   TYR  25          3HB       TYR  25   1.475  -4.972  -2.313
  198    HD1  TYR  25           HD2      TYR  25  -1.735  -4.102  -0.569
  199    HD2  TYR  25           HD1      TYR  25   0.288  -6.633  -3.415
  200    HE1  TYR  25           HE2      TYR  25  -3.914  -5.017  -1.311
  201    HE2  TYR  25           HE1      TYR  25  -1.893  -7.559  -4.141
  202    HH   TYR  25           HH       TYR  25  -4.993  -6.290  -3.058
  203    H    LYS  26           HN       LYS  26   2.135  -7.437  -1.348
  204    HA   LYS  26           HA       LYS  26   0.231  -9.201  -0.339
  205   1HB   LYS  26          2HB       LYS  26   2.959  -9.616  -1.556
  206   2HB   LYS  26          3HB       LYS  26   1.995 -10.985  -1.021
  207   1HG   LYS  26          2HG       LYS  26   0.532  -9.013  -2.748
  208   2HG   LYS  26          3HG       LYS  26   1.880  -9.843  -3.506
  209   1HD   LYS  26          2HD       LYS  26  -0.154 -11.138  -3.903
  210   2HD   LYS  26          3HD       LYS  26   1.008 -12.034  -2.934
  211   1HE   LYS  26          2HE       LYS  26  -1.150 -12.472  -2.018
  212   2HE   LYS  26          3HE       LYS  26  -0.328 -11.451  -0.846
  213   1HZ   LYS  26          1HZ       LYS  26  -2.369 -10.628  -2.819
  214   2HZ   LYS  26          2HZ       LYS  26  -2.589 -10.810  -1.216
  215   3HZ   LYS  26          3HZ       LYS  26  -1.646  -9.580  -1.755
  216    H    ARG  27           HN       ARG  27   3.463  -8.363   0.962
  217    HA   ARG  27           HA       ARG  27   3.684 -10.361   2.986
  218   1HB   ARG  27          2HB       ARG  27   4.636  -7.455   2.960
  219   2HB   ARG  27          3HB       ARG  27   5.036  -8.605   4.203
  220   1HG   ARG  27          2HG       ARG  27   5.656  -9.416   1.381
  221   2HG   ARG  27          3HG       ARG  27   6.633  -8.128   2.082
  222   1HD   ARG  27          2HD       ARG  27   6.131 -10.764   3.502
  223   2HD   ARG  27          3HD       ARG  27   7.492 -10.497   2.390
  224    HE   ARG  27           HE       ARG  27   7.552  -8.384   4.290
  225   1HH1  ARG  27          2HH2      ARG  27   7.795 -11.940   4.311
  226   2HH1  ARG  27          1HH2      ARG  27   9.398 -11.916   5.004
  227   1HH2  ARG  27          2HH1      ARG  27   9.488  -8.462   5.719
  228   2HH2  ARG  27          1HH1      ARG  27  10.062 -10.057   6.180
  229    H    LEU  28           HN       LEU  28   2.397  -7.027   3.135
  230    HA   LEU  28           HA       LEU  28   1.540  -7.195   5.813
  231   1HB   LEU  28          2HB       LEU  28   0.808  -5.505   3.402
  232   2HB   LEU  28          3HB       LEU  28  -0.101  -5.369   4.913
  233    HG   LEU  28           HG       LEU  28   2.930  -5.219   4.989
  234   1HD1  LEU  28          3HD1      LEU  28   0.909  -3.036   4.364
  235   2HD1  LEU  28          1HD1      LEU  28   2.509  -2.714   4.969
  236   3HD1  LEU  28          2HD1      LEU  28   2.318  -3.519   3.384
  237   1HD2  LEU  28          1HD2      LEU  28   1.384  -5.436   7.088
  238   2HD2  LEU  28          2HD2      LEU  28   2.471  -4.044   7.059
  239   3HD2  LEU  28          3HD2      LEU  28   0.774  -3.840   6.602
  240    H    ALA  29           HN       ALA  29  -0.248  -7.808   2.775
  241    HA   ALA  29           HA       ALA  29  -2.772  -8.075   3.869
  242   1HB   ALA  29          3HB       ALA  29  -2.295  -8.045   1.446
  243   2HB   ALA  29          1HB       ALA  29  -1.595  -9.682   1.557
  244   3HB   ALA  29          2HB       ALA  29  -3.320  -9.423   1.894
  245    H    MET  30           HN       MET  30  -0.219 -10.600   3.683
  246    HA   MET  30           HA       MET  30  -1.896 -12.525   5.024
  247   1HB   MET  30          2HB       MET  30  -0.023 -14.038   4.947
  248   2HB   MET  30          3HB       MET  30  -0.420 -13.350   3.368
  249   1HG   MET  30          2HG       MET  30   1.467 -11.731   3.683
  250   2HG   MET  30          3HG       MET  30   1.965 -12.630   5.119
  251   1HE   MET  30          3HE       MET  30   2.910 -15.158   4.918
  252   2HE   MET  30          1HE       MET  30   1.451 -15.670   4.030
  253   3HE   MET  30          2HE       MET  30   3.062 -16.011   3.365
  254    H    LYS  31           HN       LYS  31   0.561 -10.154   5.980
  255    HA   LYS  31           HA       LYS  31   1.185 -11.235   8.519
  256   1HB   LYS  31          2HB       LYS  31   2.354  -9.394   7.164
  257   2HB   LYS  31          3HB       LYS  31   1.237  -8.269   7.927
  258   1HG   LYS  31          2HG       LYS  31   3.164 -10.213   9.290
  259   2HG   LYS  31          3HG       LYS  31   3.509  -8.522   9.004
  260   1HD   LYS  31          2HD       LYS  31   1.256  -9.547  10.806
  261   2HD   LYS  31          3HD       LYS  31   2.827  -9.097  11.364
  262   1HE   LYS  31          2HE       LYS  31   1.041  -7.125   9.867
  263   2HE   LYS  31          3HE       LYS  31   1.025  -7.329  11.613
  264   1HZ   LYS  31          1HZ       LYS  31   3.403  -6.751  11.634
  265   2HZ   LYS  31          2HZ       LYS  31   3.351  -6.445  10.021
  266   3HZ   LYS  31          3HZ       LYS  31   2.489  -5.532  11.030
  267    H    TYR  32           HN       TYR  32  -1.123  -8.670   7.605
  268    HA   TYR  32           HA       TYR  32  -2.012  -8.403  10.409
  269   1HB   TYR  32          2HB       TYR  32  -2.491  -6.923   7.793
  270   2HB   TYR  32          3HB       TYR  32  -3.474  -6.561   9.188
  271    HD1  TYR  32           HD2      TYR  32  -1.728  -6.452  11.512
  272    HD2  TYR  32           HD1      TYR  32  -1.247  -4.980   7.490
  273    HE1  TYR  32           HE2      TYR  32  -0.481  -4.501  12.365
  274    HE2  TYR  32           HE1      TYR  32  -0.138  -2.948   8.397
  275    HH   TYR  32           HH       TYR  32   0.649  -1.886  10.224
  276    H    HIS  33           HN       HIS  33  -2.744 -10.745   8.483
  277    HA   HIS  33           HA       HIS  33  -5.100 -10.453   7.313
  278   1HB   HIS  33          2HB       HIS  33  -3.571 -12.409   7.145
  279   2HB   HIS  33          3HB       HIS  33  -4.254 -13.052   8.646
  280    HD1  HIS  33           HD1      HIS  33  -6.719 -14.180   8.394
  281    HD2  HIS  33           HD2      HIS  33  -5.212 -12.197   5.010
  282    HE1  HIS  33           HE1      HIS  33  -8.395 -14.578   6.513
  283    HA   PRO  34           HA       PRO  34  -8.302 -10.603  10.609
  284   1HB   PRO  34          2HB       PRO  34 -10.535 -10.439   9.051
  285   2HB   PRO  34          3HB       PRO  34  -9.467  -9.055   9.300
  286   1HG   PRO  34          2HG       PRO  34  -9.469 -10.959   6.954
  287   2HG   PRO  34          3HG       PRO  34  -9.466  -9.173   6.911
  288   1HD   PRO  34          2HD       PRO  34  -7.196 -10.661   6.659
  289   2HD   PRO  34          3HD       PRO  34  -7.172  -9.087   7.517
  290    H    ASP  35           HN       ASP  35  -7.239 -12.885  10.713
  291    HA   ASP  35           HA       ASP  35  -8.770 -15.097   9.496
  292   1HB   ASP  35          2HB       ASP  35  -6.776 -15.985  10.039
  293   2HB   ASP  35          3HB       ASP  35  -6.447 -14.812  11.316
  294    H    ARG  36           HN       ARG  36 -10.843 -14.732   9.878
  295    HA   ARG  36           HA       ARG  36 -12.679 -13.880  11.032
  296   1HB   ARG  36          2HB       ARG  36 -13.848 -15.923  11.930
  297   2HB   ARG  36          3HB       ARG  36 -13.311 -15.871  10.267
  298   1HG   ARG  36          2HG       ARG  36 -12.958 -18.038  11.006
  299   2HG   ARG  36          3HG       ARG  36 -11.356 -17.337  10.818
  300   1HD   ARG  36          2HD       ARG  36 -12.782 -17.343  13.500
  301   2HD   ARG  36          3HD       ARG  36 -11.972 -18.809  12.923
  302    HE   ARG  36           HE       ARG  36  -9.944 -17.152  12.594
  303   1HH1  ARG  36          2HH2      ARG  36 -11.961 -17.892  15.380
  304   2HH1  ARG  36          1HH2      ARG  36 -10.865 -17.184  16.544
  305   1HH2  ARG  36          2HH1      ARG  36  -8.428 -16.415  14.093
  306   2HH2  ARG  36          1HH1      ARG  36  -8.804 -16.343  15.807
  307    H    ASN  37           HN       ASN  37 -11.324 -12.475  12.288
  308    HA   ASN  37           HA       ASN  37 -10.569 -13.114  14.937
  309   1HB   ASN  37          2HB       ASN  37  -9.083 -11.745  13.946
  310   2HB   ASN  37          3HB       ASN  37 -10.274 -10.900  12.993
  311   1HD2  ASN  37          2HD2      ASN  37  -8.945  -9.178  16.387
  312   2HD2  ASN  37          1HD2      ASN  37  -8.312 -10.738  15.858
  313    H    GLN  38           HN       GLN  38 -13.527 -13.184  14.509
  314    HA   GLN  38           HA       GLN  38 -15.474 -12.616  15.431
  315   1HB   GLN  38          2HB       GLN  38 -14.375 -13.267  17.555
  316   2HB   GLN  38          3HB       GLN  38 -13.820 -11.603  17.784
  317   1HG   GLN  38          2HG       GLN  38 -16.210 -10.842  17.844
  318   2HG   GLN  38          3HG       GLN  38 -16.717 -12.528  17.656
  319   1HE2  GLN  38          2HE2      GLN  38 -14.778 -11.444  21.190
  320   2HE2  GLN  38          1HE2      GLN  38 -14.216 -10.803  19.674
  321    H    GLY  39           HN       GLY  39 -15.816 -11.193  13.752
  322   1HA   GLY  39          1HA       GLY  39 -16.682  -9.225  12.938
  323   2HA   GLY  39          2HA       GLY  39 -16.805  -8.689  14.626
  324    H    ASP  40           HN       ASP  40 -13.972  -9.513  12.592
  325    HA   ASP  40           HA       ASP  40 -12.436  -7.389  13.507
  326   1HB   ASP  40          2HB       ASP  40 -11.734  -9.505  12.146
  327   2HB   ASP  40          3HB       ASP  40 -12.005  -8.502  10.718
  328    H    LYS  41           HN       LYS  41 -11.714  -5.529  12.303
  329    HA   LYS  41           HA       LYS  41 -13.309  -4.361  10.186
  330   1HB   LYS  41          2HB       LYS  41 -13.324  -2.931  12.889
  331   2HB   LYS  41          3HB       LYS  41 -13.993  -2.336  11.358
  332   1HG   LYS  41          2HG       LYS  41 -15.523  -4.357  11.330
  333   2HG   LYS  41          3HG       LYS  41 -14.930  -4.752  12.958
  334   1HD   LYS  41          2HD       LYS  41 -15.788  -2.527  13.757
  335   2HD   LYS  41          3HD       LYS  41 -16.499  -2.291  12.139
  336   1HE   LYS  41          2HE       LYS  41 -17.660  -4.545  12.414
  337   2HE   LYS  41          3HE       LYS  41 -17.099  -4.585  14.094
  338   1HZ   LYS  41          1HZ       LYS  41 -18.827  -2.497  12.925
  339   2HZ   LYS  41          2HZ       LYS  41 -19.358  -3.796  13.759
  340   3HZ   LYS  41          3HZ       LYS  41 -18.459  -2.663  14.535
  341    H    GLU  42           HN       GLU  42 -11.035  -3.754  12.848
  342    HA   GLU  42           HA       GLU  42  -9.501  -1.786  11.650
  343   1HB   GLU  42          2HB       GLU  42  -8.441  -3.957  13.544
  344   2HB   GLU  42          3HB       GLU  42  -7.841  -2.308  13.337
  345   1HG   GLU  42          2HG       GLU  42 -10.479  -3.176  14.616
  346   2HG   GLU  42          3HG       GLU  42  -9.119  -2.362  15.364
  347    H    ALA  43           HN       ALA  43  -8.772  -5.363  11.590
  348    HA   ALA  43           HA       ALA  43  -6.495  -5.112  10.170
  349   1HB   ALA  43          3HB       ALA  43  -8.571  -7.287  10.049
  350   2HB   ALA  43          1HB       ALA  43  -6.928  -7.477   9.430
  351   3HB   ALA  43          2HB       ALA  43  -7.194  -7.227  11.171
  352    H    GLU  44           HN       GLU  44  -9.855  -5.246   9.068
  353    HA   GLU  44           HA       GLU  44  -9.272  -5.455   6.270
  354   1HB   GLU  44          2HB       GLU  44 -11.447  -6.091   7.367
  355   2HB   GLU  44          3HB       GLU  44 -11.836  -4.366   7.513
  356   1HG   GLU  44          2HG       GLU  44 -11.710  -4.110   5.074
  357   2HG   GLU  44          3HG       GLU  44 -11.122  -5.783   4.915
  358    H    ALA  45           HN       ALA  45 -10.022  -2.615   8.428
  359    HA   ALA  45           HA       ALA  45  -9.895  -0.750   6.364
  360   1HB   ALA  45          3HB       ALA  45 -10.835  -0.277   8.653
  361   2HB   ALA  45          1HB       ALA  45  -9.201  -0.380   9.331
  362   3HB   ALA  45          2HB       ALA  45  -9.617   0.919   8.198
  363    H    LYS  46           HN       LYS  46  -7.415  -2.139   8.464
  364    HA   LYS  46           HA       LYS  46  -5.244  -0.514   7.653
  365   1HB   LYS  46          2HB       LYS  46  -5.454  -2.350   9.576
  366   2HB   LYS  46          3HB       LYS  46  -5.037  -3.493   8.324
  367   1HG   LYS  46          2HG       LYS  46  -3.025  -3.019   9.385
  368   2HG   LYS  46          3HG       LYS  46  -2.955  -2.081   7.889
  369   1HD   LYS  46          2HD       LYS  46  -2.051  -0.800   9.704
  370   2HD   LYS  46          3HD       LYS  46  -3.509  -0.008   9.146
  371   1HE   LYS  46          2HE       LYS  46  -3.676  -1.985  11.471
  372   2HE   LYS  46          3HE       LYS  46  -2.976  -0.389  11.747
  373   1HZ   LYS  46          3HZ       LYS  46  -5.704  -0.747  10.682
  374   2HZ   LYS  46          1HZ       LYS  46  -5.330  -0.465  12.231
  375   3HZ   LYS  46          2HZ       LYS  46  -4.961   0.656  11.085
  376    H    PHE  47           HN       PHE  47  -6.509  -3.665   6.387
  377    HA   PHE  47           HA       PHE  47  -4.777  -3.843   4.147
  378   1HB   PHE  47          2HB       PHE  47  -6.304  -5.648   4.855
  379   2HB   PHE  47          3HB       PHE  47  -7.684  -4.727   4.276
  380    HD1  PHE  47          2HD       PHE  47  -7.815  -4.079   1.788
  381    HD2  PHE  47          1HD       PHE  47  -5.135  -7.097   3.323
  382    HE1  PHE  47          2HE       PHE  47  -7.493  -4.943  -0.491
  383    HE2  PHE  47          1HE       PHE  47  -4.887  -8.012   1.021
  384    HZ   PHE  47           HZ       PHE  47  -5.960  -6.874  -0.895
  385    H    LYS  48           HN       LYS  48  -7.747  -1.854   4.626
  386    HA   LYS  48           HA       LYS  48  -7.919  -1.105   1.894
  387   1HB   LYS  48          2HB       LYS  48  -8.877   0.452   4.321
  388   2HB   LYS  48          3HB       LYS  48  -9.134   0.909   2.649
  389   1HG   LYS  48          2HG       LYS  48 -10.392  -1.144   2.208
  390   2HG   LYS  48          3HG       LYS  48  -9.881  -1.776   3.756
  391   1HD   LYS  48          2HD       LYS  48 -12.090  -1.111   4.198
  392   2HD   LYS  48          3HD       LYS  48 -11.189   0.287   4.775
  393   1HE   LYS  48          2HE       LYS  48 -12.660  -0.025   2.111
  394   2HE   LYS  48          3HE       LYS  48 -13.122   0.997   3.467
  395   1HZ   LYS  48          1HZ       LYS  48 -10.972   2.226   3.039
  396   2HZ   LYS  48          2HZ       LYS  48 -10.907   1.443   1.579
  397   3HZ   LYS  48          3HZ       LYS  48 -12.182   2.393   1.945
  398    H    GLU  49           HN       GLU  49  -6.258   0.477   4.730
  399    HA   GLU  49           HA       GLU  49  -5.534   2.723   3.148
  400   1HB   GLU  49          2HB       GLU  49  -4.378   3.497   5.042
  401   2HB   GLU  49          3HB       GLU  49  -5.797   2.645   5.650
  402   1HG   GLU  49          2HG       GLU  49  -4.397   0.759   6.248
  403   2HG   GLU  49          3HG       GLU  49  -2.967   1.555   5.619
  404    H    ILE  50           HN       ILE  50  -3.886  -0.300   3.997
  405    HA   ILE  50           HA       ILE  50  -1.395   0.237   2.707
  406    HB   ILE  50           HB       ILE  50  -2.899  -2.362   3.192
  407   1HG1  ILE  50          2HG1      ILE  50  -0.529  -1.292   4.771
  408   2HG1  ILE  50          3HG1      ILE  50  -2.156  -0.819   5.211
  409   1HG2  ILE  50          2HG2      ILE  50  -1.131  -2.659   1.439
  410   2HG2  ILE  50          3HG2      ILE  50   0.055  -1.946   2.545
  411   3HG2  ILE  50          1HG2      ILE  50  -0.718  -3.504   2.908
  412   1HD1  ILE  50          3HD1      ILE  50  -1.304  -3.714   4.978
  413   2HD1  ILE  50          1HD1      ILE  50  -1.363  -2.787   6.478
  414   3HD1  ILE  50          2HD1      ILE  50  -2.842  -3.144   5.567
  415    H    LYS  51           HN       LYS  51  -4.466  -1.258   1.492
  416    HA   LYS  51           HA       LYS  51  -3.247  -1.957  -1.003
  417   1HB   LYS  51          2HB       LYS  51  -5.056  -3.214  -0.034
  418   2HB   LYS  51          3HB       LYS  51  -6.168  -1.844  -0.128
  419   1HG   LYS  51          2HG       LYS  51  -4.792  -2.714  -2.672
  420   2HG   LYS  51          3HG       LYS  51  -6.006  -3.791  -1.997
  421   1HD   LYS  51          2HD       LYS  51  -7.750  -2.438  -2.348
  422   2HD   LYS  51          3HD       LYS  51  -6.884  -0.921  -2.122
  423   1HE   LYS  51          2HE       LYS  51  -6.450  -2.710  -4.554
  424   2HE   LYS  51          3HE       LYS  51  -7.688  -1.451  -4.506
  425   1HZ   LYS  51          3HZ       LYS  51  -4.928  -0.678  -3.895
  426   2HZ   LYS  51          1HZ       LYS  51  -5.441  -0.886  -5.453
  427   3HZ   LYS  51          2HZ       LYS  51  -6.176   0.193  -4.525
  428    H    GLU  52           HN       GLU  52  -5.147   0.804   0.171
  429    HA   GLU  52           HA       GLU  52  -5.362   2.099  -2.405
  430   1HB   GLU  52          2HB       GLU  52  -6.912   2.656  -0.660
  431   2HB   GLU  52          3HB       GLU  52  -5.626   3.121   0.457
  432   1HG   GLU  52          2HG       GLU  52  -5.101   5.091  -0.835
  433   2HG   GLU  52          3HG       GLU  52  -5.957   4.461  -2.245
  434    H    ALA  53           HN       ALA  53  -3.050   2.333   0.383
  435    HA   ALA  53           HA       ALA  53  -1.372   4.311  -0.626
  436   1HB   ALA  53          3HB       ALA  53  -0.603   1.822   0.963
  437   2HB   ALA  53          1HB       ALA  53   0.427   3.223   0.718
  438   3HB   ALA  53          2HB       ALA  53  -1.087   3.398   1.620
  439    H    TYR  54           HN       TYR  54  -1.150   0.782  -1.185
  440    HA   TYR  54           HA       TYR  54   1.005   0.832  -3.006
  441   1HB   TYR  54          2HB       TYR  54   0.644  -1.317  -2.548
  442   2HB   TYR  54          3HB       TYR  54  -1.035  -1.059  -2.126
  443    HD1  TYR  54           HD2      TYR  54   1.053  -1.130  -5.278
  444    HD2  TYR  54           HD1      TYR  54  -2.585  -2.304  -3.288
  445    HE1  TYR  54           HE2      TYR  54   0.233  -2.161  -7.367
  446    HE2  TYR  54           HE1      TYR  54  -3.422  -3.299  -5.397
  447    HH   TYR  54           HH       TYR  54  -3.099  -3.368  -7.707
  448    H    GLU  55           HN       GLU  55  -2.482   1.434  -3.628
  449    HA   GLU  55           HA       GLU  55  -2.203   1.570  -6.484
  450   1HB   GLU  55          2HB       GLU  55  -4.227   0.826  -5.885
  451   2HB   GLU  55          3HB       GLU  55  -4.281   1.722  -4.363
  452   1HG   GLU  55          2HG       GLU  55  -4.790   3.729  -5.388
  453   2HG   GLU  55          3HG       GLU  55  -4.563   2.990  -7.016
  454    H    VAL  56           HN       VAL  56  -1.979   3.846  -3.788
  455    HA   VAL  56           HA       VAL  56  -2.326   6.291  -5.255
  456    HB   VAL  56           HB       VAL  56  -1.137   5.482  -2.597
  457   1HG1  VAL  56          1HG1      VAL  56  -0.612   8.169  -3.879
  458   2HG1  VAL  56          2HG1      VAL  56  -0.659   7.907  -2.139
  459   3HG1  VAL  56          3HG1      VAL  56   0.527   7.049  -3.125
  460   1HG2  VAL  56          3HG2      VAL  56  -3.593   5.871  -2.919
  461   2HG2  VAL  56          1HG2      VAL  56  -2.831   6.883  -1.678
  462   3HG2  VAL  56          2HG2      VAL  56  -3.210   7.567  -3.265
  463    H    LEU  57           HN       LEU  57   0.381   4.185  -4.421
  464    HA   LEU  57           HA       LEU  57   2.371   5.563  -6.017
  465   1HB   LEU  57          2HB       LEU  57   2.344   2.714  -5.020
  466   2HB   LEU  57          3HB       LEU  57   3.739   3.617  -5.599
  467    HG   LEU  57           HG       LEU  57   2.114   4.286  -3.090
  468   1HD1  LEU  57          3HD1      LEU  57   4.772   2.896  -3.492
  469   2HD1  LEU  57          1HD1      LEU  57   4.075   3.369  -1.920
  470   3HD1  LEU  57          2HD1      LEU  57   3.247   2.169  -2.927
  471   1HD2  LEU  57          2HD2      LEU  57   4.649   5.523  -4.182
  472   2HD2  LEU  57          3HD2      LEU  57   3.088   6.323  -3.867
  473   3HD2  LEU  57          1HD2      LEU  57   4.050   5.768  -2.532
  474    H    THR  58           HN       THR  58   2.548   2.427  -7.068
  475    HA   THR  58           HA       THR  58   2.558   1.697  -9.194
  476    HB   THR  58           HB       THR  58   0.354   1.458 -10.249
  477    HG1  THR  58          1HG       THR  58  -0.393   3.293  -8.375
  478   1HG2  THR  58          3HG2      THR  58   0.799   0.638  -7.355
  479   2HG2  THR  58          1HG2      THR  58  -0.459  -0.049  -8.394
  480   3HG2  THR  58          2HG2      THR  58   1.264  -0.247  -8.803
  481    H    ASP  59           HN       ASP  59   3.613   4.070  -8.997
  482    HA   ASP  59           HA       ASP  59   3.761   6.314  -9.609
  483   1HB   ASP  59          2HB       ASP  59   5.517   4.688 -10.491
  484   2HB   ASP  59          3HB       ASP  59   4.634   4.710 -12.028
  485    H    SER  60           HN       SER  60   1.125   6.205  -9.868
  486    HA   SER  60           HA       SER  60   0.643   7.568 -12.457
  487   1HB   SER  60          2HB       SER  60   0.533   5.109 -12.854
  488   2HB   SER  60          3HB       SER  60  -0.835   5.013 -11.726
  489    HG   SER  60           HG       SER  60  -1.957   6.374 -13.144
  490    H    GLN  61           HN       GLN  61  -1.004   6.495  -9.311
  491    HA   GLN  61           HA       GLN  61  -3.224   8.134 -10.158
  492   1HB   GLN  61          2HB       GLN  61  -3.665   6.110  -9.027
  493   2HB   GLN  61          3HB       GLN  61  -2.622   6.521  -7.653
  494   1HG   GLN  61          2HG       GLN  61  -4.050   8.115  -6.816
  495   2HG   GLN  61          3HG       GLN  61  -4.852   8.407  -8.374
  496   1HE2  GLN  61          2HE2      GLN  61  -6.150   4.829  -6.859
  497   2HE2  GLN  61          1HE2      GLN  61  -4.456   5.096  -7.236
  498    H    LYS  62           HN       LYS  62  -1.149   8.225  -7.276
  499    HA   LYS  62           HA       LYS  62  -1.683  11.196  -7.023
  500   1HB   LYS  62          2HB       LYS  62  -2.191   8.939  -5.121
  501   2HB   LYS  62          3HB       LYS  62  -1.703  10.512  -4.459
  502   1HG   LYS  62          2HG       LYS  62  -3.626  11.601  -5.259
  503   2HG   LYS  62          3HG       LYS  62  -3.957  10.376  -6.480
  504   1HD   LYS  62          2HD       LYS  62  -4.496   8.724  -4.663
  505   2HD   LYS  62          3HD       LYS  62  -4.228   9.994  -3.454
  506   1HE   LYS  62          2HE       LYS  62  -6.113  11.289  -4.388
  507   2HE   LYS  62          3HE       LYS  62  -6.276  10.137  -5.723
  508   1HZ   LYS  62          2HZ       LYS  62  -6.805   8.422  -3.973
  509   2HZ   LYS  62          3HZ       LYS  62  -6.922   9.649  -2.886
  510   3HZ   LYS  62          1HZ       LYS  62  -7.902   9.624  -4.182
  511    H    ARG  63           HN       ARG  63   0.475   8.452  -6.215
  512    HA   ARG  63           HA       ARG  63   2.719   9.903  -5.363
  513   1HB   ARG  63          2HB       ARG  63   2.488   7.594  -5.360
  514   2HB   ARG  63          3HB       ARG  63   2.766   7.495  -7.116
  515   1HG   ARG  63          2HG       ARG  63   4.695   8.945  -5.215
  516   2HG   ARG  63          3HG       ARG  63   4.847   7.246  -5.386
  517   1HD   ARG  63          2HD       ARG  63   4.728   8.418  -8.075
  518   2HD   ARG  63          3HD       ARG  63   5.868   9.291  -7.043
  519    HE   ARG  63           HE       ARG  63   7.308   7.657  -7.613
  520   1HH1  ARG  63          2HH2      ARG  63   4.225   6.150  -6.906
  521   2HH1  ARG  63          1HH2      ARG  63   4.718   4.556  -7.480
  522   1HH2  ARG  63          2HH1      ARG  63   7.805   5.529  -8.683
  523   2HH2  ARG  63          1HH1      ARG  63   6.689   4.216  -8.355
  524    H    ALA  64           HN       ALA  64   1.155   9.573  -8.591
  525    HA   ALA  64           HA       ALA  64   3.312  10.277 -10.242
  526   1HB   ALA  64          1HB       ALA  64   0.333  10.872 -10.565
  527   2HB   ALA  64          2HB       ALA  64   1.553  11.037 -11.848
  528   3HB   ALA  64          3HB       ALA  64   1.240   9.449 -11.149
  529    H    ALA  65           HN       ALA  65   1.079  12.429  -8.413
  530    HA   ALA  65           HA       ALA  65   2.132  14.827  -9.368
  531   1HB   ALA  65          2HB       ALA  65   0.924  14.156  -6.668
  532   2HB   ALA  65          3HB       ALA  65   1.248  15.799  -7.233
  533   3HB   ALA  65          1HB       ALA  65   0.077  14.783  -8.097
  534    H    TYR  66           HN       TYR  66   2.950  12.753  -6.633
  535    HA   TYR  66           HA       TYR  66   5.115  14.185  -5.520
  536   1HB   TYR  66          2HB       TYR  66   3.600  12.153  -4.691
  537   2HB   TYR  66          3HB       TYR  66   4.947  11.215  -5.331
  538    HD1  TYR  66           HD2      TYR  66   4.545  14.385  -3.314
  539    HD2  TYR  66           HD1      TYR  66   6.195  10.416  -3.523
  540    HE1  TYR  66           HE2      TYR  66   5.430  14.644  -1.044
  541    HE2  TYR  66           HE1      TYR  66   7.166  10.700  -1.298
  542    HH   TYR  66           HH       TYR  66   7.275  12.071   0.594
  543    H    ASP  67           HN       ASP  67   5.015  12.054  -8.267
  544    HA   ASP  67           HA       ASP  67   7.921  11.701  -8.371
  545   1HB   ASP  67          2HB       ASP  67   6.298   9.893  -9.088
  546   2HB   ASP  67          3HB       ASP  67   5.787  10.935 -10.415
  547    H    GLN  68           HN       GLN  68   5.358  13.464 -10.126
  548    HA   GLN  68           HA       GLN  68   7.066  14.588 -12.124
  549   1HB   GLN  68          2HB       GLN  68   4.714  14.350 -12.410
  550   2HB   GLN  68          3HB       GLN  68   4.333  15.361 -10.994
  551   1HG   GLN  68          2HG       GLN  68   5.080  17.335 -12.091
  552   2HG   GLN  68          3HG       GLN  68   5.944  16.394 -13.316
  553   1HE2  GLN  68          2HE2      GLN  68   3.158  16.440 -15.519
  554   2HE2  GLN  68          1HE2      GLN  68   4.906  16.269 -15.275
  555    H    TYR  69           HN       TYR  69   5.644  15.979  -9.112
  556    HA   TYR  69           HA       TYR  69   7.915  17.151  -8.156
  557   1HB   TYR  69          2HB       TYR  69   6.994  18.708 -10.357
  558   2HB   TYR  69          3HB       TYR  69   6.382  19.530  -8.945
  559    HD1  TYR  69           HD1      TYR  69   9.684  17.717  -9.341
  560    HD2  TYR  69           HD2      TYR  69   7.638  21.500  -8.948
  561    HE1  TYR  69           HE1      TYR  69  11.839  18.853  -9.087
  562    HE2  TYR  69           HE2      TYR  69   9.839  22.647  -8.977
  563    HH   TYR  69           HH       TYR  69  12.908  20.870  -8.765
  564    H    GLY  70           HN       GLY  70   7.132  16.313  -6.328
  565   1HA   GLY  70          1HA       GLY  70   4.437  16.180  -5.535
  566   2HA   GLY  70          2HA       GLY  70   5.830  16.087  -4.411
  567    H    HIS  71           HN       HIS  71   3.081  17.361  -4.263
  568    HA   HIS  71           HA       HIS  71   2.139  19.193  -3.345
  569   1HB   HIS  71          2HB       HIS  71   4.275  18.998  -1.930
  570   2HB   HIS  71          3HB       HIS  71   4.892  20.372  -2.850
  571    HD1  HIS  71           HD1      HIS  71   2.472  22.365  -2.756
  572    HD2  HIS  71           HD2      HIS  71   4.185  20.108   0.353
  573    HE1  HIS  71           HE1      HIS  71   2.266  23.762  -0.633
  574    H    ALA  72           HN       ALA  72   4.006  19.398  -6.224
  575    HA   ALA  72           HA       ALA  72   2.922  22.066  -6.931
  576   1HB   ALA  72          2HB       ALA  72   5.166  22.400  -5.915
  577   2HB   ALA  72          3HB       ALA  72   5.853  21.201  -7.028
  578   3HB   ALA  72          1HB       ALA  72   5.195  22.725  -7.661
  579    H    ALA  73           HN       ALA  73   1.663  20.033  -7.898
  580    HA   ALA  73           HA       ALA  73   2.531  19.615 -10.611
  581   1HB   ALA  73          2HB       ALA  73   2.287  17.268  -8.687
  582   2HB   ALA  73          3HB       ALA  73   2.230  17.119 -10.461
  583   3HB   ALA  73          1HB       ALA  73   3.702  17.711  -9.672
  584    H    PHE  74           HN       PHE  74   0.794  21.182 -10.285
  585    HA   PHE  74           HA       PHE  74  -1.200  21.972 -10.311
  586   1HB   PHE  74          2HB       PHE  74  -2.056  19.373 -11.491
  587   2HB   PHE  74          3HB       PHE  74  -2.416  21.074 -11.909
  588    HD1  PHE  74          1HD       PHE  74  -0.143  22.436 -12.609
  589    HD2  PHE  74          2HD       PHE  74  -1.005  18.264 -13.271
  590    HE1  PHE  74          1HE       PHE  74   1.239  22.475 -14.657
  591    HE2  PHE  74          2HE       PHE  74   0.328  18.319 -15.354
  592    HZ   PHE  74           HZ       PHE  74   1.440  20.432 -16.069
  593    H    GLU  75           HN       GLU  75  -0.894  21.606  -7.885
  594    HA   GLU  75           HA       GLU  75  -2.856  19.699  -6.714
  595   1HB   GLU  75          2HB       GLU  75  -0.503  21.331  -5.706
  596   2HB   GLU  75          3HB       GLU  75  -1.732  20.795  -4.583
  597   1HG   GLU  75          2HG       GLU  75  -0.345  18.847  -6.494
  598   2HG   GLU  75          3HG       GLU  75   0.347  19.292  -4.929
  599    H    GLN  76           HN       GLN  76  -2.858  22.821  -7.979
  600    HA   GLN  76           HA       GLN  76  -5.360  23.398  -6.821
  601   1HB   GLN  76          2HB       GLN  76  -3.601  24.035  -4.991
  602   2HB   GLN  76          3HB       GLN  76  -3.255  25.443  -5.977
  603   1HG   GLN  76          2HG       GLN  76  -5.513  26.251  -5.675
  604   2HG   GLN  76          3HG       GLN  76  -6.084  24.673  -5.110
  605   1HE2  GLN  76          2HE2      GLN  76  -4.470  27.220  -2.402
  606   2HE2  GLN  76          1HE2      GLN  76  -4.524  27.643  -4.108
   
  No H/Q in entry =         606
  Start of MODEL   18
    1   1H    ALA   2          3HN       ALA   2   2.476   9.321  12.416
    2   2H    ALA   2          1HN       ALA   2   2.555   7.705  12.141
    3   3H    ALA   2          2HN       ALA   2   3.612   8.738  11.381
    4    HA   ALA   2           HA       ALA   2   2.072   8.006   9.820
    5   1HB   ALA   2          1HB       ALA   2   0.182   7.506  11.306
    6   2HB   ALA   2          2HB       ALA   2  -0.053   9.249  11.607
    7   3HB   ALA   2          3HB       ALA   2  -0.288   8.572   9.985
    8    H    LYS   3           HN       LYS   3   2.461   9.329   8.187
    9    HA   LYS   3           HA       LYS   3   1.514  12.060   8.198
   10   1HB   LYS   3          2HB       LYS   3   3.951  12.198   8.694
   11   2HB   LYS   3          3HB       LYS   3   4.314  11.423   7.155
   12   1HG   LYS   3          2HG       LYS   3   2.570  13.912   7.242
   13   2HG   LYS   3          3HG       LYS   3   4.276  14.119   7.595
   14   1HD   LYS   3          2HD       LYS   3   3.343  12.704   5.086
   15   2HD   LYS   3          3HD       LYS   3   3.509  14.463   5.148
   16   1HE   LYS   3          2HE       LYS   3   5.805  12.593   5.851
   17   2HE   LYS   3          3HE       LYS   3   5.436  13.032   4.181
   18   1HZ   LYS   3          1HZ       LYS   3   5.986  15.074   6.260
   19   2HZ   LYS   3          2HZ       LYS   3   7.085  14.395   5.281
   20   3HZ   LYS   3          3HZ       LYS   3   5.891  15.277   4.605
   21    H    GLN   4           HN       GLN   4   1.067  12.621   5.841
   22    HA   GLN   4           HA       GLN   4  -0.073  10.569   4.380
   23   1HB   GLN   4          2HB       GLN   4   0.088  12.358   2.695
   24   2HB   GLN   4          3HB       GLN   4  -0.915  12.712   4.081
   25   1HG   GLN   4          2HG       GLN   4   1.921  13.802   3.668
   26   2HG   GLN   4          3HG       GLN   4   0.510  14.560   2.984
   27   1HE2  GLN   4          2HE2      GLN   4   0.756  16.525   5.984
   28   2HE2  GLN   4          1HE2      GLN   4   1.514  16.396   4.406
   29    H    ASP   5           HN       ASP   5   1.233   8.902   3.900
   30    HA   ASP   5           HA       ASP   5   3.530   9.190   2.059
   31   1HB   ASP   5          2HB       ASP   5   4.484   8.906   4.285
   32   2HB   ASP   5          3HB       ASP   5   3.278   7.679   4.672
   33    H    TYR   6           HN       TYR   6   3.912   6.932   1.228
   34    HA   TYR   6           HA       TYR   6   1.678   5.035   1.463
   35   1HB   TYR   6          2HB       TYR   6   2.722   6.007  -1.229
   36   2HB   TYR   6          3HB       TYR   6   1.702   4.585  -1.010
   37    HD1  TYR   6           HD2      TYR   6  -0.426   5.207   0.729
   38    HD2  TYR   6           HD1      TYR   6   1.509   7.888  -2.044
   39    HE1  TYR   6           HE2      TYR   6  -2.516   6.440   0.481
   40    HE2  TYR   6           HE1      TYR   6  -0.592   9.187  -2.223
   41    HH   TYR   6           HH       TYR   6  -3.629   7.969  -0.862
   42    H    TYR   7           HN       TYR   7   5.071   5.743   1.058
   43    HA   TYR   7           HA       TYR   7   5.602   3.065  -0.049
   44   1HB   TYR   7          2HB       TYR   7   7.477   5.351   0.541
   45   2HB   TYR   7          3HB       TYR   7   7.838   3.871  -0.344
   46    HD1  TYR   7           HD1      TYR   7   5.887   7.068  -0.462
   47    HD2  TYR   7           HD2      TYR   7   7.063   3.562  -2.675
   48    HE1  TYR   7           HE1      TYR   7   5.647   8.320  -2.577
   49    HE2  TYR   7           HE2      TYR   7   6.642   4.784  -4.795
   50    HH   TYR   7           HH       TYR   7   6.156   8.334  -4.817
   51    H    GLU   8           HN       GLU   8   5.965   4.843   3.114
   52    HA   GLU   8           HA       GLU   8   7.391   2.593   4.202
   53   1HB   GLU   8          2HB       GLU   8   7.227   5.379   4.814
   54   2HB   GLU   8          3HB       GLU   8   6.380   4.531   6.117
   55   1HG   GLU   8          2HG       GLU   8   8.238   2.926   6.208
   56   2HG   GLU   8          3HG       GLU   8   9.199   3.905   5.089
   57    H    ILE   9           HN       ILE   9   4.146   3.917   3.802
   58    HA   ILE   9           HA       ILE   9   2.840   2.229   5.588
   59    HB   ILE   9           HB       ILE   9   1.783   3.174   2.911
   60   1HG1  ILE   9          2HG1      ILE   9   1.781   4.341   5.734
   61   2HG1  ILE   9          3HG1      ILE   9   2.454   5.054   4.259
   62   1HG2  ILE   9          2HG2      ILE   9   0.501   1.244   3.840
   63   2HG2  ILE   9          3HG2      ILE   9   0.284   2.149   5.352
   64   3HG2  ILE   9          1HG2      ILE   9  -0.433   2.727   3.831
   65   1HD1  ILE   9          2HD1      ILE   9   0.104   5.131   3.331
   66   2HD1  ILE   9          3HD1      ILE   9  -0.456   4.719   4.975
   67   3HD1  ILE   9          1HD1      ILE   9   0.456   6.211   4.702
   68    H    LEU  10           HN       LEU  10   3.699   1.567   2.059
   69    HA   LEU  10           HA       LEU  10   3.032  -1.236   2.390
   70   1HB   LEU  10          2HB       LEU  10   4.355   0.470   0.296
   71   2HB   LEU  10          3HB       LEU  10   4.502  -1.290   0.198
   72    HG   LEU  10           HG       LEU  10   1.764  -0.126   0.732
   73   1HD1  LEU  10          3HD1      LEU  10   2.595   1.194  -1.164
   74   2HD1  LEU  10          1HD1      LEU  10   2.987  -0.317  -2.022
   75   3HD1  LEU  10          2HD1      LEU  10   1.304   0.078  -1.635
   76   1HD2  LEU  10          1HD2      LEU  10   2.146  -2.614   0.773
   77   2HD2  LEU  10          2HD2      LEU  10   1.038  -2.111  -0.514
   78   3HD2  LEU  10          3HD2      LEU  10   2.716  -2.532  -0.902
   79    H    GLY  11           HN       GLY  11   5.924   0.721   2.933
   80   1HA   GLY  11          1HA       GLY  11   7.393   0.271   4.722
   81   2HA   GLY  11          2HA       GLY  11   6.795  -1.403   4.804
   82    H    VAL  12           HN       VAL  12   8.160   0.791   2.323
   83    HA   VAL  12           HA       VAL  12  10.224  -1.099   1.476
   84    HB   VAL  12           HB       VAL  12   7.978  -1.909   0.760
   85   1HG1  VAL  12          1HG1      VAL  12   6.928   0.309   0.290
   86   2HG1  VAL  12          2HG1      VAL  12   7.904   0.403  -1.190
   87   3HG1  VAL  12          3HG1      VAL  12   6.716  -0.905  -0.947
   88   1HG2  VAL  12          2HG2      VAL  12   9.839  -2.756  -0.342
   89   2HG2  VAL  12          3HG2      VAL  12   8.489  -2.520  -1.469
   90   3HG2  VAL  12          1HG2      VAL  12   9.848  -1.389  -1.481
   91    H    SER  13           HN       SER  13  11.201  -0.181  -0.558
   92    HA   SER  13           HA       SER  13  12.245   2.319   0.213
   93   1HB   SER  13          2HB       SER  13  13.094   0.431  -1.575
   94   2HB   SER  13          3HB       SER  13  12.566   1.691  -2.688
   95    HG   SER  13           HG       SER  13  13.926   3.102  -1.142
   96    H    LYS  14           HN       LYS  14  12.226   4.409  -0.839
   97    HA   LYS  14           HA       LYS  14   9.589   5.387  -0.900
   98   1HB   LYS  14          2HB       LYS  14  12.292   6.592  -1.539
   99   2HB   LYS  14          3HB       LYS  14  10.811   7.515  -1.638
  100   1HG   LYS  14          2HG       LYS  14  10.268   6.917   0.752
  101   2HG   LYS  14          3HG       LYS  14  11.754   5.963   0.806
  102   1HD   LYS  14          2HD       LYS  14  12.356   7.920   1.859
  103   2HD   LYS  14          3HD       LYS  14  13.032   8.089   0.253
  104   1HE   LYS  14          2HE       LYS  14  10.480   9.398   1.386
  105   2HE   LYS  14          3HE       LYS  14  12.032  10.187   1.060
  106   1HZ   LYS  14          2HZ       LYS  14  11.667   9.749  -1.291
  107   2HZ   LYS  14          3HZ       LYS  14  10.121   9.236  -0.945
  108   3HZ   LYS  14          1HZ       LYS  14  10.549  10.755  -0.569
  109    H    THR  15           HN       THR  15  11.504   4.232  -3.562
  110    HA   THR  15           HA       THR  15   9.094   4.607  -5.194
  111    HB   THR  15           HB       THR  15  10.359   5.227  -7.177
  112    HG1  THR  15          1HG       THR  15  12.482   4.564  -6.499
  113   1HG2  THR  15          3HG2      THR  15   9.269   6.952  -5.788
  114   2HG2  THR  15          1HG2      THR  15  10.820   7.247  -4.964
  115   3HG2  THR  15          2HG2      THR  15  10.657   7.574  -6.698
  116    H    ALA  16           HN       ALA  16   9.591   2.404  -3.823
  117    HA   ALA  16           HA       ALA  16  11.366   0.559  -5.012
  118   1HB   ALA  16          1HB       ALA  16   8.703   0.091  -3.648
  119   2HB   ALA  16          2HB       ALA  16   9.913  -1.169  -3.984
  120   3HB   ALA  16          3HB       ALA  16  10.303   0.180  -2.887
  121    H    GLU  17           HN       GLU  17  11.058  -1.092  -6.534
  122    HA   GLU  17           HA       GLU  17   9.694  -0.423  -8.930
  123   1HB   GLU  17          2HB       GLU  17  11.788  -1.909  -8.303
  124   2HB   GLU  17          3HB       GLU  17  10.611  -3.211  -8.098
  125   1HG   GLU  17          2HG       GLU  17   9.943  -2.981 -10.420
  126   2HG   GLU  17          3HG       GLU  17  10.880  -1.475 -10.586
  127    H    GLU  18           HN       GLU  18   7.603  -1.129  -9.637
  128    HA   GLU  18           HA       GLU  18   5.641  -1.685  -7.724
  129   1HB   GLU  18          2HB       GLU  18   5.576  -1.067 -10.354
  130   2HB   GLU  18          3HB       GLU  18   5.308  -2.816 -10.510
  131   1HG   GLU  18          2HG       GLU  18   3.334  -2.604  -9.029
  132   2HG   GLU  18          3HG       GLU  18   3.577  -0.844  -8.988
  133    H    ARG  19           HN       ARG  19   7.557  -3.782  -9.814
  134    HA   ARG  19           HA       ARG  19   6.648  -6.333  -9.289
  135   1HB   ARG  19          2HB       ARG  19   8.648  -5.388 -10.688
  136   2HB   ARG  19          3HB       ARG  19   9.609  -5.680  -9.228
  137   1HG   ARG  19          2HG       ARG  19   8.640  -8.108  -9.333
  138   2HG   ARG  19          3HG       ARG  19   8.071  -7.668 -10.951
  139   1HD   ARG  19          2HD       ARG  19  10.903  -7.884  -9.883
  140   2HD   ARG  19          3HD       ARG  19  10.242  -8.696 -11.307
  141    HE   ARG  19           HE       ARG  19  11.427  -6.024 -11.054
  142   1HH1  ARG  19          2HH2      ARG  19   9.142  -7.796 -13.094
  143   2HH1  ARG  19          1HH2      ARG  19   9.135  -6.537 -14.319
  144   1HH2  ARG  19          2HH1      ARG  19  11.483  -4.568 -12.562
  145   2HH2  ARG  19          1HH1      ARG  19  10.718  -4.720 -14.139
  146    H    GLU  20           HN       GLU  20   8.630  -4.266  -7.137
  147    HA   GLU  20           HA       GLU  20   8.872  -6.362  -5.104
  148   1HB   GLU  20          2HB       GLU  20  10.764  -4.865  -5.516
  149   2HB   GLU  20          3HB       GLU  20   9.790  -3.464  -5.035
  150   1HG   GLU  20          2HG       GLU  20   9.548  -4.340  -2.780
  151   2HG   GLU  20          3HG       GLU  20  10.270  -5.885  -3.239
  152    H    ILE  21           HN       ILE  21   7.025  -3.340  -5.745
  153    HA   ILE  21           HA       ILE  21   5.720  -3.157  -3.233
  154    HB   ILE  21           HB       ILE  21   4.694  -2.495  -6.016
  155   1HG1  ILE  21          2HG1      ILE  21   6.637  -1.110  -5.451
  156   2HG1  ILE  21          3HG1      ILE  21   5.172  -0.145  -5.385
  157   1HG2  ILE  21          2HG2      ILE  21   3.395  -2.075  -3.367
  158   2HG2  ILE  21          3HG2      ILE  21   3.134  -0.921  -4.699
  159   3HG2  ILE  21          1HG2      ILE  21   2.753  -2.617  -4.934
  160   1HD1  ILE  21          2HD1      ILE  21   5.183  -0.662  -2.819
  161   2HD1  ILE  21          3HD1      ILE  21   6.830  -1.238  -3.111
  162   3HD1  ILE  21          1HD1      ILE  21   6.413   0.450  -3.443
  163    H    ARG  22           HN       ARG  22   5.079  -5.287  -5.986
  164    HA   ARG  22           HA       ARG  22   2.781  -6.615  -5.030
  165   1HB   ARG  22          2HB       ARG  22   4.837  -7.090  -7.017
  166   2HB   ARG  22          3HB       ARG  22   4.712  -8.544  -6.041
  167   1HG   ARG  22          2HG       ARG  22   3.230  -8.929  -7.739
  168   2HG   ARG  22          3HG       ARG  22   2.160  -8.412  -6.425
  169   1HD   ARG  22          2HD       ARG  22   2.104  -6.104  -7.451
  170   2HD   ARG  22          3HD       ARG  22   3.257  -6.617  -8.648
  171    HE   ARG  22           HE       ARG  22   1.708  -8.180  -9.633
  172   1HH1  ARG  22          2HH2      ARG  22   0.121  -6.004  -7.322
  173   2HH1  ARG  22          1HH2      ARG  22  -1.171  -5.601  -8.431
  174   1HH2  ARG  22          2HH1      ARG  22  -0.386  -8.314 -10.626
  175   2HH2  ARG  22          1HH1      ARG  22  -1.650  -7.276 -10.041
  176    H    LYS  23           HN       LYS  23   6.248  -7.227  -4.241
  177    HA   LYS  23           HA       LYS  23   5.776  -9.392  -2.558
  178   1HB   LYS  23          2HB       LYS  23   8.155  -7.588  -2.900
  179   2HB   LYS  23          3HB       LYS  23   8.050  -8.649  -1.509
  180   1HG   LYS  23          2HG       LYS  23   9.260  -9.660  -3.266
  181   2HG   LYS  23          3HG       LYS  23   7.800 -10.620  -2.884
  182   1HD   LYS  23          2HD       LYS  23   6.634  -9.692  -4.873
  183   2HD   LYS  23          3HD       LYS  23   7.984  -8.612  -5.134
  184   1HE   LYS  23          2HE       LYS  23   7.618 -11.509  -5.814
  185   2HE   LYS  23          3HE       LYS  23   8.450 -10.234  -6.722
  186   1HZ   LYS  23          3HZ       LYS  23   9.550 -11.620  -4.322
  187   2HZ   LYS  23          1HZ       LYS  23   9.996 -11.892  -5.882
  188   3HZ   LYS  23          2HZ       LYS  23  10.321 -10.469  -5.172
  189    H    ALA  24           HN       ALA  24   6.192  -5.885  -1.944
  190    HA   ALA  24           HA       ALA  24   6.083  -5.898   0.862
  191   1HB   ALA  24          1HB       ALA  24   6.592  -3.847  -0.446
  192   2HB   ALA  24          2HB       ALA  24   4.910  -3.791  -1.030
  193   3HB   ALA  24          3HB       ALA  24   5.250  -3.586   0.686
  194    H    TYR  25           HN       TYR  25   3.396  -5.382  -1.447
  195    HA   TYR  25           HA       TYR  25   1.322  -5.255   0.416
  196   1HB   TYR  25          2HB       TYR  25   1.259  -4.690  -2.004
  197   2HB   TYR  25          3HB       TYR  25   1.276  -6.401  -2.417
  198    HD1  TYR  25           HD2      TYR  25  -0.723  -7.831  -1.866
  199    HD2  TYR  25           HD1      TYR  25  -0.689  -3.603  -1.183
  200    HE1  TYR  25           HE2      TYR  25  -3.223  -7.809  -1.878
  201    HE2  TYR  25           HE1      TYR  25  -3.162  -3.580  -1.081
  202    HH   TYR  25           HH       TYR  25  -5.073  -4.818  -1.289
  203    H    LYS  26           HN       LYS  26   2.567  -8.134  -1.337
  204    HA   LYS  26           HA       LYS  26   0.733  -9.914  -0.248
  205   1HB   LYS  26          2HB       LYS  26   2.159 -10.156  -2.267
  206   2HB   LYS  26          3HB       LYS  26   3.539 -10.551  -1.253
  207   1HG   LYS  26          2HG       LYS  26   0.850 -12.028  -1.266
  208   2HG   LYS  26          3HG       LYS  26   2.166 -12.436  -2.358
  209   1HD   LYS  26          2HD       LYS  26   2.272 -12.656   0.685
  210   2HD   LYS  26          3HD       LYS  26   2.043 -13.960  -0.467
  211   1HE   LYS  26          2HE       LYS  26   4.280 -13.411  -1.498
  212   2HE   LYS  26          3HE       LYS  26   4.555 -12.228  -0.199
  213   1HZ   LYS  26          2HZ       LYS  26   4.124 -15.116   0.204
  214   2HZ   LYS  26          3HZ       LYS  26   5.576 -14.347   0.277
  215   3HZ   LYS  26          1HZ       LYS  26   4.446 -14.013   1.391
  216    H    ARG  27           HN       ARG  27   4.034  -9.072   0.833
  217    HA   ARG  27           HA       ARG  27   4.202 -10.913   3.005
  218   1HB   ARG  27          2HB       ARG  27   6.138  -9.603   1.976
  219   2HB   ARG  27          3HB       ARG  27   5.460  -8.145   2.691
  220   1HG   ARG  27          2HG       ARG  27   7.131  -8.764   4.213
  221   2HG   ARG  27          3HG       ARG  27   5.665  -9.375   4.977
  222   1HD   ARG  27          2HD       ARG  27   6.376 -11.537   3.432
  223   2HD   ARG  27          3HD       ARG  27   7.975 -10.815   3.708
  224    HE   ARG  27           HE       ARG  27   6.916 -10.911   6.250
  225   1HH1  ARG  27          2HH2      ARG  27   7.779 -13.205   3.717
  226   2HH1  ARG  27          1HH2      ARG  27   7.557 -14.614   4.719
  227   1HH2  ARG  27          2HH1      ARG  27   6.508 -12.813   7.586
  228   2HH2  ARG  27          1HH1      ARG  27   6.943 -14.377   6.951
  229    H    LEU  28           HN       LEU  28   3.170  -7.477   2.821
  230    HA   LEU  28           HA       LEU  28   2.484  -7.081   5.494
  231   1HB   LEU  28          2HB       LEU  28   1.814  -5.833   2.870
  232   2HB   LEU  28          3HB       LEU  28   0.594  -5.603   4.092
  233    HG   LEU  28           HG       LEU  28   3.499  -5.086   4.756
  234   1HD1  LEU  28          1HD1      LEU  28   1.518  -3.123   3.541
  235   2HD1  LEU  28          2HD1      LEU  28   3.095  -2.718   4.247
  236   3HD1  LEU  28          3HD1      LEU  28   3.012  -3.731   2.785
  237   1HD2  LEU  28          3HD2      LEU  28   1.671  -5.226   6.564
  238   2HD2  LEU  28          1HD2      LEU  28   2.557  -3.689   6.487
  239   3HD2  LEU  28          2HD2      LEU  28   0.925  -3.818   5.802
  240    H    ALA  29           HN       ALA  29   0.397  -8.230   2.796
  241    HA   ALA  29           HA       ALA  29  -1.945  -8.611   4.290
  242   1HB   ALA  29          1HB       ALA  29  -0.913 -10.310   1.984
  243   2HB   ALA  29          2HB       ALA  29  -2.570 -10.278   2.613
  244   3HB   ALA  29          3HB       ALA  29  -1.886  -8.821   1.855
  245    H    MET  30           HN       MET  30   0.862 -10.790   3.878
  246    HA   MET  30           HA       MET  30  -0.236 -12.778   5.645
  247   1HB   MET  30          2HB       MET  30   2.441 -12.499   4.282
  248   2HB   MET  30          3HB       MET  30   2.002 -13.833   5.371
  249   1HG   MET  30          2HG       MET  30   0.047 -14.382   3.973
  250   2HG   MET  30          3HG       MET  30   0.420 -13.051   2.879
  251   1HE   MET  30          1HE       MET  30   1.650 -16.491   4.293
  252   2HE   MET  30          2HE       MET  30   3.061 -16.809   3.250
  253   3HE   MET  30          3HE       MET  30   3.124 -15.507   4.451
  254    H    LYS  31           HN       LYS  31   1.344  -9.798   6.355
  255    HA   LYS  31           HA       LYS  31   2.720 -10.685   8.721
  256   1HB   LYS  31          2HB       LYS  31   3.591  -8.780   7.584
  257   2HB   LYS  31          3HB       LYS  31   2.020  -8.000   7.510
  258   1HG   LYS  31          2HG       LYS  31   2.000  -7.582   9.916
  259   2HG   LYS  31          3HG       LYS  31   3.617  -8.289  10.031
  260   1HD   LYS  31          2HD       LYS  31   4.628  -6.553   8.833
  261   2HD   LYS  31          3HD       LYS  31   3.122  -6.046   8.075
  262   1HE   LYS  31          2HE       LYS  31   3.744  -4.421   9.779
  263   2HE   LYS  31          3HE       LYS  31   2.251  -5.232  10.256
  264   1HZ   LYS  31          3HZ       LYS  31   3.745  -6.697  11.682
  265   2HZ   LYS  31          1HZ       LYS  31   4.970  -5.651  11.305
  266   3HZ   LYS  31          2HZ       LYS  31   3.645  -5.127  12.104
  267    H    TYR  32           HN       TYR  32   0.066  -8.328   8.319
  268    HA   TYR  32           HA       TYR  32  -0.698  -8.719  11.111
  269   1HB   TYR  32          2HB       TYR  32  -2.329  -6.979  10.738
  270   2HB   TYR  32          3HB       TYR  32  -0.737  -6.495  10.168
  271    HD1  TYR  32           HD1      TYR  32  -4.164  -7.417   9.175
  272    HD2  TYR  32           HD2      TYR  32  -0.323  -6.091   7.772
  273    HE1  TYR  32           HE1      TYR  32  -5.042  -7.316   6.838
  274    HE2  TYR  32           HE2      TYR  32  -1.201  -6.035   5.465
  275    HH   TYR  32           HH       TYR  32  -4.238  -7.447   4.604
  276    H    HIS  33           HN       HIS  33  -1.778  -9.751   7.999
  277    HA   HIS  33           HA       HIS  33  -3.526 -11.008   7.272
  278   1HB   HIS  33          2HB       HIS  33  -1.209 -11.924   7.665
  279   2HB   HIS  33          3HB       HIS  33  -1.839 -12.763   9.031
  280    HD1  HIS  33           HD1      HIS  33  -3.171 -12.288   5.386
  281    HD2  HIS  33           HD2      HIS  33  -1.742 -15.204   8.027
  282    HE1  HIS  33           HE1      HIS  33  -3.090 -14.468   4.068
  283    HA   PRO  34           HA       PRO  34  -6.488 -11.744  10.646
  284   1HB   PRO  34          2HB       PRO  34  -8.753 -10.973   9.253
  285   2HB   PRO  34          3HB       PRO  34  -7.714  -9.847  10.164
  286   1HG   PRO  34          2HG       PRO  34  -7.787 -10.211   7.181
  287   2HG   PRO  34          3HG       PRO  34  -7.529  -8.757   8.152
  288   1HD   PRO  34          2HD       PRO  34  -5.539 -10.323   6.965
  289   2HD   PRO  34          3HD       PRO  34  -5.270  -9.170   8.301
  290    H    ASP  35           HN       ASP  35  -7.753 -12.050   7.361
  291    HA   ASP  35           HA       ASP  35  -8.924 -13.560   6.369
  292   1HB   ASP  35          2HB       ASP  35  -6.509 -15.225   6.987
  293   2HB   ASP  35          3HB       ASP  35  -7.934 -15.965   6.252
  294    H    ARG  36           HN       ARG  36 -10.746 -13.621   7.217
  295    HA   ARG  36           HA       ARG  36 -12.486 -13.828   8.608
  296   1HB   ARG  36          2HB       ARG  36 -12.978 -16.030   9.681
  297   2HB   ARG  36          3HB       ARG  36 -12.855 -16.016   7.923
  298   1HG   ARG  36          2HG       ARG  36 -10.699 -17.128   7.944
  299   2HG   ARG  36          3HG       ARG  36 -10.594 -16.920   9.706
  300   1HD   ARG  36          2HD       ARG  36 -12.646 -18.281   9.971
  301   2HD   ARG  36          3HD       ARG  36 -12.489 -18.779   8.283
  302    HE   ARG  36           HE       ARG  36 -10.075 -19.442   8.944
  303   1HH1  ARG  36          2HH2      ARG  36 -12.829 -19.976  11.073
  304   2HH1  ARG  36          1HH2      ARG  36 -11.869 -20.602  12.395
  305   1HH2  ARG  36          2HH1      ARG  36  -8.868 -20.397  10.441
  306   2HH2  ARG  36          1HH1      ARG  36  -9.523 -21.066  11.935
  307    H    ASN  37           HN       ASN  37 -10.951 -12.212   9.750
  308    HA   ASN  37           HA       ASN  37 -10.772 -13.093  12.586
  309   1HB   ASN  37          2HB       ASN  37  -8.409 -12.963  11.230
  310   2HB   ASN  37          3HB       ASN  37  -8.476 -11.323  11.846
  311   1HD2  ASN  37          2HD2      ASN  37  -8.465 -12.430  15.323
  312   2HD2  ASN  37          1HD2      ASN  37  -9.157 -11.152  14.347
  313    H    GLN  38           HN       GLN  38 -12.731 -11.953  12.671
  314    HA   GLN  38           HA       GLN  38 -13.966 -10.079  13.194
  315   1HB   GLN  38          2HB       GLN  38 -12.211 -10.165  14.965
  316   2HB   GLN  38          3HB       GLN  38 -11.203  -9.096  13.977
  317   1HG   GLN  38          2HG       GLN  38 -12.987  -7.367  14.111
  318   2HG   GLN  38          3HG       GLN  38 -13.859  -8.392  15.267
  319   1HE2  GLN  38          2HE2      GLN  38 -11.762  -7.277  17.934
  320   2HE2  GLN  38          1HE2      GLN  38 -13.247  -8.083  17.486
  321    H    GLY  39           HN       GLY  39 -14.611  -9.536  11.010
  322   1HA   GLY  39          1HA       GLY  39 -13.079  -7.608   9.403
  323   2HA   GLY  39          2HA       GLY  39 -14.704  -8.235   9.096
  324    H    ASP  40           HN       ASP  40 -13.225  -6.592  11.911
  325    HA   ASP  40           HA       ASP  40 -15.350  -4.788  12.135
  326   1HB   ASP  40          2HB       ASP  40 -14.320  -5.627  14.174
  327   2HB   ASP  40          3HB       ASP  40 -12.746  -4.946  13.688
  328    H    LYS  41           HN       LYS  41 -14.790  -2.416  12.177
  329    HA   LYS  41           HA       LYS  41 -13.789  -1.693   9.613
  330   1HB   LYS  41          2HB       LYS  41 -14.600  -0.090  12.044
  331   2HB   LYS  41          3HB       LYS  41 -14.059   0.672  10.532
  332   1HG   LYS  41          2HG       LYS  41 -15.765  -0.388   9.235
  333   2HG   LYS  41          3HG       LYS  41 -16.274  -1.431  10.583
  334   1HD   LYS  41          2HD       LYS  41 -16.859   0.622  11.893
  335   2HD   LYS  41          3HD       LYS  41 -16.532   1.598  10.442
  336   1HE   LYS  41          2HE       LYS  41 -18.629  -0.627  10.711
  337   2HE   LYS  41          3HE       LYS  41 -18.943   1.110  10.780
  338   1HZ   LYS  41          1HZ       LYS  41 -18.137   1.285   8.507
  339   2HZ   LYS  41          2HZ       LYS  41 -17.976  -0.363   8.402
  340   3HZ   LYS  41          3HZ       LYS  41 -19.454   0.341   8.682
  341    H    GLU  42           HN       GLU  42 -12.119  -1.927  12.757
  342    HA   GLU  42           HA       GLU  42  -9.938  -0.309  11.895
  343   1HB   GLU  42          2HB       GLU  42  -8.700  -1.184  13.811
  344   2HB   GLU  42          3HB       GLU  42 -10.270  -0.520  14.173
  345   1HG   GLU  42          2HG       GLU  42 -10.752  -2.291  15.278
  346   2HG   GLU  42          3HG       GLU  42 -10.892  -3.221  13.784
  347    H    ALA  43           HN       ALA  43  -9.952  -3.939  12.220
  348    HA   ALA  43           HA       ALA  43  -7.694  -4.338  10.814
  349   1HB   ALA  43          1HB       ALA  43 -10.192  -6.139  10.864
  350   2HB   ALA  43          2HB       ALA  43  -8.603  -6.692  10.355
  351   3HB   ALA  43          3HB       ALA  43  -8.854  -6.192  12.019
  352    H    GLU  44           HN       GLU  44 -10.958  -3.804   9.537
  353    HA   GLU  44           HA       GLU  44 -10.345  -4.304   6.791
  354   1HB   GLU  44          2HB       GLU  44 -12.606  -4.192   7.944
  355   2HB   GLU  44          3HB       GLU  44 -12.407  -2.432   8.031
  356   1HG   GLU  44          2HG       GLU  44 -12.365  -2.317   5.591
  357   2HG   GLU  44          3HG       GLU  44 -12.497  -4.073   5.466
  358    H    ALA  45           HN       ALA  45 -10.406  -1.229   8.682
  359    HA   ALA  45           HA       ALA  45  -9.719   0.395   6.532
  360   1HB   ALA  45          1HB       ALA  45  -9.252   0.799   9.524
  361   2HB   ALA  45          2HB       ALA  45  -9.080   2.072   8.308
  362   3HB   ALA  45          3HB       ALA  45 -10.662   1.339   8.579
  363    H    LYS  46           HN       LYS  46  -7.772  -1.356   8.892
  364    HA   LYS  46           HA       LYS  46  -5.227  -0.402   8.274
  365   1HB   LYS  46          2HB       LYS  46  -6.064  -2.109  10.073
  366   2HB   LYS  46          3HB       LYS  46  -5.805  -3.362   8.876
  367   1HG   LYS  46          2HG       LYS  46  -3.406  -2.172   8.677
  368   2HG   LYS  46          3HG       LYS  46  -3.929  -1.449  10.218
  369   1HD   LYS  46          2HD       LYS  46  -4.438  -3.985  10.857
  370   2HD   LYS  46          3HD       LYS  46  -3.299  -4.333   9.548
  371   1HE   LYS  46          2HE       LYS  46  -2.846  -2.835  12.159
  372   2HE   LYS  46          3HE       LYS  46  -2.067  -4.316  11.598
  373   1HZ   LYS  46          3HZ       LYS  46  -1.028  -2.891   9.835
  374   2HZ   LYS  46          1HZ       LYS  46  -1.583  -1.557  10.597
  375   3HZ   LYS  46          2HZ       LYS  46  -0.519  -2.576  11.340
  376    H    PHE  47           HN       PHE  47  -7.193  -2.859   6.609
  377    HA   PHE  47           HA       PHE  47  -5.069  -3.450   4.658
  378   1HB   PHE  47          2HB       PHE  47  -6.671  -5.193   5.240
  379   2HB   PHE  47          3HB       PHE  47  -8.033  -4.142   4.857
  380    HD1  PHE  47          2HD       PHE  47  -4.907  -5.308   3.067
  381    HD2  PHE  47          1HD       PHE  47  -9.194  -4.758   2.933
  382    HE1  PHE  47          2HE       PHE  47  -5.002  -6.516   0.917
  383    HE2  PHE  47          1HE       PHE  47  -9.257  -5.844   0.715
  384    HZ   PHE  47           HZ       PHE  47  -7.169  -6.741  -0.299
  385    H    LYS  48           HN       LYS  48  -7.870  -1.230   4.960
  386    HA   LYS  48           HA       LYS  48  -7.986  -0.479   2.245
  387   1HB   LYS  48          2HB       LYS  48  -8.729   1.150   4.666
  388   2HB   LYS  48          3HB       LYS  48  -8.907   1.695   2.999
  389   1HG   LYS  48          2HG       LYS  48 -10.288  -0.217   2.431
  390   2HG   LYS  48          3HG       LYS  48 -10.064  -0.885   4.048
  391   1HD   LYS  48          2HD       LYS  48 -11.270   1.080   5.010
  392   2HD   LYS  48          3HD       LYS  48 -11.355   1.829   3.406
  393   1HE   LYS  48          2HE       LYS  48 -12.833   0.122   2.569
  394   2HE   LYS  48          3HE       LYS  48 -12.586  -0.891   3.981
  395   1HZ   LYS  48          1HZ       LYS  48 -13.677   0.821   5.309
  396   2HZ   LYS  48          2HZ       LYS  48 -14.056   1.662   3.912
  397   3HZ   LYS  48          3HZ       LYS  48 -14.632   0.148   4.152
  398    H    GLU  49           HN       GLU  49  -5.900   0.719   4.951
  399    HA   GLU  49           HA       GLU  49  -4.652   2.854   3.567
  400   1HB   GLU  49          2HB       GLU  49  -3.452   0.741   5.479
  401   2HB   GLU  49          3HB       GLU  49  -2.675   2.260   5.088
  402   1HG   GLU  49          2HG       GLU  49  -4.253   3.523   6.349
  403   2HG   GLU  49          3HG       GLU  49  -5.355   2.149   6.466
  404    H    ILE  50           HN       ILE  50  -3.777  -0.574   3.701
  405    HA   ILE  50           HA       ILE  50  -1.424  -0.253   2.095
  406    HB   ILE  50           HB       ILE  50  -3.027  -2.803   2.586
  407   1HG1  ILE  50          2HG1      ILE  50  -0.709  -1.723   4.252
  408   2HG1  ILE  50          3HG1      ILE  50  -2.409  -1.551   4.689
  409   1HG2  ILE  50          2HG2      ILE  50  -1.172  -2.802   0.799
  410   2HG2  ILE  50          3HG2      ILE  50  -0.030  -2.283   2.026
  411   3HG2  ILE  50          1HG2      ILE  50  -0.786  -3.884   2.130
  412   1HD1  ILE  50          2HD1      ILE  50  -2.734  -3.990   4.593
  413   2HD1  ILE  50          3HD1      ILE  50  -0.991  -4.158   4.305
  414   3HD1  ILE  50          1HD1      ILE  50  -1.575  -3.468   5.830
  415    H    LYS  51           HN       LYS  51  -4.805  -1.197   1.428
  416    HA   LYS  51           HA       LYS  51  -4.450  -1.766  -1.327
  417   1HB   LYS  51          2HB       LYS  51  -6.295  -2.624  -0.088
  418   2HB   LYS  51          3HB       LYS  51  -6.887  -1.004   0.311
  419   1HG   LYS  51          2HG       LYS  51  -7.627  -0.556  -1.804
  420   2HG   LYS  51          3HG       LYS  51  -6.538  -1.752  -2.578
  421   1HD   LYS  51          2HD       LYS  51  -7.940  -3.587  -1.893
  422   2HD   LYS  51          3HD       LYS  51  -8.929  -2.539  -0.862
  423   1HE   LYS  51          2HE       LYS  51  -9.994  -3.100  -3.089
  424   2HE   LYS  51          3HE       LYS  51  -9.868  -1.375  -2.724
  425   1HZ   LYS  51          1HZ       LYS  51  -7.981  -2.791  -4.496
  426   2HZ   LYS  51          2HZ       LYS  51  -9.255  -1.882  -5.012
  427   3HZ   LYS  51          3HZ       LYS  51  -8.040  -1.168  -4.204
  428    H    GLU  52           HN       GLU  52  -5.152   1.391   0.338
  429    HA   GLU  52           HA       GLU  52  -5.581   2.662  -2.235
  430   1HB   GLU  52          2HB       GLU  52  -6.474   3.361   0.087
  431   2HB   GLU  52          3HB       GLU  52  -4.916   4.131   0.350
  432   1HG   GLU  52          2HG       GLU  52  -6.477   4.697  -2.231
  433   2HG   GLU  52          3HG       GLU  52  -7.058   5.386  -0.712
  434    H    ALA  53           HN       ALA  53  -2.884   2.479   0.121
  435    HA   ALA  53           HA       ALA  53  -0.952   3.924  -1.317
  436   1HB   ALA  53          3HB       ALA  53  -0.639   2.955   0.993
  437   2HB   ALA  53          1HB       ALA  53  -0.516   1.341   0.274
  438   3HB   ALA  53          2HB       ALA  53   0.707   2.568  -0.104
  439    H    TYR  54           HN       TYR  54  -1.750   0.481  -1.586
  440    HA   TYR  54           HA       TYR  54   0.066  -0.200  -3.612
  441   1HB   TYR  54          2HB       TYR  54  -1.320  -1.713  -2.147
  442   2HB   TYR  54          3HB       TYR  54  -2.723  -1.358  -3.156
  443    HD1  TYR  54           HD1      TYR  54   0.880  -2.336  -3.580
  444    HD2  TYR  54           HD2      TYR  54  -3.223  -3.344  -4.349
  445    HE1  TYR  54           HE1      TYR  54   1.595  -4.475  -4.611
  446    HE2  TYR  54           HE2      TYR  54  -2.509  -5.521  -5.290
  447    HH   TYR  54           HH       TYR  54  -0.563  -7.029  -5.314
  448    H    GLU  55           HN       GLU  55  -3.331   1.084  -3.844
  449    HA   GLU  55           HA       GLU  55  -3.545   0.878  -6.635
  450   1HB   GLU  55          2HB       GLU  55  -5.532   1.246  -5.832
  451   2HB   GLU  55          3HB       GLU  55  -5.001   2.083  -4.372
  452   1HG   GLU  55          2HG       GLU  55  -4.863   4.133  -5.332
  453   2HG   GLU  55          3HG       GLU  55  -4.928   3.464  -6.999
  454    H    VAL  56           HN       VAL  56  -2.433   3.570  -4.481
  455    HA   VAL  56           HA       VAL  56  -1.922   5.331  -6.626
  456    HB   VAL  56           HB       VAL  56  -0.786   5.222  -3.801
  457   1HG1  VAL  56          2HG1      VAL  56  -0.357   7.282  -6.004
  458   2HG1  VAL  56          3HG1      VAL  56  -0.190   7.676  -4.286
  459   3HG1  VAL  56          1HG1      VAL  56   0.871   6.473  -5.021
  460   1HG2  VAL  56          1HG2      VAL  56  -3.230   5.644  -4.098
  461   2HG2  VAL  56          2HG2      VAL  56  -2.387   7.072  -3.473
  462   3HG2  VAL  56          3HG2      VAL  56  -2.845   6.988  -5.184
  463    H    LEU  57           HN       LEU  57   0.311   3.001  -4.989
  464    HA   LEU  57           HA       LEU  57   2.543   3.855  -6.598
  465   1HB   LEU  57          2HB       LEU  57   2.114   1.213  -5.192
  466   2HB   LEU  57          3HB       LEU  57   3.627   1.820  -5.895
  467    HG   LEU  57           HG       LEU  57   2.171   2.775  -3.415
  468   1HD1  LEU  57          1HD1      LEU  57   3.928   1.053  -3.468
  469   2HD1  LEU  57          2HD1      LEU  57   5.073   2.252  -4.095
  470   3HD1  LEU  57          3HD1      LEU  57   4.366   2.456  -2.464
  471   1HD2  LEU  57          1HD2      LEU  57   4.135   4.457  -5.021
  472   2HD2  LEU  57          2HD2      LEU  57   2.484   4.904  -4.545
  473   3HD2  LEU  57          3HD2      LEU  57   3.723   4.734  -3.315
  474    H    THR  58           HN       THR  58  -0.066   1.598  -7.245
  475    HA   THR  58           HA       THR  58   1.227   0.754  -9.772
  476    HB   THR  58           HB       THR  58  -0.745  -0.650 -10.023
  477    HG1  THR  58          1HG       THR  58  -1.503   0.450  -7.513
  478   1HG2  THR  58          3HG2      THR  58   0.624  -0.775  -7.264
  479   2HG2  THR  58          1HG2      THR  58  -0.292  -2.088  -7.996
  480   3HG2  THR  58          2HG2      THR  58   1.187  -1.495  -8.762
  481    H    ASP  59           HN       ASP  59  -0.563   3.423  -8.659
  482    HA   ASP  59           HA       ASP  59  -1.763   4.191 -11.212
  483   1HB   ASP  59          2HB       ASP  59  -2.565   4.798  -8.793
  484   2HB   ASP  59          3HB       ASP  59  -1.280   6.021  -8.849
  485    H    SER  60           HN       SER  60  -0.953   6.792 -11.425
  486    HA   SER  60           HA       SER  60   1.993   6.907 -11.531
  487   1HB   SER  60          2HB       SER  60   1.174   5.888 -13.698
  488   2HB   SER  60          3HB       SER  60   0.377   7.456 -14.019
  489    HG   SER  60           HG       SER  60   2.471   8.419 -13.835
  490    H    GLN  61           HN       GLN  61  -1.153   8.441 -12.337
  491    HA   GLN  61           HA       GLN  61  -0.335  11.166 -12.210
  492   1HB   GLN  61          2HB       GLN  61  -2.444  10.673 -13.153
  493   2HB   GLN  61          3HB       GLN  61  -2.943   9.651 -11.794
  494   1HG   GLN  61          2HG       GLN  61  -3.290  11.433 -10.335
  495   2HG   GLN  61          3HG       GLN  61  -2.362  12.569 -11.328
  496   1HE2  GLN  61          2HE2      GLN  61  -5.897  11.605 -13.152
  497   2HE2  GLN  61          1HE2      GLN  61  -4.867  10.291 -12.585
  498    H    LYS  62           HN       LYS  62  -1.817   8.972  -9.805
  499    HA   LYS  62           HA       LYS  62  -1.507  10.917  -7.648
  500   1HB   LYS  62          2HB       LYS  62  -2.018   7.930  -7.479
  501   2HB   LYS  62          3HB       LYS  62  -2.105   9.099  -6.140
  502   1HG   LYS  62          2HG       LYS  62  -3.899  10.347  -7.469
  503   2HG   LYS  62          3HG       LYS  62  -3.829   9.043  -8.655
  504   1HD   LYS  62          2HD       LYS  62  -5.668   8.491  -7.356
  505   2HD   LYS  62          3HD       LYS  62  -4.402   7.410  -6.787
  506   1HE   LYS  62          2HE       LYS  62  -4.067   9.131  -4.829
  507   2HE   LYS  62          3HE       LYS  62  -5.510   9.933  -5.466
  508   1HZ   LYS  62          1HZ       LYS  62  -6.528   7.572  -5.158
  509   2HZ   LYS  62          2HZ       LYS  62  -5.324   7.374  -4.052
  510   3HZ   LYS  62          3HZ       LYS  62  -6.418   8.566  -3.911
  511    H    ARG  63           HN       ARG  63   0.392   8.289  -8.959
  512    HA   ARG  63           HA       ARG  63   2.480   8.313  -6.910
  513   1HB   ARG  63          2HB       ARG  63   1.620   6.445  -8.660
  514   2HB   ARG  63          3HB       ARG  63   2.962   7.047  -9.593
  515   1HG   ARG  63          2HG       ARG  63   3.115   6.062  -6.721
  516   2HG   ARG  63          3HG       ARG  63   3.514   5.105  -8.162
  517   1HD   ARG  63          2HD       ARG  63   4.992   7.626  -7.275
  518   2HD   ARG  63          3HD       ARG  63   5.520   5.965  -6.992
  519    HE   ARG  63           HE       ARG  63   5.224   5.900  -9.681
  520   1HH1  ARG  63          2HH2      ARG  63   6.764   8.602  -7.836
  521   2HH1  ARG  63          1HH2      ARG  63   8.059   8.674  -8.998
  522   1HH2  ARG  63          2HH1      ARG  63   6.750   6.214 -11.109
  523   2HH2  ARG  63          1HH1      ARG  63   7.879   7.558 -11.042
  524    H    ALA  64           HN       ALA  64   2.118  10.910  -7.915
  525    HA   ALA  64           HA       ALA  64   4.774  11.595  -8.616
  526   1HB   ALA  64          3HB       ALA  64   2.651  11.787 -10.832
  527   2HB   ALA  64          1HB       ALA  64   4.169  12.698 -10.869
  528   3HB   ALA  64          2HB       ALA  64   4.197  10.929 -10.933
  529    H    ALA  65           HN       ALA  65   1.279  12.647  -8.668
  530    HA   ALA  65           HA       ALA  65   2.023  15.226  -7.912
  531   1HB   ALA  65          2HB       ALA  65  -0.442  14.154  -8.428
  532   2HB   ALA  65          3HB       ALA  65  -0.500  14.368  -6.658
  533   3HB   ALA  65          1HB       ALA  65  -0.090  15.739  -7.711
  534    H    TYR  66           HN       TYR  66   1.075  12.308  -5.972
  535    HA   TYR  66           HA       TYR  66   1.258  13.506  -3.450
  536   1HB   TYR  66          2HB       TYR  66   0.388  11.237  -3.638
  537   2HB   TYR  66          3HB       TYR  66   1.864  10.670  -4.425
  538    HD1  TYR  66           HD2      TYR  66   0.581  11.988  -1.175
  539    HD2  TYR  66           HD1      TYR  66   3.760   9.914  -3.215
  540    HE1  TYR  66           HE2      TYR  66   1.979  12.146   0.831
  541    HE2  TYR  66           HE1      TYR  66   5.152  10.067  -1.177
  542    HH   TYR  66           HH       TYR  66   4.044  11.684   1.772
  543    H    ASP  67           HN       ASP  67   3.848  12.116  -5.517
  544    HA   ASP  67           HA       ASP  67   5.988  12.436  -3.702
  545   1HB   ASP  67          2HB       ASP  67   5.611  12.320  -6.723
  546   2HB   ASP  67          3HB       ASP  67   7.163  12.566  -6.005
  547    H    GLN  68           HN       GLN  68   4.584  14.627  -6.266
  548    HA   GLN  68           HA       GLN  68   6.724  16.568  -5.769
  549   1HB   GLN  68          2HB       GLN  68   6.077  15.534  -7.930
  550   2HB   GLN  68          3HB       GLN  68   4.494  16.288  -7.855
  551   1HG   GLN  68          2HG       GLN  68   5.701  18.523  -7.856
  552   2HG   GLN  68          3HG       GLN  68   7.183  17.589  -8.172
  553   1HE2  GLN  68          2HE2      GLN  68   5.561  16.325 -11.362
  554   2HE2  GLN  68          1HE2      GLN  68   6.297  15.582  -9.963
  555    H    TYR  69           HN       TYR  69   3.243  17.041  -6.622
  556    HA   TYR  69           HA       TYR  69   2.869  18.869  -4.423
  557   1HB   TYR  69          2HB       TYR  69   2.754  20.627  -5.457
  558   2HB   TYR  69          3HB       TYR  69   4.153  19.975  -6.272
  559    HD1  TYR  69           HD2      TYR  69   3.078  18.489  -8.564
  560    HD2  TYR  69           HD1      TYR  69   1.616  22.135  -6.780
  561    HE1  TYR  69           HE2      TYR  69   1.949  19.094 -10.689
  562    HE2  TYR  69           HE1      TYR  69   0.376  22.644  -8.844
  563    HH   TYR  69           HH       TYR  69   0.784  20.795 -11.814
  564    H    GLY  70           HN       GLY  70   1.421  16.446  -4.881
  565   1HA   GLY  70          1HA       GLY  70  -1.090  16.498  -6.024
  566   2HA   GLY  70          2HA       GLY  70  -0.759  15.923  -4.404
  567    H    HIS  71           HN       HIS  71  -2.057  18.335  -6.378
  568    HA   HIS  71           HA       HIS  71  -3.264  20.194  -6.068
  569   1HB   HIS  71          2HB       HIS  71  -4.395  18.119  -4.654
  570   2HB   HIS  71          3HB       HIS  71  -4.334  19.326  -3.396
  571    HD1  HIS  71           HD1      HIS  71  -5.019  21.770  -5.632
  572    HD2  HIS  71           HD2      HIS  71  -6.909  18.037  -5.148
  573    HE1  HIS  71           HE1      HIS  71  -7.269  21.933  -6.785
  574    H    ALA  72           HN       ALA  72  -0.803  20.837  -5.632
  575    HA   ALA  72           HA       ALA  72   0.717  22.239  -4.646
  576   1HB   ALA  72          3HB       ALA  72  -1.700  23.427  -3.286
  577   2HB   ALA  72          1HB       ALA  72  -0.049  24.086  -3.330
  578   3HB   ALA  72          2HB       ALA  72  -0.967  23.904  -4.839
  579    H    ALA  73           HN       ALA  73   1.205  20.007  -3.832
  580    HA   ALA  73           HA       ALA  73   0.691  19.456  -1.022
  581   1HB   ALA  73          3HB       ALA  73   1.144  17.752  -2.924
  582   2HB   ALA  73          1HB       ALA  73   2.865  18.026  -2.611
  583   3HB   ALA  73          2HB       ALA  73   1.804  17.430  -1.354
  584    H    PHE  74           HN       PHE  74   3.797  20.109  -2.842
  585    HA   PHE  74           HA       PHE  74   4.675  21.821  -0.634
  586   1HB   PHE  74          2HB       PHE  74   6.692  21.380  -1.136
  587   2HB   PHE  74          3HB       PHE  74   6.051  19.891  -1.727
  588    HD1  PHE  74          2HD       PHE  74   5.225  20.405  -4.439
  589    HD2  PHE  74          1HD       PHE  74   8.649  21.904  -2.320
  590    HE1  PHE  74          2HE       PHE  74   6.497  20.530  -6.584
  591    HE2  PHE  74          1HE       PHE  74   9.925  21.947  -4.436
  592    HZ   PHE  74           HZ       PHE  74   8.866  21.268  -6.562
  593    H    GLU  75           HN       GLU  75   3.590  23.708  -0.853
  594    HA   GLU  75           HA       GLU  75   4.686  25.355  -2.991
  595   1HB   GLU  75          2HB       GLU  75   1.773  25.162  -2.191
  596   2HB   GLU  75          3HB       GLU  75   2.451  26.735  -2.604
  597   1HG   GLU  75          2HG       GLU  75   2.638  24.305  -4.425
  598   2HG   GLU  75          3HG       GLU  75   1.395  25.527  -4.549
  599    H    GLN  76           HN       GLN  76   5.377  24.444  -0.283
  600    HA   GLN  76           HA       GLN  76   6.434  26.960   0.466
  601   1HB   GLN  76          2HB       GLN  76   4.458  26.332   2.140
  602   2HB   GLN  76          3HB       GLN  76   5.594  25.095   2.714
  603   1HG   GLN  76          2HG       GLN  76   7.304  26.983   3.002
  604   2HG   GLN  76          3HG       GLN  76   6.010  28.118   2.593
  605   1HE2  GLN  76          2HE2      GLN  76   4.231  27.488   5.705
  606   2HE2  GLN  76          1HE2      GLN  76   3.906  27.700   3.963
   
  No H/Q in entry =         606
  Start of MODEL   19
    1   1H    ALA   2          1HN       ALA   2   2.870  16.448   7.592
    2   2H    ALA   2          2HN       ALA   2   1.379  16.902   8.119
    3   3H    ALA   2          3HN       ALA   2   2.314  15.834   9.000
    4    HA   ALA   2           HA       ALA   2   2.020  14.127   7.540
    5   1HB   ALA   2          3HB       ALA   2  -0.170  14.607   8.622
    6   2HB   ALA   2          1HB       ALA   2  -0.577  15.733   7.309
    7   3HB   ALA   2          2HB       ALA   2  -0.405  14.009   6.965
    8    H    LYS   3           HN       LYS   3   2.443  13.472   5.450
    9    HA   LYS   3           HA       LYS   3   1.535  15.123   3.257
   10   1HB   LYS   3          2HB       LYS   3   3.650  15.092   2.027
   11   2HB   LYS   3          3HB       LYS   3   3.672  16.139   3.447
   12   1HG   LYS   3          2HG       LYS   3   4.966  14.487   4.708
   13   2HG   LYS   3          3HG       LYS   3   4.895  13.345   3.346
   14   1HD   LYS   3          2HD       LYS   3   6.077  14.952   1.888
   15   2HD   LYS   3          3HD       LYS   3   6.142  16.139   3.187
   16   1HE   LYS   3          2HE       LYS   3   7.504  13.387   3.211
   17   2HE   LYS   3          3HE       LYS   3   8.284  14.933   2.856
   18   1HZ   LYS   3          1HZ       LYS   3   7.586  15.648   5.124
   19   2HZ   LYS   3          2HZ       LYS   3   7.208  14.085   5.477
   20   3HZ   LYS   3          3HZ       LYS   3   8.731  14.514   5.094
   21    H    GLN   4           HN       GLN   4   1.173  13.894   1.429
   22    HA   GLN   4           HA       GLN   4   0.374  11.268   2.030
   23   1HB   GLN   4          2HB       GLN   4  -0.862  12.815   0.709
   24   2HB   GLN   4          3HB       GLN   4   0.388  12.880  -0.545
   25   1HG   GLN   4          2HG       GLN   4  -0.342  10.129  -0.194
   26   2HG   GLN   4          3HG       GLN   4  -1.839  11.053  -0.100
   27   1HE2  GLN   4          2HE2      GLN   4   0.349  11.264  -3.627
   28   2HE2  GLN   4          1HE2      GLN   4   1.162  11.153  -2.074
   29    H    ASP   5           HN       ASP   5   2.528  10.570   2.578
   30    HA   ASP   5           HA       ASP   5   3.866   9.146   0.341
   31   1HB   ASP   5          2HB       ASP   5   5.516   9.853   1.969
   32   2HB   ASP   5          3HB       ASP   5   4.490   9.293   3.316
   33    H    TYR   6           HN       TYR   6   3.286   7.011   0.054
   34    HA   TYR   6           HA       TYR   6   1.499   5.701   2.075
   35   1HB   TYR   6          2HB       TYR   6   1.414   5.350  -0.918
   36   2HB   TYR   6          3HB       TYR   6   0.465   4.480   0.280
   37    HD1  TYR   6           HD2      TYR   6  -1.016   6.003   1.917
   38    HD2  TYR   6           HD1      TYR   6   0.444   7.198  -1.946
   39    HE1  TYR   6           HE2      TYR   6  -2.922   7.564   1.683
   40    HE2  TYR   6           HE1      TYR   6  -1.548   8.614  -2.257
   41    HH   TYR   6           HH       TYR   6  -3.721   9.392   0.378
   42    H    TYR   7           HN       TYR   7   4.630   5.744   0.810
   43    HA   TYR   7           HA       TYR   7   5.009   2.927   0.315
   44   1HB   TYR   7          2HB       TYR   7   6.920   5.112   1.166
   45   2HB   TYR   7          3HB       TYR   7   7.385   3.488   0.658
   46    HD1  TYR   7           HD2      TYR   7   6.428   2.761  -1.708
   47    HD2  TYR   7           HD1      TYR   7   7.428   6.748  -0.488
   48    HE1  TYR   7           HE2      TYR   7   6.784   3.400  -4.083
   49    HE2  TYR   7           HE1      TYR   7   7.952   7.346  -2.815
   50    HH   TYR   7           HH       TYR   7   8.305   6.508  -4.955
   51    H    GLU   8           HN       GLU   8   5.460   5.083   3.274
   52    HA   GLU   8           HA       GLU   8   6.603   2.877   4.683
   53   1HB   GLU   8          2HB       GLU   8   6.490   5.694   4.924
   54   2HB   GLU   8          3HB       GLU   8   5.612   5.086   6.338
   55   1HG   GLU   8          2HG       GLU   8   7.533   3.557   6.702
   56   2HG   GLU   8          3HG       GLU   8   8.370   4.268   5.315
   57    H    ILE   9           HN       ILE   9   3.380   4.299   4.373
   58    HA   ILE   9           HA       ILE   9   1.988   2.734   6.201
   59    HB   ILE   9           HB       ILE   9   1.316   3.965   3.535
   60   1HG1  ILE   9          2HG1      ILE   9   0.282   4.476   6.356
   61   2HG1  ILE   9          3HG1      ILE   9   1.680   5.310   5.658
   62   1HG2  ILE   9          3HG2      ILE   9  -0.645   2.374   5.225
   63   2HG2  ILE   9          1HG2      ILE   9  -1.049   3.373   3.814
   64   3HG2  ILE   9          2HG2      ILE   9  -0.084   1.940   3.599
   65   1HD1  ILE   9          2HD1      ILE   9  -1.112   5.380   4.501
   66   2HD1  ILE   9          3HD1      ILE   9  -0.358   6.657   5.462
   67   3HD1  ILE   9          1HD1      ILE   9   0.306   6.234   3.873
   68    H    LEU  10           HN       LEU  10   2.980   1.966   2.726
   69    HA   LEU  10           HA       LEU  10   1.836  -0.611   2.951
   70   1HB   LEU  10          2HB       LEU  10   2.226   0.886   0.909
   71   2HB   LEU  10          3HB       LEU  10   3.891   0.356   0.939
   72    HG   LEU  10           HG       LEU  10   2.325  -1.994   1.256
   73   1HD1  LEU  10          3HD1      LEU  10   0.387  -0.771   0.714
   74   2HD1  LEU  10          1HD1      LEU  10   1.099  -0.234  -0.839
   75   3HD1  LEU  10          2HD1      LEU  10   0.723  -1.955  -0.559
   76   1HD2  LEU  10          2HD2      LEU  10   3.535  -0.780  -1.235
   77   2HD2  LEU  10          3HD2      LEU  10   4.348  -1.833  -0.064
   78   3HD2  LEU  10          1HD2      LEU  10   3.044  -2.492  -1.085
   79    H    GLY  11           HN       GLY  11   4.969   0.688   3.902
   80   1HA   GLY  11          1HA       GLY  11   6.055  -0.298   5.765
   81   2HA   GLY  11          2HA       GLY  11   5.299  -1.859   5.412
   82    H    VAL  12           HN       VAL  12   7.037   0.448   3.356
   83    HA   VAL  12           HA       VAL  12   9.217  -1.400   2.676
   84    HB   VAL  12           HB       VAL  12   7.495  -2.206   1.256
   85   1HG1  VAL  12          2HG1      VAL  12   6.744   0.702   0.728
   86   2HG1  VAL  12          3HG1      VAL  12   6.161  -0.655  -0.236
   87   3HG1  VAL  12          1HG1      VAL  12   5.761  -0.585   1.481
   88   1HG2  VAL  12          2HG2      VAL  12   9.583  -1.582  -0.025
   89   2HG2  VAL  12          3HG2      VAL  12   8.083  -1.631  -0.981
   90   3HG2  VAL  12          1HG2      VAL  12   8.728  -0.065  -0.428
   91    H    SER  13           HN       SER  13  10.794  -0.216   1.290
   92    HA   SER  13           HA       SER  13  11.361   2.224   2.555
   93   1HB   SER  13          2HB       SER  13  13.005   0.647   1.431
   94   2HB   SER  13          3HB       SER  13  12.531   1.366  -0.120
   95    HG   SER  13           HG       SER  13  13.313   2.996   2.073
   96    H    LYS  14           HN       LYS  14  11.389   4.393   1.819
   97    HA   LYS  14           HA       LYS  14   8.991   5.053   0.432
   98   1HB   LYS  14          2HB       LYS  14  11.124   6.778   1.628
   99   2HB   LYS  14          3HB       LYS  14   9.620   7.413   0.936
  100   1HG   LYS  14          2HG       LYS  14   8.230   6.435   2.572
  101   2HG   LYS  14          3HG       LYS  14   9.475   5.292   3.090
  102   1HD   LYS  14          2HD       LYS  14   9.302   6.980   4.768
  103   2HD   LYS  14          3HD       LYS  14  10.856   7.134   3.933
  104   1HE   LYS  14          2HE       LYS  14   9.873   9.036   2.574
  105   2HE   LYS  14          3HE       LYS  14   8.389   8.900   3.540
  106   1HZ   LYS  14          1HZ       LYS  14   9.758   9.378   5.498
  107   2HZ   LYS  14          2HZ       LYS  14  11.099   9.477   4.556
  108   3HZ   LYS  14          3HZ       LYS  14   9.894  10.598   4.401
  109    H    THR  15           HN       THR  15  10.534   3.779  -1.459
  110    HA   THR  15           HA       THR  15  10.218   5.642  -3.572
  111    HB   THR  15           HB       THR  15  12.248   6.560  -2.884
  112    HG1  THR  15          1HG       THR  15  11.505   6.652  -5.022
  113   1HG2  THR  15          3HG2      THR  15  13.048   4.294  -2.179
  114   2HG2  THR  15          1HG2      THR  15  13.346   3.985  -3.916
  115   3HG2  THR  15          2HG2      THR  15  14.159   5.374  -3.095
  116    H    ALA  16           HN       ALA  16   9.321   2.896  -2.612
  117    HA   ALA  16           HA       ALA  16  10.715   0.956  -4.126
  118   1HB   ALA  16          1HB       ALA  16   8.040   0.899  -2.755
  119   2HB   ALA  16          2HB       ALA  16   8.717  -0.496  -3.634
  120   3HB   ALA  16          3HB       ALA  16   9.628   0.212  -2.293
  121    H    GLU  17           HN       GLU  17  10.508   0.144  -6.112
  122    HA   GLU  17           HA       GLU  17   8.870   1.342  -8.130
  123   1HB   GLU  17          2HB       GLU  17  10.638   0.535  -9.164
  124   2HB   GLU  17          3HB       GLU  17  11.109  -0.539  -7.890
  125   1HG   GLU  17          2HG       GLU  17   9.660  -2.280  -8.599
  126   2HG   GLU  17          3HG       GLU  17   8.973  -1.268  -9.895
  127    H    GLU  18           HN       GLU  18   7.065   0.326  -9.123
  128    HA   GLU  18           HA       GLU  18   5.132  -0.691  -7.445
  129   1HB   GLU  18          2HB       GLU  18   4.832   0.288  -9.710
  130   2HB   GLU  18          3HB       GLU  18   5.358  -1.221 -10.457
  131   1HG   GLU  18          2HG       GLU  18   3.106  -1.365  -8.440
  132   2HG   GLU  18          3HG       GLU  18   2.787  -0.602  -9.996
  133    H    ARG  19           HN       ARG  19   7.434  -2.440  -9.507
  134    HA   ARG  19           HA       ARG  19   6.582  -5.020  -9.210
  135   1HB   ARG  19          2HB       ARG  19   8.771  -3.860 -10.320
  136   2HB   ARG  19          3HB       ARG  19   9.571  -4.558  -8.915
  137   1HG   ARG  19          2HG       ARG  19   9.739  -5.922 -10.969
  138   2HG   ARG  19          3HG       ARG  19   8.942  -6.806  -9.654
  139   1HD   ARG  19          2HD       ARG  19   6.855  -6.643 -10.556
  140   2HD   ARG  19          3HD       ARG  19   7.189  -5.168 -11.467
  141    HE   ARG  19           HE       ARG  19   7.106  -7.773 -12.460
  142   1HH1  ARG  19          2HH2      ARG  19   9.172  -4.841 -12.894
  143   2HH1  ARG  19          1HH2      ARG  19   9.555  -5.324 -14.515
  144   1HH2  ARG  19          2HH1      ARG  19   7.513  -8.082 -14.746
  145   2HH2  ARG  19          1HH1      ARG  19   8.634  -6.971 -15.512
  146    H    GLU  20           HN       GLU  20   8.478  -3.127  -6.868
  147    HA   GLU  20           HA       GLU  20   8.657  -5.434  -5.161
  148   1HB   GLU  20          2HB       GLU  20  10.546  -3.859  -5.192
  149   2HB   GLU  20          3HB       GLU  20   9.490  -2.522  -4.700
  150   1HG   GLU  20          2HG       GLU  20   9.112  -3.576  -2.520
  151   2HG   GLU  20          3HG       GLU  20  10.000  -5.012  -3.037
  152    H    ILE  21           HN       ILE  21   6.768  -2.440  -5.400
  153    HA   ILE  21           HA       ILE  21   5.439  -2.444  -2.933
  154    HB   ILE  21           HB       ILE  21   4.504  -1.790  -5.744
  155   1HG1  ILE  21          2HG1      ILE  21   6.314  -0.355  -4.728
  156   2HG1  ILE  21          3HG1      ILE  21   4.863   0.485  -5.273
  157   1HG2  ILE  21          2HG2      ILE  21   2.852  -1.353  -3.292
  158   2HG2  ILE  21          3HG2      ILE  21   2.636  -0.494  -4.838
  159   3HG2  ILE  21          1HG2      ILE  21   2.451  -2.241  -4.765
  160   1HD1  ILE  21          1HD1      ILE  21   4.025   0.553  -2.946
  161   2HD1  ILE  21          2HD1      ILE  21   5.514  -0.244  -2.389
  162   3HD1  ILE  21          3HD1      ILE  21   5.581   1.354  -3.148
  163    H    ARG  22           HN       ARG  22   4.706  -4.251  -5.929
  164    HA   ARG  22           HA       ARG  22   2.348  -5.522  -5.120
  165   1HB   ARG  22          2HB       ARG  22   4.236  -5.785  -7.298
  166   2HB   ARG  22          3HB       ARG  22   3.973  -7.390  -6.624
  167   1HG   ARG  22          2HG       ARG  22   2.401  -7.158  -8.345
  168   2HG   ARG  22          3HG       ARG  22   1.474  -7.023  -6.847
  169   1HD   ARG  22          2HD       ARG  22   1.499  -4.534  -7.065
  170   2HD   ARG  22          3HD       ARG  22   2.534  -4.642  -8.471
  171    HE   ARG  22           HE       ARG  22  -0.350  -5.018  -8.334
  172   1HH1  ARG  22          2HH2      ARG  22   2.497  -5.837 -10.320
  173   2HH1  ARG  22          1HH2      ARG  22   1.606  -5.546 -11.801
  174   1HH2  ARG  22          2HH1      ARG  22  -1.372  -4.488 -10.382
  175   2HH2  ARG  22          1HH1      ARG  22  -0.453  -4.865 -11.830
  176    H    LYS  23           HN       LYS  23   5.767  -6.552  -4.487
  177    HA   LYS  23           HA       LYS  23   5.047  -8.914  -3.189
  178   1HB   LYS  23          2HB       LYS  23   7.573  -7.295  -3.316
  179   2HB   LYS  23          3HB       LYS  23   7.381  -8.473  -2.029
  180   1HG   LYS  23          2HG       LYS  23   8.521  -9.480  -3.876
  181   2HG   LYS  23          3HG       LYS  23   6.973 -10.286  -3.601
  182   1HD   LYS  23          2HD       LYS  23   5.953  -9.068  -5.499
  183   2HD   LYS  23          3HD       LYS  23   7.399  -8.051  -5.600
  184   1HE   LYS  23          2HE       LYS  23   8.664 -10.338  -6.047
  185   2HE   LYS  23          3HE       LYS  23   7.035 -10.978  -6.366
  186   1HZ   LYS  23          2HZ       LYS  23   6.886  -9.053  -8.019
  187   2HZ   LYS  23          3HZ       LYS  23   8.500  -8.843  -7.758
  188   3HZ   LYS  23          1HZ       LYS  23   7.974 -10.241  -8.400
  189    H    ALA  24           HN       ALA  24   5.950  -5.623  -2.011
  190    HA   ALA  24           HA       ALA  24   5.935  -6.106   0.681
  191   1HB   ALA  24          2HB       ALA  24   5.200  -3.640  -0.864
  192   2HB   ALA  24          3HB       ALA  24   5.451  -3.660   0.905
  193   3HB   ALA  24          1HB       ALA  24   6.781  -4.072  -0.199
  194    H    TYR  25           HN       TYR  25   3.158  -5.001  -1.306
  195    HA   TYR  25           HA       TYR  25   1.220  -4.888   0.709
  196   1HB   TYR  25          2HB       TYR  25   0.675  -4.081  -1.457
  197   2HB   TYR  25          3HB       TYR  25   1.136  -5.579  -2.243
  198    HD1  TYR  25           HD2      TYR  25  -1.589  -3.894  -0.344
  199    HD2  TYR  25           HD1      TYR  25  -0.401  -7.362  -2.577
  200    HE1  TYR  25           HE2      TYR  25  -3.889  -4.771  -0.201
  201    HE2  TYR  25           HE1      TYR  25  -2.750  -8.102  -2.682
  202    HH   TYR  25           HH       TYR  25  -5.333  -6.387  -0.891
  203    H    LYS  26           HN       LYS  26   2.217  -7.827  -1.181
  204    HA   LYS  26           HA       LYS  26   0.339  -9.399   0.151
  205   1HB   LYS  26          2HB       LYS  26   2.793 -10.164  -1.426
  206   2HB   LYS  26          3HB       LYS  26   1.718 -11.385  -0.751
  207   1HG   LYS  26          2HG       LYS  26   0.702  -9.204  -2.607
  208   2HG   LYS  26          3HG       LYS  26   1.427 -10.676  -3.201
  209   1HD   LYS  26          2HD       LYS  26  -1.024 -10.737  -3.234
  210   2HD   LYS  26          3HD       LYS  26  -0.259 -12.082  -2.378
  211   1HE   LYS  26          2HE       LYS  26  -0.900 -11.174  -0.214
  212   2HE   LYS  26          3HE       LYS  26  -1.493  -9.662  -0.956
  213   1HZ   LYS  26          2HZ       LYS  26  -2.726 -12.272  -1.504
  214   2HZ   LYS  26          3HZ       LYS  26  -3.201 -11.268  -0.309
  215   3HZ   LYS  26          1HZ       LYS  26  -3.329 -10.755  -1.822
  216    H    ARG  27           HN       ARG  27   3.840  -8.973   0.798
  217    HA   ARG  27           HA       ARG  27   3.773 -10.857   2.942
  218   1HB   ARG  27          2HB       ARG  27   5.948  -9.985   3.700
  219   2HB   ARG  27          3HB       ARG  27   5.824 -10.537   2.037
  220   1HG   ARG  27          2HG       ARG  27   7.107  -8.695   1.726
  221   2HG   ARG  27          3HG       ARG  27   5.504  -8.071   1.410
  222   1HD   ARG  27          2HD       ARG  27   6.078  -6.400   2.877
  223   2HD   ARG  27          3HD       ARG  27   5.747  -7.588   4.131
  224    HE   ARG  27           HE       ARG  27   8.054  -7.957   4.446
  225   1HH1  ARG  27          2HH2      ARG  27   7.784  -6.187   1.462
  226   2HH1  ARG  27          1HH2      ARG  27   9.201  -5.200   1.686
  227   1HH2  ARG  27          2HH1      ARG  27   9.737  -6.454   4.979
  228   2HH2  ARG  27          1HH1      ARG  27  10.503  -5.585   3.672
  229    H    LEU  28           HN       LEU  28   2.948  -7.347   2.978
  230    HA   LEU  28           HA       LEU  28   2.452  -7.381   5.835
  231   1HB   LEU  28          2HB       LEU  28   1.486  -5.638   3.522
  232   2HB   LEU  28          3HB       LEU  28   0.788  -5.555   5.137
  233    HG   LEU  28           HG       LEU  28   3.177  -5.312   6.029
  234   1HD1  LEU  28          3HD1      LEU  28   3.641  -4.510   3.165
  235   2HD1  LEU  28          1HD1      LEU  28   4.747  -4.183   4.525
  236   3HD1  LEU  28          2HD1      LEU  28   4.381  -5.847   4.068
  237   1HD2  LEU  28          1HD2      LEU  28   1.829  -3.069   4.468
  238   2HD2  LEU  28          2HD2      LEU  28   1.523  -3.513   6.166
  239   3HD2  LEU  28          3HD2      LEU  28   3.087  -2.843   5.702
  240    H    ALA  29           HN       ALA  29   0.441  -8.166   2.966
  241    HA   ALA  29           HA       ALA  29  -2.008  -8.253   4.227
  242   1HB   ALA  29          3HB       ALA  29  -1.575  -8.581   1.718
  243   2HB   ALA  29          1HB       ALA  29  -1.192 -10.268   2.087
  244   3HB   ALA  29          2HB       ALA  29  -2.806  -9.625   2.423
  245    H    MET  30           HN       MET  30   0.443 -10.859   4.104
  246    HA   MET  30           HA       MET  30  -1.275 -12.745   5.431
  247   1HB   MET  30          2HB       MET  30   0.436 -14.324   5.252
  248   2HB   MET  30          3HB       MET  30   0.406 -13.372   3.761
  249   1HG   MET  30          2HG       MET  30   2.684 -13.560   4.246
  250   2HG   MET  30          3HG       MET  30   2.275 -11.961   4.866
  251   1HE   MET  30          1HE       MET  30   4.915 -13.112   5.602
  252   2HE   MET  30          2HE       MET  30   4.258 -11.656   6.400
  253   3HE   MET  30          3HE       MET  30   4.970 -12.961   7.383
  254    H    LYS  31           HN       LYS  31   0.617 -10.144   6.618
  255    HA   LYS  31           HA       LYS  31   1.692 -11.441   8.916
  256   1HB   LYS  31          2HB       LYS  31   2.582  -9.473   7.641
  257   2HB   LYS  31          3HB       LYS  31   1.374  -8.447   8.408
  258   1HG   LYS  31          2HG       LYS  31   2.246  -8.822  10.589
  259   2HG   LYS  31          3HG       LYS  31   3.265 -10.165  10.068
  260   1HD   LYS  31          2HD       LYS  31   3.568  -7.320   9.030
  261   2HD   LYS  31          3HD       LYS  31   4.406  -7.881  10.469
  262   1HE   LYS  31          2HE       LYS  31   4.723  -9.200   7.719
  263   2HE   LYS  31          3HE       LYS  31   5.752  -7.903   8.301
  264   1HZ   LYS  31          1HZ       LYS  31   5.453 -10.430   9.803
  265   2HZ   LYS  31          2HZ       LYS  31   6.600 -10.210   8.678
  266   3HZ   LYS  31          3HZ       LYS  31   6.580  -9.279  10.029
  267    H    TYR  32           HN       TYR  32  -0.952  -9.078   8.502
  268    HA   TYR  32           HA       TYR  32  -1.887  -9.517  11.310
  269   1HB   TYR  32          2HB       TYR  32  -3.414  -7.568  10.744
  270   2HB   TYR  32          3HB       TYR  32  -1.699  -7.244  10.892
  271    HD1  TYR  32           HD1      TYR  32  -4.283  -7.980   8.208
  272    HD2  TYR  32           HD2      TYR  32  -0.587  -6.013   9.271
  273    HE1  TYR  32           HE1      TYR  32  -3.978  -7.279   5.871
  274    HE2  TYR  32           HE2      TYR  32  -0.376  -5.185   6.992
  275    HH   TYR  32           HH       TYR  32  -1.167  -5.342   4.861
  276    H    HIS  33           HN       HIS  33  -1.983 -11.528   9.335
  277    HA   HIS  33           HA       HIS  33  -3.812 -12.065   7.680
  278   1HB   HIS  33          2HB       HIS  33  -2.158 -13.568   9.279
  279   2HB   HIS  33          3HB       HIS  33  -3.692 -14.168   9.812
  280    HD1  HIS  33           HD1      HIS  33  -1.159 -14.539   7.176
  281    HD2  HIS  33           HD2      HIS  33  -5.303 -15.152   7.558
  282    HE1  HIS  33           HE1      HIS  33  -1.874 -15.998   5.188
  283    HA   PRO  34           HA       PRO  34  -7.809 -11.019   9.353
  284   1HB   PRO  34          2HB       PRO  34  -9.436 -12.797   7.878
  285   2HB   PRO  34          3HB       PRO  34  -8.925 -11.156   7.411
  286   1HG   PRO  34          2HG       PRO  34  -7.675 -13.789   6.644
  287   2HG   PRO  34          3HG       PRO  34  -7.953 -12.352   5.618
  288   1HD   PRO  34          2HD       PRO  34  -5.523 -12.854   6.610
  289   2HD   PRO  34          3HD       PRO  34  -6.130 -11.175   6.658
  290    H    ASP  35           HN       ASP  35  -7.344 -14.524   8.889
  291    HA   ASP  35           HA       ASP  35  -7.468 -16.305  10.268
  292   1HB   ASP  35          2HB       ASP  35  -6.067 -14.978  11.747
  293   2HB   ASP  35          3HB       ASP  35  -7.454 -14.221  12.513
  294    H    ARG  36           HN       ARG  36  -9.290 -15.088  12.764
  295    HA   ARG  36           HA       ARG  36 -11.865 -15.999  11.686
  296   1HB   ARG  36          2HB       ARG  36 -12.756 -15.253  13.926
  297   2HB   ARG  36          3HB       ARG  36 -11.476 -16.467  13.939
  298   1HG   ARG  36          2HG       ARG  36  -9.892 -14.293  14.336
  299   2HG   ARG  36          3HG       ARG  36 -11.410 -13.651  14.926
  300   1HD   ARG  36          2HD       ARG  36 -11.610 -15.609  16.471
  301   2HD   ARG  36          3HD       ARG  36 -10.097 -16.267  15.842
  302    HE   ARG  36           HE       ARG  36 -10.456 -14.043  17.727
  303   1HH1  ARG  36          2HH2      ARG  36  -8.194 -15.460  15.343
  304   2HH1  ARG  36          1HH2      ARG  36  -6.845 -14.592  15.985
  305   1HH2  ARG  36          2HH1      ARG  36  -8.634 -13.160  18.703
  306   2HH2  ARG  36          1HH1      ARG  36  -7.026 -13.542  18.081
  307    H    ASN  37           HN       ASN  37 -10.198 -12.973  12.071
  308    HA   ASN  37           HA       ASN  37 -10.814 -10.776  12.209
  309   1HB   ASN  37          2HB       ASN  37 -10.169 -11.007   9.927
  310   2HB   ASN  37          3HB       ASN  37 -11.701 -11.784   9.501
  311   1HD2  ASN  37          2HD2      ASN  37 -11.554  -7.671  10.004
  312   2HD2  ASN  37          1HD2      ASN  37 -10.386  -8.702  10.794
  313    H    GLN  38           HN       GLN  38 -12.346 -11.048  13.992
  314    HA   GLN  38           HA       GLN  38 -15.184 -11.156  13.401
  315   1HB   GLN  38          2HB       GLN  38 -15.593 -10.769  15.641
  316   2HB   GLN  38          3HB       GLN  38 -14.172 -11.798  15.607
  317   1HG   GLN  38          2HG       GLN  38 -14.187  -8.775  16.091
  318   2HG   GLN  38          3HG       GLN  38 -14.156 -10.011  17.343
  319   1HE2  GLN  38          2HE2      GLN  38 -10.726  -8.642  16.863
  320   2HE2  GLN  38          1HE2      GLN  38 -12.318  -8.072  17.359
  321    H    GLY  39           HN       GLY  39 -16.362  -8.986  14.608
  322   1HA   GLY  39          1HA       GLY  39 -16.254  -7.194  12.404
  323   2HA   GLY  39          2HA       GLY  39 -17.265  -7.013  13.827
  324    H    ASP  40           HN       ASP  40 -13.697  -7.046  13.950
  325    HA   ASP  40           HA       ASP  40 -13.460  -4.473  15.008
  326   1HB   ASP  40          2HB       ASP  40 -11.743  -6.375  15.080
  327   2HB   ASP  40          3HB       ASP  40 -11.368  -5.980  13.395
  328    H    LYS  41           HN       LYS  41 -12.548  -2.658  13.627
  329    HA   LYS  41           HA       LYS  41 -13.393  -2.810  10.755
  330   1HB   LYS  41          2HB       LYS  41 -14.403  -1.023  12.662
  331   2HB   LYS  41          3HB       LYS  41 -13.121  -0.104  11.900
  332   1HG   LYS  41          2HG       LYS  41 -14.426   0.324  10.159
  333   2HG   LYS  41          3HG       LYS  41 -14.584  -1.367   9.734
  334   1HD   LYS  41          2HD       LYS  41 -16.271   0.130  11.773
  335   2HD   LYS  41          3HD       LYS  41 -16.779  -0.232  10.128
  336   1HE   LYS  41          2HE       LYS  41 -17.062  -2.519  10.540
  337   2HE   LYS  41          3HE       LYS  41 -16.015  -2.526  11.967
  338   1HZ   LYS  41          1HZ       LYS  41 -18.598  -1.097  11.923
  339   2HZ   LYS  41          2HZ       LYS  41 -18.385  -2.620  12.562
  340   3HZ   LYS  41          3HZ       LYS  41 -17.605  -1.327  13.182
  341    H    GLU  42           HN       GLU  42 -10.893  -2.091  13.142
  342    HA   GLU  42           HA       GLU  42  -9.308  -0.402  11.521
  343   1HB   GLU  42          2HB       GLU  42  -8.482  -2.349  13.717
  344   2HB   GLU  42          3HB       GLU  42  -7.486  -1.066  13.037
  345   1HG   GLU  42          2HG       GLU  42  -9.532   0.504  13.779
  346   2HG   GLU  42          3HG       GLU  42  -9.879  -0.839  14.864
  347    H    ALA  43           HN       ALA  43  -9.145  -3.990  11.981
  348    HA   ALA  43           HA       ALA  43  -6.957  -4.367  10.461
  349   1HB   ALA  43          2HB       ALA  43  -9.400  -6.192  10.717
  350   2HB   ALA  43          3HB       ALA  43  -7.822  -6.699  10.088
  351   3HB   ALA  43          1HB       ALA  43  -7.968  -6.175  11.774
  352    H    GLU  44           HN       GLU  44 -10.345  -4.257   9.315
  353    HA   GLU  44           HA       GLU  44  -9.789  -4.660   6.552
  354   1HB   GLU  44          2HB       GLU  44 -12.077  -4.764   7.373
  355   2HB   GLU  44          3HB       GLU  44 -12.001  -3.125   8.031
  356   1HG   GLU  44          2HG       GLU  44 -11.830  -2.193   5.745
  357   2HG   GLU  44          3HG       GLU  44 -11.931  -3.827   5.068
  358    H    ALA  45           HN       ALA  45 -10.056  -1.627   8.490
  359    HA   ALA  45           HA       ALA  45  -9.681  -0.080   6.206
  360   1HB   ALA  45          1HB       ALA  45  -9.186   0.617   9.150
  361   2HB   ALA  45          2HB       ALA  45  -9.302   1.792   7.830
  362   3HB   ALA  45          3HB       ALA  45 -10.720   0.814   8.264
  363    H    LYS  46           HN       LYS  46  -7.386  -1.438   8.468
  364    HA   LYS  46           HA       LYS  46  -5.057   0.002   7.532
  365   1HB   LYS  46          2HB       LYS  46  -5.222  -1.214   9.695
  366   2HB   LYS  46          3HB       LYS  46  -5.218  -2.763   8.832
  367   1HG   LYS  46          2HG       LYS  46  -2.983  -1.959   7.771
  368   2HG   LYS  46          3HG       LYS  46  -3.016  -0.615   8.900
  369   1HD   LYS  46          2HD       LYS  46  -2.894  -3.611   9.518
  370   2HD   LYS  46          3HD       LYS  46  -1.593  -2.442   9.750
  371   1HE   LYS  46          2HE       LYS  46  -4.256  -2.509  11.278
  372   2HE   LYS  46          3HE       LYS  46  -2.700  -3.062  11.884
  373   1HZ   LYS  46          2HZ       LYS  46  -3.048  -0.226  11.080
  374   2HZ   LYS  46          3HZ       LYS  46  -3.474  -0.764  12.519
  375   3HZ   LYS  46          1HZ       LYS  46  -1.897  -0.901  11.992
  376    H    PHE  47           HN       PHE  47  -6.669  -3.127   6.688
  377    HA   PHE  47           HA       PHE  47  -4.791  -3.792   4.637
  378   1HB   PHE  47          2HB       PHE  47  -6.322  -5.421   5.629
  379   2HB   PHE  47          3HB       PHE  47  -7.709  -4.540   5.018
  380    HD1  PHE  47          1HD       PHE  47  -4.492  -5.653   3.356
  381    HD2  PHE  47          2HD       PHE  47  -8.806  -5.838   3.438
  382    HE1  PHE  47          1HE       PHE  47  -4.457  -7.155   1.403
  383    HE2  PHE  47          2HE       PHE  47  -8.765  -7.292   1.422
  384    HZ   PHE  47           HZ       PHE  47  -6.613  -8.028   0.456
  385    H    LYS  48           HN       LYS  48  -7.644  -1.649   4.723
  386    HA   LYS  48           HA       LYS  48  -7.873  -1.253   1.930
  387   1HB   LYS  48          2HB       LYS  48  -8.712   0.588   4.180
  388   2HB   LYS  48          3HB       LYS  48  -8.994   0.872   2.465
  389   1HG   LYS  48          2HG       LYS  48 -10.193  -1.168   2.198
  390   2HG   LYS  48          3HG       LYS  48  -9.845  -1.667   3.850
  391   1HD   LYS  48          2HD       LYS  48 -11.313   0.000   4.762
  392   2HD   LYS  48          3HD       LYS  48 -11.210   0.978   3.285
  393   1HE   LYS  48          2HE       LYS  48 -12.559  -0.513   2.041
  394   2HE   LYS  48          3HE       LYS  48 -12.514  -1.778   3.290
  395   1HZ   LYS  48          1HZ       LYS  48 -13.693   0.862   3.826
  396   2HZ   LYS  48          2HZ       LYS  48 -14.561  -0.389   3.161
  397   3HZ   LYS  48          3HZ       LYS  48 -13.904  -0.572   4.641
  398    H    GLU  49           HN       GLU  49  -6.110   0.613   4.503
  399    HA   GLU  49           HA       GLU  49  -5.011   2.585   2.849
  400   1HB   GLU  49          2HB       GLU  49  -3.883   1.205   5.347
  401   2HB   GLU  49          3HB       GLU  49  -3.111   2.547   4.521
  402   1HG   GLU  49          2HG       GLU  49  -5.127   3.954   4.893
  403   2HG   GLU  49          3HG       GLU  49  -5.829   2.641   5.850
  404    H    ILE  50           HN       ILE  50  -3.675  -0.605   3.757
  405    HA   ILE  50           HA       ILE  50  -1.292  -0.248   2.225
  406    HB   ILE  50           HB       ILE  50  -2.620  -2.811   3.140
  407   1HG1  ILE  50          2HG1      ILE  50  -0.348  -1.278   4.509
  408   2HG1  ILE  50          3HG1      ILE  50  -2.020  -0.996   4.953
  409   1HG2  ILE  50          2HG2      ILE  50  -0.731  -3.044   1.401
  410   2HG2  ILE  50          3HG2      ILE  50   0.345  -2.320   2.585
  411   3HG2  ILE  50          1HG2      ILE  50  -0.439  -3.867   2.925
  412   1HD1  ILE  50          3HD1      ILE  50  -2.316  -3.420   5.437
  413   2HD1  ILE  50          1HD1      ILE  50  -0.568  -3.626   5.135
  414   3HD1  ILE  50          2HD1      ILE  50  -1.116  -2.626   6.475
  415    H    LYS  51           HN       LYS  51  -4.494  -1.676   1.460
  416    HA   LYS  51           HA       LYS  51  -3.834  -2.628  -1.123
  417   1HB   LYS  51          2HB       LYS  51  -5.849  -3.286   0.124
  418   2HB   LYS  51          3HB       LYS  51  -6.498  -1.646  -0.040
  419   1HG   LYS  51          2HG       LYS  51  -6.471  -1.903  -2.494
  420   2HG   LYS  51          3HG       LYS  51  -5.878  -3.573  -2.318
  421   1HD   LYS  51          2HD       LYS  51  -7.987  -4.001  -0.883
  422   2HD   LYS  51          3HD       LYS  51  -8.532  -2.387  -1.350
  423   1HE   LYS  51          2HE       LYS  51  -8.061  -4.793  -3.182
  424   2HE   LYS  51          3HE       LYS  51  -9.585  -3.973  -2.811
  425   1HZ   LYS  51          2HZ       LYS  51  -8.676  -2.000  -3.948
  426   2HZ   LYS  51          3HZ       LYS  51  -7.340  -2.841  -4.367
  427   3HZ   LYS  51          1HZ       LYS  51  -8.792  -3.312  -4.949
  428    H    GLU  52           HN       GLU  52  -5.124   0.572  -0.097
  429    HA   GLU  52           HA       GLU  52  -5.354   1.543  -2.800
  430   1HB   GLU  52          2HB       GLU  52  -6.671   2.418  -0.830
  431   2HB   GLU  52          3HB       GLU  52  -5.194   3.144  -0.198
  432   1HG   GLU  52          2HG       GLU  52  -5.057   4.644  -2.092
  433   2HG   GLU  52          3HG       GLU  52  -6.296   3.746  -2.980
  434    H    ALA  53           HN       ALA  53  -2.953   1.892  -0.170
  435    HA   ALA  53           HA       ALA  53  -1.025   3.514  -1.379
  436   1HB   ALA  53          2HB       ALA  53  -0.666   1.030   0.347
  437   2HB   ALA  53          3HB       ALA  53   0.644   2.132  -0.071
  438   3HB   ALA  53          1HB       ALA  53  -0.716   2.682   0.928
  439    H    TYR  54           HN       TYR  54  -1.335  -0.084  -1.617
  440    HA   TYR  54           HA       TYR  54   0.717  -0.304  -3.539
  441   1HB   TYR  54          2HB       TYR  54   0.432  -2.404  -2.999
  442   2HB   TYR  54          3HB       TYR  54  -1.131  -2.092  -2.269
  443    HD1  TYR  54           HD2      TYR  54   0.271  -2.374  -5.777
  444    HD2  TYR  54           HD1      TYR  54  -2.855  -3.457  -3.004
  445    HE1  TYR  54           HE2      TYR  54  -1.033  -3.361  -7.592
  446    HE2  TYR  54           HE1      TYR  54  -3.890  -4.868  -4.735
  447    HH   TYR  54           HH       TYR  54  -2.909  -4.705  -8.112
  448    H    GLU  55           HN       GLU  55  -2.754   0.282  -3.980
  449    HA   GLU  55           HA       GLU  55  -2.749   0.114  -6.841
  450   1HB   GLU  55          2HB       GLU  55  -4.834  -0.104  -6.269
  451   2HB   GLU  55          3HB       GLU  55  -4.615   0.524  -4.666
  452   1HG   GLU  55          2HG       GLU  55  -5.162   2.690  -5.214
  453   2HG   GLU  55          3HG       GLU  55  -4.945   2.424  -6.948
  454    H    VAL  56           HN       VAL  56  -1.957   2.678  -4.622
  455    HA   VAL  56           HA       VAL  56  -2.034   4.877  -6.529
  456    HB   VAL  56           HB       VAL  56  -1.178   4.474  -3.660
  457   1HG1  VAL  56          1HG1      VAL  56  -0.388   6.720  -5.496
  458   2HG1  VAL  56          2HG1      VAL  56  -0.841   7.067  -3.827
  459   3HG1  VAL  56          3HG1      VAL  56   0.499   5.970  -4.170
  460   1HG2  VAL  56          1HG2      VAL  56  -3.589   4.744  -4.291
  461   2HG2  VAL  56          2HG2      VAL  56  -2.979   6.063  -3.284
  462   3HG2  VAL  56          3HG2      VAL  56  -3.176   6.280  -5.047
  463    H    LEU  57           HN       LEU  57   0.466   2.818  -5.012
  464    HA   LEU  57           HA       LEU  57   2.563   4.544  -5.877
  465   1HB   LEU  57          2HB       LEU  57   2.552   1.890  -4.479
  466   2HB   LEU  57          3HB       LEU  57   4.017   2.861  -4.686
  467    HG   LEU  57           HG       LEU  57   1.532   4.006  -3.325
  468   1HD1  LEU  57          3HD1      LEU  57   2.322   1.930  -2.234
  469   2HD1  LEU  57          1HD1      LEU  57   3.932   2.678  -2.066
  470   3HD1  LEU  57          2HD1      LEU  57   2.517   3.373  -1.241
  471   1HD2  LEU  57          1HD2      LEU  57   4.407   4.894  -3.625
  472   2HD2  LEU  57          2HD2      LEU  57   2.927   5.770  -4.025
  473   3HD2  LEU  57          3HD2      LEU  57   3.345   5.500  -2.340
  474    H    THR  58           HN       THR  58   1.354   3.716  -8.183
  475    HA   THR  58           HA       THR  58   2.936   1.474  -9.255
  476    HB   THR  58           HB       THR  58   0.842   1.171 -10.516
  477    HG1  THR  58          1HG       THR  58  -0.933   2.471  -9.879
  478   1HG2  THR  58          1HG2      THR  58   1.262   0.263  -8.100
  479   2HG2  THR  58          2HG2      THR  58   0.290   1.621  -7.545
  480   3HG2  THR  58          3HG2      THR  58  -0.450   0.395  -8.556
  481    H    ASP  59           HN       ASP  59   3.380   4.576  -9.352
  482    HA   ASP  59           HA       ASP  59   3.738   6.301 -10.736
  483   1HB   ASP  59          2HB       ASP  59   5.547   4.975 -11.785
  484   2HB   ASP  59          3HB       ASP  59   4.342   4.202 -12.787
  485    H    SER  60           HN       SER  60   1.587   6.988 -10.578
  486    HA   SER  60           HA       SER  60   0.030   6.730 -13.073
  487   1HB   SER  60          2HB       SER  60  -2.005   6.033 -11.763
  488   2HB   SER  60          3HB       SER  60  -0.761   4.795 -11.871
  489    HG   SER  60           HG       SER  60  -0.556   4.830  -9.789
  490    H    GLN  61           HN       GLN  61  -1.701   7.715 -10.284
  491    HA   GLN  61           HA       GLN  61  -1.408  10.565 -11.122
  492   1HB   GLN  61          2HB       GLN  61  -3.644   9.894 -11.189
  493   2HB   GLN  61          3HB       GLN  61  -3.579   9.014  -9.656
  494   1HG   GLN  61          2HG       GLN  61  -3.558  10.954  -8.357
  495   2HG   GLN  61          3HG       GLN  61  -2.906  11.942  -9.671
  496   1HE2  GLN  61          2HE2      GLN  61  -6.967  11.542  -9.350
  497   2HE2  GLN  61          1HE2      GLN  61  -5.924  10.595  -8.303
  498    H    LYS  62           HN       LYS  62  -2.065   8.890  -8.047
  499    HA   LYS  62           HA       LYS  62  -1.134  11.060  -6.485
  500   1HB   LYS  62          2HB       LYS  62  -1.840   8.183  -5.942
  501   2HB   LYS  62          3HB       LYS  62  -1.116   9.191  -4.655
  502   1HG   LYS  62          2HG       LYS  62  -2.918  10.782  -4.848
  503   2HG   LYS  62          3HG       LYS  62  -3.614   9.926  -6.228
  504   1HD   LYS  62          2HD       LYS  62  -4.358   8.130  -4.999
  505   2HD   LYS  62          3HD       LYS  62  -3.216   8.353  -3.682
  506   1HE   LYS  62          2HE       LYS  62  -5.629  10.154  -4.239
  507   2HE   LYS  62          3HE       LYS  62  -5.577   8.851  -3.046
  508   1HZ   LYS  62          1HZ       LYS  62  -3.857  11.258  -2.958
  509   2HZ   LYS  62          2HZ       LYS  62  -5.283  11.069  -2.175
  510   3HZ   LYS  62          3HZ       LYS  62  -4.004  10.089  -1.804
  511    H    ARG  63           HN       ARG  63   0.454   8.038  -7.437
  512    HA   ARG  63           HA       ARG  63   3.024   8.905  -6.190
  513   1HB   ARG  63          2HB       ARG  63   2.209   6.630  -6.014
  514   2HB   ARG  63          3HB       ARG  63   2.571   6.349  -7.721
  515   1HG   ARG  63          2HG       ARG  63   4.648   7.375  -5.679
  516   2HG   ARG  63          3HG       ARG  63   4.335   5.674  -5.914
  517   1HD   ARG  63          2HD       ARG  63   4.750   6.323  -8.477
  518   2HD   ARG  63          3HD       ARG  63   5.797   7.523  -7.702
  519    HE   ARG  63           HE       ARG  63   6.666   5.400  -6.375
  520   1HH1  ARG  63          2HH2      ARG  63   6.217   5.739  -9.872
  521   2HH1  ARG  63          1HH2      ARG  63   6.831   4.143 -10.223
  522   1HH2  ARG  63          2HH1      ARG  63   7.464   3.189  -6.924
  523   2HH2  ARG  63          1HH1      ARG  63   7.495   2.779  -8.628
  524    H    ALA  64           HN       ALA  64   2.560  10.777  -7.587
  525    HA   ALA  64           HA       ALA  64   4.618  11.068  -9.482
  526   1HB   ALA  64          2HB       ALA  64   1.777  11.007 -10.622
  527   2HB   ALA  64          3HB       ALA  64   3.175  11.731 -11.428
  528   3HB   ALA  64          1HB       ALA  64   3.140   9.987 -11.118
  529    H    ALA  65           HN       ALA  65   1.322  12.221  -8.615
  530    HA   ALA  65           HA       ALA  65   1.829  14.942  -8.406
  531   1HB   ALA  65          2HB       ALA  65  -0.403  13.908  -8.208
  532   2HB   ALA  65          3HB       ALA  65   0.057  13.179  -6.657
  533   3HB   ALA  65          1HB       ALA  65  -0.053  14.941  -6.802
  534    H    TYR  66           HN       TYR  66   2.190  12.339  -5.962
  535    HA   TYR  66           HA       TYR  66   3.188  13.754  -3.794
  536   1HB   TYR  66          2HB       TYR  66   2.640  11.392  -3.694
  537   2HB   TYR  66          3HB       TYR  66   3.897  10.995  -4.853
  538    HD1  TYR  66           HD2      TYR  66   3.609  12.828  -1.552
  539    HD2  TYR  66           HD1      TYR  66   5.844  10.042  -3.972
  540    HE1  TYR  66           HE2      TYR  66   5.358  12.698   0.201
  541    HE2  TYR  66           HE1      TYR  66   7.573   9.912  -2.212
  542    HH   TYR  66           HH       TYR  66   8.480  11.397  -0.569
  543    H    ASP  67           HN       ASP  67   5.019  12.342  -6.514
  544    HA   ASP  67           HA       ASP  67   7.602  13.051  -5.496
  545   1HB   ASP  67          2HB       ASP  67   7.332  11.197  -7.043
  546   2HB   ASP  67          3HB       ASP  67   6.623  12.271  -8.267
  547    H    GLN  68           HN       GLN  68   5.410  14.526  -7.899
  548    HA   GLN  68           HA       GLN  68   7.053  16.629  -8.833
  549   1HB   GLN  68          2HB       GLN  68   5.001  15.761  -9.898
  550   2HB   GLN  68          3HB       GLN  68   4.038  16.232  -8.499
  551   1HG   GLN  68          2HG       GLN  68   4.829  18.661  -9.063
  552   2HG   GLN  68          3HG       GLN  68   5.296  17.949 -10.616
  553   1HE2  GLN  68          2HE2      GLN  68   1.864  17.916 -11.707
  554   2HE2  GLN  68          1HE2      GLN  68   3.571  17.808 -12.158
  555    H    TYR  69           HN       TYR  69   4.343  16.677  -6.504
  556    HA   TYR  69           HA       TYR  69   5.769  18.026  -4.484
  557   1HB   TYR  69          2HB       TYR  69   5.172  19.871  -6.371
  558   2HB   TYR  69          3HB       TYR  69   3.678  19.955  -5.478
  559    HD1  TYR  69           HD2      TYR  69   4.769  19.525  -2.619
  560    HD2  TYR  69           HD1      TYR  69   6.112  21.955  -5.912
  561    HE1  TYR  69           HE2      TYR  69   6.366  20.668  -1.123
  562    HE2  TYR  69           HE1      TYR  69   7.561  23.238  -4.342
  563    HH   TYR  69           HH       TYR  69   8.951  22.619  -2.521
  564    H    GLY  70           HN       GLY  70   4.831  16.135  -3.540
  565   1HA   GLY  70          1HA       GLY  70   2.137  15.657  -2.972
  566   2HA   GLY  70          2HA       GLY  70   3.469  15.445  -1.812
  567    H    HIS  71           HN       HIS  71   0.565  16.945  -2.143
  568    HA   HIS  71           HA       HIS  71  -0.556  18.384  -1.033
  569   1HB   HIS  71          2HB       HIS  71   1.815  18.626   0.828
  570   2HB   HIS  71          3HB       HIS  71   0.205  19.319   1.034
  571    HD1  HIS  71           HD1      HIS  71  -1.194  17.914   2.636
  572    HD2  HIS  71           HD2      HIS  71   1.182  15.643   0.009
  573    HE1  HIS  71           HE1      HIS  71  -1.745  15.460   3.059
  574    H    ALA  72           HN       ALA  72   1.217  19.200  -3.319
  575    HA   ALA  72           HA       ALA  72  -0.141  21.695  -3.390
  576   1HB   ALA  72          2HB       ALA  72   2.901  21.824  -3.566
  577   2HB   ALA  72          3HB       ALA  72   1.766  23.137  -3.987
  578   3HB   ALA  72          1HB       ALA  72   1.896  22.592  -2.320
  579    H    ALA  73           HN       ALA  73  -0.738  19.549  -4.682
  580    HA   ALA  73           HA       ALA  73   0.225  19.962  -7.462
  581   1HB   ALA  73          3HB       ALA  73   0.019  17.294  -6.003
  582   2HB   ALA  73          1HB       ALA  73   0.142  17.474  -7.774
  583   3HB   ALA  73          2HB       ALA  73   1.461  18.026  -6.726
  584    H    PHE  74           HN       PHE  74  -2.051  17.577  -6.067
  585    HA   PHE  74           HA       PHE  74  -4.261  18.820  -7.620
  586   1HB   PHE  74          2HB       PHE  74  -3.980  16.148  -6.195
  587   2HB   PHE  74          3HB       PHE  74  -5.459  16.833  -6.850
  588    HD1  PHE  74          2HD       PHE  74  -2.032  15.771  -7.905
  589    HD2  PHE  74          1HD       PHE  74  -6.091  16.609  -9.129
  590    HE1  PHE  74          2HE       PHE  74  -1.552  14.882 -10.173
  591    HE2  PHE  74          1HE       PHE  74  -5.638  15.603 -11.321
  592    HZ   PHE  74           HZ       PHE  74  -3.332  14.810 -11.888
  593    H    GLU  75           HN       GLU  75  -3.674  20.589  -6.024
  594    HA   GLU  75           HA       GLU  75  -5.122  20.292  -3.423
  595   1HB   GLU  75          2HB       GLU  75  -2.552  21.551  -4.277
  596   2HB   GLU  75          3HB       GLU  75  -3.586  22.593  -3.307
  597   1HG   GLU  75          2HG       GLU  75  -2.066  21.370  -1.851
  598   2HG   GLU  75          3HG       GLU  75  -3.759  20.956  -1.558
  599    H    GLN  76           HN       GLN  76  -5.848  21.208  -6.481
  600    HA   GLN  76           HA       GLN  76  -6.861  23.839  -5.864
  601   1HB   GLN  76          2HB       GLN  76  -5.556  23.252  -7.936
  602   2HB   GLN  76          3HB       GLN  76  -6.971  22.382  -8.533
  603   1HG   GLN  76          2HG       GLN  76  -7.265  25.272  -7.610
  604   2HG   GLN  76          3HG       GLN  76  -6.421  24.940  -9.118
  605   1HE2  GLN  76          2HE2      GLN  76 -10.479  24.209  -8.967
  606   2HE2  GLN  76          1HE2      GLN  76  -9.541  24.186  -7.483
   
  No H/Q in entry =         606
  Start of MODEL   20
    1   1H    ALA   2          3HN       ALA   2  -1.785  17.009   4.584
    2   2H    ALA   2          1HN       ALA   2  -1.668  18.361   5.511
    3   3H    ALA   2          2HN       ALA   2  -1.456  18.410   3.868
    4    HA   ALA   2           HA       ALA   2   0.726  18.506   4.757
    5   1HB   ALA   2          2HB       ALA   2  -0.119  16.054   6.376
    6   2HB   ALA   2          3HB       ALA   2   1.536  16.678   6.274
    7   3HB   ALA   2          1HB       ALA   2   0.283  17.664   7.022
    8    H    LYS   3           HN       LYS   3   2.540  16.682   4.250
    9    HA   LYS   3           HA       LYS   3   2.020  15.598   1.633
   10   1HB   LYS   3          2HB       LYS   3   4.036  14.743   3.705
   11   2HB   LYS   3          3HB       LYS   3   3.970  14.164   2.076
   12   1HG   LYS   3          2HG       LYS   3   5.607  15.712   1.811
   13   2HG   LYS   3          3HG       LYS   3   4.174  16.639   1.328
   14   1HD   LYS   3          2HD       LYS   3   4.135  17.676   3.601
   15   2HD   LYS   3          3HD       LYS   3   5.601  16.798   4.041
   16   1HE   LYS   3          2HE       LYS   3   5.377  18.701   1.645
   17   2HE   LYS   3          3HE       LYS   3   5.810  19.231   3.273
   18   1HZ   LYS   3          3HZ       LYS   3   7.741  17.837   3.194
   19   2HZ   LYS   3          1HZ       LYS   3   7.427  17.384   1.635
   20   3HZ   LYS   3          2HZ       LYS   3   7.737  18.943   2.007
   21    H    GLN   4           HN       GLN   4   1.031  13.791   1.101
   22    HA   GLN   4           HA       GLN   4  -0.248  12.098   3.169
   23   1HB   GLN   4          2HB       GLN   4  -1.477  12.716   1.121
   24   2HB   GLN   4          3HB       GLN   4  -0.321  11.784   0.142
   25   1HG   GLN   4          2HG       GLN   4  -0.924   9.742   1.485
   26   2HG   GLN   4          3HG       GLN   4  -2.098  10.709   2.394
   27   1HE2  GLN   4          2HE2      GLN   4  -4.164   8.971  -0.066
   28   2HE2  GLN   4          1HE2      GLN   4  -3.336   8.685   1.434
   29    H    ASP   5           HN       ASP   5   1.111  10.719   4.159
   30    HA   ASP   5           HA       ASP   5   3.445   9.564   2.765
   31   1HB   ASP   5          2HB       ASP   5   3.296  10.084   5.316
   32   2HB   ASP   5          3HB       ASP   5   2.382   8.571   5.422
   33    H    TYR   6           HN       TYR   6   3.530   7.200   2.674
   34    HA   TYR   6           HA       TYR   6   1.313   5.504   2.516
   35   1HB   TYR   6          2HB       TYR   6   1.403   5.336  -0.150
   36   2HB   TYR   6          3HB       TYR   6   0.241   6.271   0.763
   37    HD1  TYR   6           HD1      TYR   6   3.760   6.993  -0.422
   38    HD2  TYR   6           HD2      TYR   6  -0.371   8.196  -0.342
   39    HE1  TYR   6           HE1      TYR   6   4.251   8.773  -2.061
   40    HE2  TYR   6           HE2      TYR   6   0.121   9.971  -1.990
   41    HH   TYR   6           HH       TYR   6   1.648  10.253  -3.839
   42    H    TYR   7           HN       TYR   7   4.509   6.357   1.364
   43    HA   TYR   7           HA       TYR   7   5.388   3.675   0.782
   44   1HB   TYR   7          2HB       TYR   7   7.652   4.650   0.973
   45   2HB   TYR   7          3HB       TYR   7   6.602   5.474  -0.168
   46    HD1  TYR   7           HD2      TYR   7   5.838   7.782   0.229
   47    HD2  TYR   7           HD1      TYR   7   8.373   5.751   3.066
   48    HE1  TYR   7           HE2      TYR   7   5.884   9.815   1.649
   49    HE2  TYR   7           HE1      TYR   7   8.508   7.806   4.411
   50    HH   TYR   7           HH       TYR   7   6.541   9.740   4.740
   51    H    GLU   8           HN       GLU   8   5.279   5.710   3.892
   52    HA   GLU   8           HA       GLU   8   6.751   3.770   5.328
   53   1HB   GLU   8          2HB       GLU   8   6.287   6.368   5.485
   54   2HB   GLU   8          3HB       GLU   8   4.806   5.886   6.313
   55   1HG   GLU   8          2HG       GLU   8   6.408   6.342   7.895
   56   2HG   GLU   8          3HG       GLU   8   6.227   4.552   7.830
   57    H    ILE   9           HN       ILE   9   3.428   4.441   4.502
   58    HA   ILE   9           HA       ILE   9   2.096   3.073   6.512
   59    HB   ILE   9           HB       ILE   9   1.188   3.480   3.649
   60   1HG1  ILE   9          2HG1      ILE   9   0.804   5.013   6.269
   61   2HG1  ILE   9          3HG1      ILE   9   1.674   5.572   4.840
   62   1HG2  ILE   9          1HG2      ILE   9  -0.089   1.633   4.740
   63   2HG2  ILE   9          2HG2      ILE   9  -0.511   2.752   6.049
   64   3HG2  ILE   9          3HG2      ILE   9  -1.066   3.047   4.389
   65   1HD1  ILE   9          1HD1      ILE   9  -0.576   5.428   3.590
   66   2HD1  ILE   9          2HD1      ILE   9  -1.312   5.215   5.195
   67   3HD1  ILE   9          3HD1      ILE   9  -0.395   6.684   4.826
   68    H    LEU  10           HN       LEU  10   3.120   1.755   3.256
   69    HA   LEU  10           HA       LEU  10   2.769  -0.943   4.326
   70   1HB   LEU  10          2HB       LEU  10   4.318  -0.907   1.933
   71   2HB   LEU  10          3HB       LEU  10   2.799  -1.693   2.340
   72    HG   LEU  10           HG       LEU  10   3.094   1.131   1.225
   73   1HD1  LEU  10          1HD1      LEU  10   3.559  -0.761  -0.362
   74   2HD1  LEU  10          2HD1      LEU  10   1.968  -1.438   0.021
   75   3HD1  LEU  10          3HD1      LEU  10   2.092   0.152  -0.760
   76   1HD2  LEU  10          2HD2      LEU  10   0.770  -0.498   2.304
   77   2HD2  LEU  10          3HD2      LEU  10   1.032   1.246   2.404
   78   3HD2  LEU  10          1HD2      LEU  10   0.496   0.513   0.885
   79    H    GLY  11           HN       GLY  11   5.408   1.396   4.006
   80   1HA   GLY  11          1HA       GLY  11   7.312   1.442   5.335
   81   2HA   GLY  11          2HA       GLY  11   6.955  -0.173   5.964
   82    H    VAL  12           HN       VAL  12   7.694   1.592   2.974
   83    HA   VAL  12           HA       VAL  12   9.406  -0.515   1.868
   84    HB   VAL  12           HB       VAL  12   7.105  -1.206   1.393
   85   1HG1  VAL  12          1HG1      VAL  12   6.742   1.473  -0.017
   86   2HG1  VAL  12          2HG1      VAL  12   5.630   0.091  -0.083
   87   3HG1  VAL  12          3HG1      VAL  12   5.890   0.913   1.443
   88   1HG2  VAL  12          2HG2      VAL  12   8.910  -1.585  -0.239
   89   2HG2  VAL  12          3HG2      VAL  12   7.265  -1.597  -0.921
   90   3HG2  VAL  12          1HG2      VAL  12   8.304  -0.193  -1.182
   91    H    SER  13           HN       SER  13  10.139   0.380  -0.400
   92    HA   SER  13           HA       SER  13  11.615   2.571   0.389
   93   1HB   SER  13          2HB       SER  13  12.172   0.862  -1.424
   94   2HB   SER  13          3HB       SER  13  11.283   1.898  -2.558
   95    HG   SER  13           HG       SER  13  13.499   2.605  -0.904
   96    H    LYS  14           HN       LYS  14  11.865   4.670  -0.394
   97    HA   LYS  14           HA       LYS  14   9.646   6.079   0.457
   98   1HB   LYS  14          2HB       LYS  14  12.077   7.155  -1.028
   99   2HB   LYS  14          3HB       LYS  14  10.967   8.086  -0.008
  100   1HG   LYS  14          2HG       LYS  14  11.569   6.568   1.943
  101   2HG   LYS  14          3HG       LYS  14  12.775   5.791   0.908
  102   1HD   LYS  14          2HD       LYS  14  13.956   7.367   2.149
  103   2HD   LYS  14          3HD       LYS  14  13.843   8.003   0.503
  104   1HE   LYS  14          2HE       LYS  14  12.387   9.698   1.071
  105   2HE   LYS  14          3HE       LYS  14  11.746   8.892   2.514
  106   1HZ   LYS  14          1HZ       LYS  14  14.531   9.767   2.417
  107   2HZ   LYS  14          2HZ       LYS  14  13.355  10.843   2.781
  108   3HZ   LYS  14          3HZ       LYS  14  13.575   9.517   3.739
  109    H    THR  15           HN       THR  15  10.850   5.708  -2.898
  110    HA   THR  15           HA       THR  15   8.091   6.381  -3.799
  111    HB   THR  15           HB       THR  15   8.964   7.551  -5.730
  112    HG1  THR  15          1HG       THR  15  11.058   7.996  -6.006
  113   1HG2  THR  15          3HG2      THR  15   8.446   8.836  -3.634
  114   2HG2  THR  15          1HG2      THR  15  10.156   8.732  -3.164
  115   3HG2  THR  15          2HG2      THR  15   9.707   9.609  -4.625
  116    H    ALA  16           HN       ALA  16   8.813   3.903  -3.096
  117    HA   ALA  16           HA       ALA  16  10.118   2.207  -4.817
  118   1HB   ALA  16          2HB       ALA  16   7.462   1.797  -3.396
  119   2HB   ALA  16          3HB       ALA  16   8.437   0.491  -4.088
  120   3HB   ALA  16          1HB       ALA  16   9.069   1.447  -2.738
  121    H    GLU  17           HN       GLU  17   9.747   1.213  -6.855
  122    HA   GLU  17           HA       GLU  17   7.593   1.957  -8.550
  123   1HB   GLU  17          2HB       GLU  17   9.914   0.942  -9.127
  124   2HB   GLU  17          3HB       GLU  17   9.261  -0.610  -8.569
  125   1HG   GLU  17          2HG       GLU  17   7.399  -0.311 -10.222
  126   2HG   GLU  17          3HG       GLU  17   8.169   1.209 -10.733
  127    H    GLU  18           HN       GLU  18   5.833   0.627  -9.095
  128    HA   GLU  18           HA       GLU  18   4.273  -0.373  -7.059
  129   1HB   GLU  18          2HB       GLU  18   3.677   0.198  -9.564
  130   2HB   GLU  18          3HB       GLU  18   4.294  -1.382  -9.967
  131   1HG   GLU  18          2HG       GLU  18   2.443  -1.844  -7.834
  132   2HG   GLU  18          3HG       GLU  18   1.697  -0.625  -8.862
  133    H    ARG  19           HN       ARG  19   6.758  -1.999  -9.024
  134    HA   ARG  19           HA       ARG  19   6.136  -4.666  -8.559
  135   1HB   ARG  19          2HB       ARG  19   8.088  -3.462  -9.916
  136   2HB   ARG  19          3HB       ARG  19   9.035  -3.778  -8.451
  137   1HG   ARG  19          2HG       ARG  19   8.259  -6.202  -8.628
  138   2HG   ARG  19          3HG       ARG  19   7.445  -5.748 -10.138
  139   1HD   ARG  19          2HD       ARG  19   9.777  -4.890 -10.914
  140   2HD   ARG  19          3HD       ARG  19  10.414  -5.824  -9.546
  141    HE   ARG  19           HE       ARG  19   8.532  -7.103 -11.495
  142   1HH1  ARG  19          2HH2      ARG  19  11.949  -6.731 -10.629
  143   2HH1  ARG  19          1HH2      ARG  19  12.375  -8.339 -11.157
  144   1HH2  ARG  19          2HH1      ARG  19   9.078  -8.831 -12.526
  145   2HH2  ARG  19          1HH1      ARG  19  10.740  -9.224 -12.872
  146    H    GLU  20           HN       GLU  20   8.013  -2.436  -6.443
  147    HA   GLU  20           HA       GLU  20   8.501  -4.604  -4.532
  148   1HB   GLU  20          2HB       GLU  20  10.182  -2.854  -4.917
  149   2HB   GLU  20          3HB       GLU  20   9.085  -1.635  -4.259
  150   1HG   GLU  20          2HG       GLU  20   9.074  -2.693  -2.104
  151   2HG   GLU  20          3HG       GLU  20   9.840  -4.151  -2.725
  152    H    ILE  21           HN       ILE  21   6.291  -1.855  -4.977
  153    HA   ILE  21           HA       ILE  21   4.907  -1.992  -2.486
  154    HB   ILE  21           HB       ILE  21   3.855  -1.456  -5.295
  155   1HG1  ILE  21          2HG1      ILE  21   5.628   0.147  -4.720
  156   2HG1  ILE  21          3HG1      ILE  21   4.052   0.919  -4.755
  157   1HG2  ILE  21          1HG2      ILE  21   2.499  -1.097  -2.662
  158   2HG2  ILE  21          2HG2      ILE  21   2.110  -0.081  -4.076
  159   3HG2  ILE  21          3HG2      ILE  21   1.939  -1.832  -4.179
  160   1HD1  ILE  21          3HD1      ILE  21   3.945   0.664  -2.247
  161   2HD1  ILE  21          1HD1      ILE  21   5.609   0.011  -2.307
  162   3HD1  ILE  21          2HD1      ILE  21   5.292   1.661  -2.833
  163    H    ARG  22           HN       ARG  22   4.652  -3.996  -5.405
  164    HA   ARG  22           HA       ARG  22   2.377  -5.456  -4.547
  165   1HB   ARG  22          2HB       ARG  22   4.266  -5.509  -6.784
  166   2HB   ARG  22          3HB       ARG  22   4.158  -7.125  -6.111
  167   1HG   ARG  22          2HG       ARG  22   2.472  -7.009  -7.762
  168   2HG   ARG  22          3HG       ARG  22   1.604  -6.912  -6.212
  169   1HD   ARG  22          2HD       ARG  22   1.683  -4.354  -6.434
  170   2HD   ARG  22          3HD       ARG  22   2.500  -4.539  -7.955
  171    HE   ARG  22           HE       ARG  22  -0.357  -4.927  -7.346
  172   1HH1  ARG  22          2HH2      ARG  22   2.086  -5.005  -9.875
  173   2HH1  ARG  22          1HH2      ARG  22   1.126  -5.904 -11.012
  174   1HH2  ARG  22          2HH1      ARG  22  -1.829  -5.280  -9.089
  175   2HH2  ARG  22          1HH1      ARG  22  -1.218  -5.815 -10.623
  176    H    LYS  23           HN       LYS  23   5.897  -5.953  -3.985
  177    HA   LYS  23           HA       LYS  23   5.598  -8.342  -2.583
  178   1HB   LYS  23          2HB       LYS  23   7.809  -6.323  -2.746
  179   2HB   LYS  23          3HB       LYS  23   7.817  -7.475  -1.417
  180   1HG   LYS  23          2HG       LYS  23   9.117  -8.345  -3.206
  181   2HG   LYS  23          3HG       LYS  23   7.698  -9.380  -2.956
  182   1HD   LYS  23          2HD       LYS  23   6.593  -8.419  -4.934
  183   2HD   LYS  23          3HD       LYS  23   7.816  -7.149  -4.985
  184   1HE   LYS  23          2HE       LYS  23   9.550  -9.105  -5.320
  185   2HE   LYS  23          3HE       LYS  23   8.128 -10.108  -5.669
  186   1HZ   LYS  23          1HZ       LYS  23   7.637  -8.472  -7.470
  187   2HZ   LYS  23          2HZ       LYS  23   9.073  -7.718  -7.089
  188   3HZ   LYS  23          3HZ       LYS  23   9.077  -9.247  -7.647
  189    H    ALA  24           HN       ALA  24   5.748  -4.911  -1.459
  190    HA   ALA  24           HA       ALA  24   5.576  -5.430   1.321
  191   1HB   ALA  24          3HB       ALA  24   6.031  -3.191   0.341
  192   2HB   ALA  24          1HB       ALA  24   4.338  -3.087  -0.193
  193   3HB   ALA  24          2HB       ALA  24   4.722  -3.171   1.541
  194    H    TYR  25           HN       TYR  25   2.957  -4.779  -1.018
  195    HA   TYR  25           HA       TYR  25   0.775  -5.139   0.629
  196   1HB   TYR  25          2HB       TYR  25   0.923  -4.431  -1.771
  197   2HB   TYR  25          3HB       TYR  25   1.031  -6.107  -2.272
  198    HD1  TYR  25           HD1      TYR  25  -1.074  -3.822  -0.227
  199    HD2  TYR  25           HD2      TYR  25  -1.009  -6.962  -3.143
  200    HE1  TYR  25           HE1      TYR  25  -3.541  -3.628  -0.466
  201    HE2  TYR  25           HE2      TYR  25  -3.428  -6.631  -3.551
  202    HH   TYR  25           HH       TYR  25  -5.406  -4.464  -1.551
  203    H    LYS  26           HN       LYS  26   2.314  -7.739  -1.351
  204    HA   LYS  26           HA       LYS  26   0.697  -9.778  -0.386
  205   1HB   LYS  26          2HB       LYS  26   1.950 -11.178  -1.640
  206   2HB   LYS  26          3HB       LYS  26   2.593  -9.668  -2.267
  207   1HG   LYS  26          2HG       LYS  26   4.507  -9.905  -0.625
  208   2HG   LYS  26          3HG       LYS  26   3.900 -11.501  -0.215
  209   1HD   LYS  26          2HD       LYS  26   4.794 -10.530  -2.982
  210   2HD   LYS  26          3HD       LYS  26   5.744 -11.489  -1.843
  211   1HE   LYS  26          2HE       LYS  26   3.636 -13.143  -1.991
  212   2HE   LYS  26          3HE       LYS  26   3.354 -12.292  -3.522
  213   1HZ   LYS  26          2HZ       LYS  26   5.686 -12.934  -4.116
  214   2HZ   LYS  26          3HZ       LYS  26   5.807 -13.735  -2.709
  215   3HZ   LYS  26          1HZ       LYS  26   4.727 -14.241  -3.846
  216    H    ARG  27           HN       ARG  27   3.706  -8.434   0.953
  217    HA   ARG  27           HA       ARG  27   4.101 -10.390   2.945
  218   1HB   ARG  27          2HB       ARG  27   5.839  -8.723   2.282
  219   2HB   ARG  27          3HB       ARG  27   4.892  -7.451   3.051
  220   1HG   ARG  27          2HG       ARG  27   6.530  -7.992   4.625
  221   2HG   ARG  27          3HG       ARG  27   5.067  -8.756   5.244
  222   1HD   ARG  27          2HD       ARG  27   5.906 -10.953   4.164
  223   2HD   ARG  27          3HD       ARG  27   7.360 -10.076   3.728
  224    HE   ARG  27           HE       ARG  27   8.049  -9.934   5.955
  225   1HH1  ARG  27          2HH2      ARG  27   4.903 -11.640   5.801
  226   2HH1  ARG  27          1HH2      ARG  27   5.050 -12.235   7.431
  227   1HH2  ARG  27          2HH1      ARG  27   8.265 -10.899   7.964
  228   2HH2  ARG  27          1HH1      ARG  27   6.962 -11.780   8.710
  229    H    LEU  28           HN       LEU  28   2.643  -7.085   3.252
  230    HA   LEU  28           HA       LEU  28   1.933  -7.353   5.963
  231   1HB   LEU  28          2HB       LEU  28   0.824  -5.610   3.709
  232   2HB   LEU  28          3HB       LEU  28   0.147  -5.630   5.332
  233    HG   LEU  28           HG       LEU  28   2.596  -5.194   6.174
  234   1HD1  LEU  28          1HD1      LEU  28   2.631  -4.163   3.297
  235   2HD1  LEU  28          2HD1      LEU  28   3.772  -3.670   4.551
  236   3HD1  LEU  28          3HD1      LEU  28   3.745  -5.355   4.038
  237   1HD2  LEU  28          2HD2      LEU  28   0.922  -3.048   4.841
  238   2HD2  LEU  28          3HD2      LEU  28   0.732  -3.657   6.512
  239   3HD2  LEU  28          1HD2      LEU  28   2.187  -2.771   6.054
  240    H    ALA  29           HN       ALA  29  -0.010  -7.976   3.008
  241    HA   ALA  29           HA       ALA  29  -2.450  -8.539   4.243
  242   1HB   ALA  29          2HB       ALA  29  -1.221  -9.800   1.741
  243   2HB   ALA  29          3HB       ALA  29  -2.941  -9.848   2.182
  244   3HB   ALA  29          1HB       ALA  29  -2.160  -8.294   1.820
  245    H    MET  30           HN       MET  30   0.150 -10.908   3.366
  246    HA   MET  30           HA       MET  30  -1.226 -13.021   4.748
  247   1HB   MET  30          2HB       MET  30   1.543 -12.837   3.569
  248   2HB   MET  30          3HB       MET  30   0.863 -14.315   4.281
  249   1HG   MET  30          2HG       MET  30  -1.037 -14.162   2.657
  250   2HG   MET  30          3HG       MET  30  -0.239 -12.785   1.887
  251   1HE   MET  30          3HE       MET  30   2.135 -12.974   0.697
  252   2HE   MET  30          1HE       MET  30   2.891 -13.855   2.050
  253   3HE   MET  30          2HE       MET  30   2.980 -14.516   0.407
  254    H    LYS  31           HN       LYS  31   0.875 -10.459   5.826
  255    HA   LYS  31           HA       LYS  31   2.173 -11.823   7.947
  256   1HB   LYS  31          2HB       LYS  31   2.661  -9.498   6.954
  257   2HB   LYS  31          3HB       LYS  31   1.440  -8.873   8.045
  258   1HG   LYS  31          2HG       LYS  31   3.431 -10.637   9.391
  259   2HG   LYS  31          3HG       LYS  31   4.177  -9.323   8.496
  260   1HD   LYS  31          2HD       LYS  31   3.847  -8.604  10.738
  261   2HD   LYS  31          3HD       LYS  31   2.780  -7.661   9.692
  262   1HE   LYS  31          2HE       LYS  31   0.840  -9.026  10.369
  263   2HE   LYS  31          3HE       LYS  31   1.890 -10.136  11.276
  264   1HZ   LYS  31          3HZ       LYS  31   2.417  -8.251  12.718
  265   2HZ   LYS  31          1HZ       LYS  31   1.343  -7.311  11.929
  266   3HZ   LYS  31          2HZ       LYS  31   0.811  -8.643  12.732
  267    H    TYR  32           HN       TYR  32  -0.871  -9.887   7.846
  268    HA   TYR  32           HA       TYR  32  -1.686 -11.082  10.448
  269   1HB   TYR  32          2HB       TYR  32  -3.097  -9.245  10.713
  270   2HB   TYR  32          3HB       TYR  32  -1.476  -8.643  10.493
  271    HD1  TYR  32           HD1      TYR  32  -0.883  -7.411   8.363
  272    HD2  TYR  32           HD2      TYR  32  -4.922  -8.560   9.342
  273    HE1  TYR  32           HE1      TYR  32  -1.764  -5.829   6.663
  274    HE2  TYR  32           HE2      TYR  32  -5.777  -7.041   7.603
  275    HH   TYR  32           HH       TYR  32  -5.259  -5.329   6.202
  276    H    HIS  33           HN       HIS  33  -1.689 -12.530   7.997
  277    HA   HIS  33           HA       HIS  33  -3.835 -12.658   6.398
  278   1HB   HIS  33          2HB       HIS  33  -2.007 -14.310   6.426
  279   2HB   HIS  33          3HB       HIS  33  -2.667 -15.043   7.884
  280    HD1  HIS  33           HD1      HIS  33  -4.722 -16.730   7.498
  281    HD2  HIS  33           HD2      HIS  33  -3.459 -14.564   4.110
  282    HE1  HIS  33           HE1      HIS  33  -5.929 -17.738   5.494
  283    HA   PRO  34           HA       PRO  34  -7.011 -12.747   9.622
  284   1HB   PRO  34          2HB       PRO  34  -9.221 -12.046   8.166
  285   2HB   PRO  34          3HB       PRO  34  -7.869 -10.929   8.477
  286   1HG   PRO  34          2HG       PRO  34  -8.302 -12.660   6.022
  287   2HG   PRO  34          3HG       PRO  34  -8.015 -10.893   6.069
  288   1HD   PRO  34          2HD       PRO  34  -5.987 -12.661   5.657
  289   2HD   PRO  34          3HD       PRO  34  -5.733 -11.198   6.660
  290    H    ASP  35           HN       ASP  35  -6.298 -15.136   9.443
  291    HA   ASP  35           HA       ASP  35  -6.857 -17.065   7.801
  292   1HB   ASP  35          2HB       ASP  35  -5.570 -17.387   9.830
  293   2HB   ASP  35          3HB       ASP  35  -7.021 -17.278  10.830
  294    H    ARG  36           HN       ARG  36  -9.145 -17.060  10.551
  295    HA   ARG  36           HA       ARG  36 -11.325 -16.804   8.584
  296   1HB   ARG  36          2HB       ARG  36 -12.778 -18.352   9.898
  297   2HB   ARG  36          3HB       ARG  36 -11.423 -19.001   8.968
  298   1HG   ARG  36          2HG       ARG  36 -10.107 -19.108  11.206
  299   2HG   ARG  36          3HG       ARG  36 -11.672 -18.869  11.965
  300   1HD   ARG  36          2HD       ARG  36 -12.185 -21.047  11.697
  301   2HD   ARG  36          3HD       ARG  36 -12.002 -20.956   9.953
  302    HE   ARG  36           HE       ARG  36 -10.211 -22.159  11.836
  303   1HH1  ARG  36          2HH2      ARG  36 -10.139 -20.356   8.776
  304   2HH1  ARG  36          1HH2      ARG  36  -8.426 -20.512   8.601
  305   1HH2  ARG  36          2HH1      ARG  36  -7.963 -22.515  11.448
  306   2HH2  ARG  36          1HH1      ARG  36  -7.252 -21.430  10.325
  307    H    ASN  37           HN       ASN  37 -10.125 -14.713   9.666
  308    HA   ASN  37           HA       ASN  37 -11.547 -13.913  12.151
  309   1HB   ASN  37          2HB       ASN  37  -9.556 -12.457  10.380
  310   2HB   ASN  37          3HB       ASN  37 -10.347 -11.734  11.775
  311   1HD2  ASN  37          2HD2      ASN  37  -8.447 -13.495  14.216
  312   2HD2  ASN  37          1HD2      ASN  37  -9.915 -12.578  13.934
  313    H    GLN  38           HN       GLN  38 -13.389 -14.648  10.476
  314    HA   GLN  38           HA       GLN  38 -14.310 -12.693   8.547
  315   1HB   GLN  38          2HB       GLN  38 -16.335 -14.171   8.538
  316   2HB   GLN  38          3HB       GLN  38 -14.823 -14.975   8.138
  317   1HG   GLN  38          2HG       GLN  38 -14.923 -16.393   9.895
  318   2HG   GLN  38          3HG       GLN  38 -15.393 -15.140  11.044
  319   1HE2  GLN  38          2HE2      GLN  38 -18.928 -15.489  10.480
  320   2HE2  GLN  38          1HE2      GLN  38 -17.688 -14.246  10.684
  321    H    GLY  39           HN       GLY  39 -14.102 -10.891  10.096
  322   1HA   GLY  39          1HA       GLY  39 -16.490  -9.793  11.000
  323   2HA   GLY  39          2HA       GLY  39 -15.856 -10.704  12.381
  324    H    ASP  40           HN       ASP  40 -12.953 -10.117  11.276
  325    HA   ASP  40           HA       ASP  40 -12.616  -7.884  12.914
  326   1HB   ASP  40          2HB       ASP  40 -10.986  -9.689  12.767
  327   2HB   ASP  40          3HB       ASP  40 -10.567  -9.177  11.115
  328    H    LYS  41           HN       LYS  41 -13.248  -5.928  12.254
  329    HA   LYS  41           HA       LYS  41 -13.061  -5.095   9.417
  330   1HB   LYS  41          2HB       LYS  41 -15.181  -4.914  10.566
  331   2HB   LYS  41          3HB       LYS  41 -14.485  -3.846  11.789
  332   1HG   LYS  41          2HG       LYS  41 -14.069  -3.023   8.927
  333   2HG   LYS  41          3HG       LYS  41 -15.738  -3.097   9.447
  334   1HD   LYS  41          2HD       LYS  41 -15.659  -1.356  10.813
  335   2HD   LYS  41          3HD       LYS  41 -13.996  -1.619  11.367
  336   1HE   LYS  41          2HE       LYS  41 -14.635  -0.705   8.530
  337   2HE   LYS  41          3HE       LYS  41 -14.615   0.446   9.876
  338   1HZ   LYS  41          2HZ       LYS  41 -12.308  -1.287   9.289
  339   2HZ   LYS  41          3HZ       LYS  41 -12.473   0.277   8.725
  340   3HZ   LYS  41          1HZ       LYS  41 -12.378  -0.001  10.309
  341    H    GLU  42           HN       GLU  42 -11.055  -4.927  12.278
  342    HA   GLU  42           HA       GLU  42 -10.077  -2.291  11.823
  343   1HB   GLU  42          2HB       GLU  42 -10.489  -3.272  14.034
  344   2HB   GLU  42          3HB       GLU  42  -9.436  -4.649  13.711
  345   1HG   GLU  42          2HG       GLU  42  -7.526  -3.305  13.531
  346   2HG   GLU  42          3HG       GLU  42  -8.545  -1.866  13.335
  347    H    ALA  43           HN       ALA  43  -9.097  -5.780  11.544
  348    HA   ALA  43           HA       ALA  43  -6.820  -5.540  10.128
  349   1HB   ALA  43          2HB       ALA  43  -9.075  -7.565   9.805
  350   2HB   ALA  43          3HB       ALA  43  -7.447  -7.780   9.137
  351   3HB   ALA  43          1HB       ALA  43  -7.668  -7.683  10.890
  352    H    GLU  44           HN       GLU  44 -10.191  -5.425   8.966
  353    HA   GLU  44           HA       GLU  44  -9.668  -5.111   6.205
  354   1HB   GLU  44          2HB       GLU  44 -11.921  -5.529   7.407
  355   2HB   GLU  44          3HB       GLU  44 -11.978  -3.768   7.640
  356   1HG   GLU  44          2HG       GLU  44 -13.095  -3.923   5.671
  357   2HG   GLU  44          3HG       GLU  44 -11.469  -3.730   5.017
  358    H    ALA  45           HN       ALA  45 -10.036  -2.671   8.850
  359    HA   ALA  45           HA       ALA  45  -9.843  -0.405   7.248
  360   1HB   ALA  45          1HB       ALA  45 -10.288  -0.710   9.887
  361   2HB   ALA  45          2HB       ALA  45  -8.550  -0.507  10.022
  362   3HB   ALA  45          3HB       ALA  45  -9.524   0.778   9.311
  363    H    LYS  46           HN       LYS  46  -7.386  -2.372   8.851
  364    HA   LYS  46           HA       LYS  46  -5.125  -0.894   8.011
  365   1HB   LYS  46          2HB       LYS  46  -5.272  -2.721   9.807
  366   2HB   LYS  46          3HB       LYS  46  -5.112  -3.909   8.502
  367   1HG   LYS  46          2HG       LYS  46  -3.003  -2.826   7.813
  368   2HG   LYS  46          3HG       LYS  46  -3.241  -1.546   9.000
  369   1HD   LYS  46          2HD       LYS  46  -3.005  -3.112  10.838
  370   2HD   LYS  46          3HD       LYS  46  -2.783  -4.469   9.714
  371   1HE   LYS  46          2HE       LYS  46  -0.693  -3.621   8.911
  372   2HE   LYS  46          3HE       LYS  46  -0.960  -2.001   9.578
  373   1HZ   LYS  46          1HZ       LYS  46  -0.687  -4.330  11.329
  374   2HZ   LYS  46          2HZ       LYS  46   0.626  -3.460  10.810
  375   3HZ   LYS  46          3HZ       LYS  46  -0.520  -2.747  11.711
  376    H    PHE  47           HN       PHE  47  -6.857  -3.589   6.461
  377    HA   PHE  47           HA       PHE  47  -5.267  -3.616   4.090
  378   1HB   PHE  47          2HB       PHE  47  -6.799  -5.435   4.491
  379   2HB   PHE  47          3HB       PHE  47  -8.189  -4.364   4.481
  380    HD1  PHE  47          1HD       PHE  47  -5.695  -6.047   2.337
  381    HD2  PHE  47          2HD       PHE  47  -9.082  -3.376   2.427
  382    HE1  PHE  47          1HE       PHE  47  -6.007  -6.353  -0.096
  383    HE2  PHE  47          2HE       PHE  47  -9.351  -3.634  -0.017
  384    HZ   PHE  47           HZ       PHE  47  -7.846  -5.166  -1.277
  385    H    LYS  48           HN       LYS  48  -7.849  -1.326   5.151
  386    HA   LYS  48           HA       LYS  48  -8.303  -0.343   2.527
  387   1HB   LYS  48          2HB       LYS  48  -8.790   1.077   5.165
  388   2HB   LYS  48          3HB       LYS  48  -9.230   1.687   3.564
  389   1HG   LYS  48          2HG       LYS  48 -10.604  -0.195   3.089
  390   2HG   LYS  48          3HG       LYS  48 -10.081  -1.009   4.564
  391   1HD   LYS  48          2HD       LYS  48 -11.084   1.070   5.801
  392   2HD   LYS  48          3HD       LYS  48 -11.800   1.510   4.256
  393   1HE   LYS  48          2HE       LYS  48 -12.269  -1.101   5.808
  394   2HE   LYS  48          3HE       LYS  48 -13.404   0.249   5.680
  395   1HZ   LYS  48          1HZ       LYS  48 -13.545  -0.189   3.298
  396   2HZ   LYS  48          2HZ       LYS  48 -12.547  -1.478   3.438
  397   3HZ   LYS  48          3HZ       LYS  48 -13.999  -1.468   4.211
  398    H    GLU  49           HN       GLU  49  -6.311   0.963   5.244
  399    HA   GLU  49           HA       GLU  49  -5.156   3.119   3.786
  400   1HB   GLU  49          2HB       GLU  49  -4.133   1.461   6.145
  401   2HB   GLU  49          3HB       GLU  49  -3.290   2.853   5.467
  402   1HG   GLU  49          2HG       GLU  49  -5.255   4.291   5.887
  403   2HG   GLU  49          3HG       GLU  49  -6.091   2.911   6.650
  404    H    ILE  50           HN       ILE  50  -4.061  -0.259   4.292
  405    HA   ILE  50           HA       ILE  50  -1.668  -0.004   2.797
  406    HB   ILE  50           HB       ILE  50  -3.399  -2.419   3.381
  407   1HG1  ILE  50          2HG1      ILE  50  -0.723  -1.569   4.581
  408   2HG1  ILE  50          3HG1      ILE  50  -2.249  -1.093   5.302
  409   1HG2  ILE  50          3HG2      ILE  50  -0.557  -2.329   2.255
  410   2HG2  ILE  50          1HG2      ILE  50  -1.403  -3.798   2.758
  411   3HG2  ILE  50          2HG2      ILE  50  -2.024  -2.869   1.416
  412   1HD1  ILE  50          3HD1      ILE  50  -2.948  -3.433   5.533
  413   2HD1  ILE  50          1HD1      ILE  50  -1.412  -3.995   4.872
  414   3HD1  ILE  50          2HD1      ILE  50  -1.427  -3.103   6.393
  415    H    LYS  51           HN       LYS  51  -4.985  -0.954   1.700
  416    HA   LYS  51           HA       LYS  51  -4.319  -1.475  -0.995
  417   1HB   LYS  51          2HB       LYS  51  -6.378  -2.211  -0.058
  418   2HB   LYS  51          3HB       LYS  51  -6.872  -0.578   0.367
  419   1HG   LYS  51          2HG       LYS  51  -8.068  -1.470  -1.604
  420   2HG   LYS  51          3HG       LYS  51  -7.248   0.058  -1.878
  421   1HD   LYS  51          2HD       LYS  51  -5.382  -1.208  -3.042
  422   2HD   LYS  51          3HD       LYS  51  -6.342  -2.682  -2.841
  423   1HE   LYS  51          2HE       LYS  51  -8.143  -1.741  -4.182
  424   2HE   LYS  51          3HE       LYS  51  -7.378  -0.154  -4.248
  425   1HZ   LYS  51          1HZ       LYS  51  -6.143  -2.554  -5.455
  426   2HZ   LYS  51          2HZ       LYS  51  -7.181  -1.534  -6.223
  427   3HZ   LYS  51          3HZ       LYS  51  -5.783  -0.937  -5.760
  428    H    GLU  52           HN       GLU  52  -5.295   1.530   0.719
  429    HA   GLU  52           HA       GLU  52  -5.468   3.066  -1.662
  430   1HB   GLU  52          2HB       GLU  52  -6.384   3.654   0.662
  431   2HB   GLU  52          3HB       GLU  52  -4.741   4.077   1.146
  432   1HG   GLU  52          2HG       GLU  52  -4.685   5.744  -0.745
  433   2HG   GLU  52          3HG       GLU  52  -6.377   5.347  -1.091
  434    H    ALA  53           HN       ALA  53  -2.815   2.972   0.772
  435    HA   ALA  53           HA       ALA  53  -0.943   4.464  -0.721
  436   1HB   ALA  53          1HB       ALA  53  -0.706   2.298   1.365
  437   2HB   ALA  53          2HB       ALA  53   0.731   3.120   0.691
  438   3HB   ALA  53          3HB       ALA  53  -0.518   4.038   1.564
  439    H    TYR  54           HN       TYR  54  -1.588   0.956  -0.764
  440    HA   TYR  54           HA       TYR  54   0.376   0.128  -2.592
  441   1HB   TYR  54          2HB       TYR  54  -0.861  -1.554  -1.469
  442   2HB   TYR  54          3HB       TYR  54  -2.402  -0.861  -1.955
  443    HD1  TYR  54           HD1      TYR  54  -3.402  -1.204  -4.146
  444    HD2  TYR  54           HD2      TYR  54   0.378  -2.938  -3.120
  445    HE1  TYR  54           HE1      TYR  54  -3.644  -2.811  -6.011
  446    HE2  TYR  54           HE2      TYR  54   0.046  -4.698  -4.846
  447    HH   TYR  54           HH       TYR  54  -2.715  -4.574  -7.118
  448    H    GLU  55           HN       GLU  55  -2.929   1.563  -3.231
  449    HA   GLU  55           HA       GLU  55  -2.867   0.873  -6.022
  450   1HB   GLU  55          2HB       GLU  55  -4.885   0.706  -4.680
  451   2HB   GLU  55          3HB       GLU  55  -4.560   2.287  -4.023
  452   1HG   GLU  55          2HG       GLU  55  -6.287   2.546  -5.409
  453   2HG   GLU  55          3HG       GLU  55  -4.867   3.428  -6.049
  454    H    VAL  56           HN       VAL  56  -2.220   3.588  -3.852
  455    HA   VAL  56           HA       VAL  56  -2.143   5.770  -5.668
  456    HB   VAL  56           HB       VAL  56  -0.778   5.199  -3.011
  457   1HG1  VAL  56          3HG1      VAL  56  -0.596   7.612  -4.777
  458   2HG1  VAL  56          1HG1      VAL  56  -0.563   7.781  -3.021
  459   3HG1  VAL  56          2HG1      VAL  56   0.670   6.806  -3.842
  460   1HG2  VAL  56          2HG2      VAL  56  -3.453   5.727  -3.463
  461   2HG2  VAL  56          3HG2      VAL  56  -2.550   6.035  -1.961
  462   3HG2  VAL  56          1HG2      VAL  56  -2.807   7.336  -3.095
  463    H    LEU  57           HN       LEU  57   0.440   3.708  -4.249
  464    HA   LEU  57           HA       LEU  57   2.521   5.132  -5.504
  465   1HB   LEU  57          2HB       LEU  57   2.358   2.565  -3.928
  466   2HB   LEU  57          3HB       LEU  57   3.914   3.245  -4.410
  467    HG   LEU  57           HG       LEU  57   1.908   4.867  -2.806
  468   1HD1  LEU  57          3HD1      LEU  57   2.658   2.743  -1.708
  469   2HD1  LEU  57          1HD1      LEU  57   4.339   3.306  -1.898
  470   3HD1  LEU  57          2HD1      LEU  57   3.204   4.217  -0.892
  471   1HD2  LEU  57          3HD2      LEU  57   4.746   5.233  -3.861
  472   2HD2  LEU  57          1HD2      LEU  57   3.397   6.386  -3.845
  473   3HD2  LEU  57          2HD2      LEU  57   4.268   6.004  -2.356
  474    H    THR  58           HN       THR  58   1.005   4.090  -7.707
  475    HA   THR  58           HA       THR  58   2.462   1.661  -8.551
  476    HB   THR  58           HB       THR  58   0.316   1.246  -9.671
  477    HG1  THR  58          1HG       THR  58  -1.251   2.986  -8.521
  478   1HG2  THR  58          1HG2      THR  58   0.847   0.653  -7.215
  479   2HG2  THR  58          2HG2      THR  58   0.009   2.117  -6.752
  480   3HG2  THR  58          3HG2      THR  58  -0.883   0.829  -7.565
  481    H    ASP  59           HN       ASP  59   2.905   4.774  -9.192
  482    HA   ASP  59           HA       ASP  59   3.227   6.190 -10.916
  483   1HB   ASP  59          2HB       ASP  59   5.042   5.012 -11.817
  484   2HB   ASP  59          3HB       ASP  59   4.003   3.702 -12.402
  485    H    SER  60           HN       SER  60   1.402   7.180 -11.342
  486    HA   SER  60           HA       SER  60  -0.643   6.307 -13.149
  487   1HB   SER  60          2HB       SER  60  -1.210   4.656 -11.506
  488   2HB   SER  60          3HB       SER  60  -0.895   5.751 -10.180
  489    HG   SER  60           HG       SER  60  -3.096   5.551 -10.443
  490    H    GLN  61           HN       GLN  61  -1.829   7.870 -10.295
  491    HA   GLN  61           HA       GLN  61  -1.207  10.551 -11.464
  492   1HB   GLN  61          2HB       GLN  61  -3.495   9.917 -11.673
  493   2HB   GLN  61          3HB       GLN  61  -3.622   9.459  -9.965
  494   1HG   GLN  61          2HG       GLN  61  -3.523  11.634  -9.210
  495   2HG   GLN  61          3HG       GLN  61  -2.607  12.198 -10.623
  496   1HE2  GLN  61          2HE2      GLN  61  -6.630  12.511 -10.748
  497   2HE2  GLN  61          1HE2      GLN  61  -5.795  11.957  -9.292
  498    H    LYS  62           HN       LYS  62  -2.213   9.176  -8.294
  499    HA   LYS  62           HA       LYS  62  -0.855  11.336  -6.949
  500   1HB   LYS  62          2HB       LYS  62  -1.690  10.092  -4.881
  501   2HB   LYS  62          3HB       LYS  62  -2.894  10.675  -6.016
  502   1HG   LYS  62          2HG       LYS  62  -2.024   7.922  -6.539
  503   2HG   LYS  62          3HG       LYS  62  -2.859   8.164  -5.022
  504   1HD   LYS  62          2HD       LYS  62  -4.097   9.223  -7.570
  505   2HD   LYS  62          3HD       LYS  62  -4.295   7.544  -7.047
  506   1HE   LYS  62          2HE       LYS  62  -5.257   8.269  -4.906
  507   2HE   LYS  62          3HE       LYS  62  -5.034   9.969  -5.339
  508   1HZ   LYS  62          1HZ       LYS  62  -6.731   8.020  -6.745
  509   2HZ   LYS  62          2HZ       LYS  62  -7.269   9.179  -5.717
  510   3HZ   LYS  62          3HZ       LYS  62  -6.579   9.616  -7.161
  511    H    ARG  63           HN       ARG  63   0.878   9.468  -8.464
  512    HA   ARG  63           HA       ARG  63   2.970   9.042  -6.421
  513   1HB   ARG  63          2HB       ARG  63   1.881   6.906  -6.895
  514   2HB   ARG  63          3HB       ARG  63   2.319   7.007  -8.603
  515   1HG   ARG  63          2HG       ARG  63   4.208   6.881  -6.186
  516   2HG   ARG  63          3HG       ARG  63   3.760   5.543  -7.251
  517   1HD   ARG  63          2HD       ARG  63   4.821   6.830  -9.172
  518   2HD   ARG  63          3HD       ARG  63   5.584   7.818  -7.914
  519    HE   ARG  63           HE       ARG  63   6.046   5.222  -7.080
  520   1HH1  ARG  63          2HH2      ARG  63   6.814   7.057  -9.978
  521   2HH1  ARG  63          1HH2      ARG  63   8.269   6.215 -10.328
  522   1HH2  ARG  63          2HH1      ARG  63   7.928   4.129  -7.441
  523   2HH2  ARG  63          1HH1      ARG  63   8.939   4.400  -8.813
  524    H    ALA  64           HN       ALA  64   2.048   9.084  -9.933
  525    HA   ALA  64           HA       ALA  64   4.508  10.055 -10.971
  526   1HB   ALA  64          1HB       ALA  64   2.661   9.221 -12.374
  527   2HB   ALA  64          2HB       ALA  64   1.652  10.607 -11.878
  528   3HB   ALA  64          3HB       ALA  64   3.126  10.871 -12.834
  529    H    ALA  65           HN       ALA  65   1.722  11.750  -9.470
  530    HA   ALA  65           HA       ALA  65   2.602  14.369  -9.673
  531   1HB   ALA  65          2HB       ALA  65   0.380  13.715  -8.841
  532   2HB   ALA  65          3HB       ALA  65   1.114  13.020  -7.377
  533   3HB   ALA  65          1HB       ALA  65   1.204  14.767  -7.676
  534    H    TYR  66           HN       TYR  66   3.519  11.812  -7.337
  535    HA   TYR  66           HA       TYR  66   5.047  13.502  -5.609
  536   1HB   TYR  66          2HB       TYR  66   4.142  11.224  -5.025
  537   2HB   TYR  66          3HB       TYR  66   5.409  10.506  -6.014
  538    HD1  TYR  66           HD1      TYR  66   7.911  11.345  -5.492
  539    HD2  TYR  66           HD2      TYR  66   4.606  11.330  -2.719
  540    HE1  TYR  66           HE1      TYR  66   9.439  11.917  -3.667
  541    HE2  TYR  66           HE2      TYR  66   6.227  11.522  -0.847
  542    HH   TYR  66           HH       TYR  66   9.598  12.485  -1.460
  543    H    ASP  67           HN       ASP  67   5.877  11.248  -8.311
  544    HA   ASP  67           HA       ASP  67   8.616  11.567  -8.462
  545   1HB   ASP  67          2HB       ASP  67   6.376  11.085 -10.464
  546   2HB   ASP  67          3HB       ASP  67   8.041  11.068 -10.916
  547    H    GLN  68           HN       GLN  68   5.933  13.628  -9.792
  548    HA   GLN  68           HA       GLN  68   7.724  15.319 -11.253
  549   1HB   GLN  68          2HB       GLN  68   4.867  14.958 -10.949
  550   2HB   GLN  68          3HB       GLN  68   5.242  16.617 -10.623
  551   1HG   GLN  68          2HG       GLN  68   6.018  15.055 -13.139
  552   2HG   GLN  68          3HG       GLN  68   4.728  16.234 -12.978
  553   1HE2  GLN  68          2HE2      GLN  68   8.652  17.422 -13.354
  554   2HE2  GLN  68          1HE2      GLN  68   8.077  15.805 -13.683
  555    H    TYR  69           HN       TYR  69   5.629  16.020  -8.411
  556    HA   TYR  69           HA       TYR  69   7.803  17.538  -7.109
  557   1HB   TYR  69          2HB       TYR  69   5.259  18.740  -8.237
  558   2HB   TYR  69          3HB       TYR  69   6.076  19.435  -6.855
  559    HD1  TYR  69           HD1      TYR  69   6.651  18.490 -10.405
  560    HD2  TYR  69           HD2      TYR  69   7.816  21.039  -7.164
  561    HE1  TYR  69           HE1      TYR  69   8.398  19.524 -11.853
  562    HE2  TYR  69           HE2      TYR  69   9.530  22.091  -8.612
  563    HH   TYR  69           HH       TYR  69   9.686  22.436 -11.223
  564    H    GLY  70           HN       GLY  70   7.320  15.397  -5.933
  565   1HA   GLY  70          1HA       GLY  70   5.091  15.175  -4.172
  566   2HA   GLY  70          2HA       GLY  70   6.661  14.390  -3.990
  567    H    HIS  71           HN       HIS  71   5.131  17.399  -3.727
  568    HA   HIS  71           HA       HIS  71   5.655  18.174  -1.042
  569   1HB   HIS  71          2HB       HIS  71   7.060  20.242  -1.947
  570   2HB   HIS  71          3HB       HIS  71   7.800  18.737  -1.387
  571    HD1  HIS  71           HD1      HIS  71   8.928  17.133  -3.173
  572    HD2  HIS  71           HD2      HIS  71   7.568  20.872  -4.549
  573    HE1  HIS  71           HE1      HIS  71   9.913  17.456  -5.510
  574    H    ALA  72           HN       ALA  72   5.578  19.781  -4.237
  575    HA   ALA  72           HA       ALA  72   3.308  21.456  -3.355
  576   1HB   ALA  72          3HB       ALA  72   5.311  22.517  -4.392
  577   2HB   ALA  72          1HB       ALA  72   5.049  21.571  -5.869
  578   3HB   ALA  72          2HB       ALA  72   3.845  22.772  -5.358
  579    H    ALA  73           HN       ALA  73   2.611  18.906  -3.500
  580    HA   ALA  73           HA       ALA  73   0.514  19.053  -5.540
  581   1HB   ALA  73          1HB       ALA  73   2.441  16.685  -5.569
  582   2HB   ALA  73          2HB       ALA  73   0.853  16.742  -6.373
  583   3HB   ALA  73          3HB       ALA  73   2.144  17.853  -6.865
  584    H    PHE  74           HN       PHE  74   1.762  16.298  -3.716
  585    HA   PHE  74           HA       PHE  74  -0.813  15.648  -2.731
  586   1HB   PHE  74          2HB       PHE  74   0.173  13.709  -1.900
  587   2HB   PHE  74          3HB       PHE  74   0.946  14.025  -3.442
  588    HD1  PHE  74          1HD       PHE  74   2.901  16.287  -1.879
  589    HD2  PHE  74          2HD       PHE  74   1.822  12.142  -1.226
  590    HE1  PHE  74          1HE       PHE  74   5.037  15.885  -0.760
  591    HE2  PHE  74          2HE       PHE  74   3.943  11.795  -0.044
  592    HZ   PHE  74           HZ       PHE  74   5.619  13.637   0.093
  593    H    GLU  75           HN       GLU  75   0.339  18.211  -1.541
  594    HA   GLU  75           HA       GLU  75   0.831  17.490   1.230
  595   1HB   GLU  75          2HB       GLU  75   1.324  19.781  -0.491
  596   2HB   GLU  75          3HB       GLU  75   0.561  20.296   1.010
  597   1HG   GLU  75          2HG       GLU  75   2.295  18.892   2.245
  598   2HG   GLU  75          3HG       GLU  75   3.097  18.666   0.670
  599    H    GLN  76           HN       GLN  76  -1.902  17.054  -0.081
  600    HA   GLN  76           HA       GLN  76  -3.752  18.969   0.387
  601   1HB   GLN  76          2HB       GLN  76  -3.802  16.194  -0.322
  602   2HB   GLN  76          3HB       GLN  76  -4.952  16.411   0.990
  603   1HG   GLN  76          2HG       GLN  76  -6.196  16.775  -0.953
  604   2HG   GLN  76          3HG       GLN  76  -5.916  18.398  -0.322
  605   1HE2  GLN  76          2HE2      GLN  76  -3.997  19.355  -3.208
  606   2HE2  GLN  76          1HE2      GLN  76  -4.150  19.747  -1.497
   
  No H/Q in entry =         606